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COLLECTION OF SIMULATED XRD

POWDER PATTERNS FOR ZEOLITES

M. M. J. Treacy and J. B. Higgins

FIFTH REVISED EDITION2007

Published on behalf of the Structure Commissionof the International Zeolite Association

TABLE OF CONTENTS

Preface . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . .PPP1

Explanatory Notes . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . PPP2

Powder Pattern Identification Table . . . . . . . . . . . . . . . . . . . . . . . . . PPP3

Powder Patterns . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . PPP4

Powder Pattern Simulations of Disordered Intergrowths . . . . . .PPP5

Atomic Coordinates . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . PPP6

PREFACE

This fifth edition of the Zeolite Powder Pattern Collection contains calculated patterns of 226

zeolite materials representing 176 framework topologies – an increase of 43 new topologies since the

fourth edition in 2001.

Known Frameworks

1970

50

0

100

150

200

1980

Date

Count

1990 2000 2010

The almost exponential growth of new zeolite topologies, representing a doubling every 14

years on average, reflects the continued success of zeolite synthesis researchers in producing novel

materials. With the publication of thousands of zeolite structures and refinements, this Collection is

obviously not comprehensive. We have attempted to include materials of interest to zeolite scientists

following the policies established at recent IZA conferences. The materials included comprise corner-

sharing tetrahedral frameworks with no restrictions on chemical composition. We have also included

diffraction patterns of several common dense silicate phases to facilitate their detection in mixed

phase syntheses.

The Collection is a source of reference patterns for pure crystalline phases. The data may be

helpful in identifying known zeolitic materials and indexing their diffraction patterns. Because so

many factors related to both the zeolite crystal and the diffraction instrument affect powder diffrac-

tion data, phase identification is not always straightforward and frequently requires additional data.

Considerable care should be exercised in comparing calculated diffraction patterns to experimental

patterns. For example, the use of fixed versus variable incident slits on a powder diffractometer can

drastically change the relative intensities of a diffraction pattern, and it should be emphasized that

calculated patterns are only as accurate as the structure refinements on which they are based.

The numerical data comprises 2θ values for CuKα radiation (λ=1.5418 A), d-spacings, relative

intensities, hkl indices, and multiplicities (Mhkl). In most cases x-ray or neutron refinements of

hydrated or as-synthesized forms are used. Like the previous 4th edition of the Powder Pattern

Collection this edition does not include atomic coordinates and thermal parameters needed to cal-

culate the patterns. This information is available in electronic form with the complete contents of

this edition at:

http://www.iza-structure.org/databases/

This web site also contains an interactive powder pattern calculator that allows the user to

change the input and variables for a powder pattern calculation. This book was typeset using

LATEX with the standard computer modern typeface. The LATEX file and associated postscript plots

were generated with a C++ program written by M. M. J. Treacy. We wish to acknowledge the

assistance and collaboration of the members of the IZA Structure Commission for proofreading the

manuscript and providing additional information. We are indebted to our employers (Arizona State

University, and Air Products & Chemicals, Inc.) for support of this project, and to our wives Laura

and Carol for their patience and support.

Michael M. J. Treacy, Tempe, AZ, USA

John B. Higgins, Allentown, PA, USA

February, 2007

STRUCTURE COMMISSION

MEMBERS

Christian Baerlocher Raul F. LoboWerner H. Baur Lynne B. McCuskerRobert W. Broach Russell E. MorrisAllen W. Burton Wilfried M. MortierDoug L. Dorset Mike O’KeeffeReinhard X. Fischer Osamu TerasakiHermann Gies Michael M. J. TreacyRichard M. Kirchner Henk van Koningsveld

Additional IZA publications:

Atlas of Zeolite Framework Types, 6th revised edition (2007),Ch. Baerlocher, L. B. McCusker and D. H. Olson.

Compilation of Extra Framework Sites in Zeolites (1982),W. J. Mortier. (out of print)

Verified Syntheses of Zeolitic Materials, 2nd revised edition (2001),H. Robson, editor; and K. P. Lillerud, XRD patterns.

See also: http://www.iza-online.org/

EXPLANATORY NOTES

The numerical data and the simulated powder patterns presented in this Collection are to

a great extent self-explanatory. In order to facilitate the use of these reference patterns some

pertinent remarks regarding the keywords used in the data section are summarized below. The

input structural data have been deposited on the worldwide web at:


This Collection, including updates, will be accessible at the above address.

ZEOLITE FRAMEWORK TYPES

The three-letter framework-type codes, recognized by the IUPAC Commission on Zeolite Nomen-

clature, have been used to organize the entries in this publication. The powder diffraction data and

simulated patterns for the reference structures are listed alphabetically according to the respective

framework type code. An index of material names, and associated three-letter codes, is included

in the companion volume, the Atlas of Zeolite Framework Types (Baerlocher, McCusker and Olson

(2007)).

COMPOSITION

Compositions are expressed in terms of the full unit cell content. Two compositions are provided.

The CHEMICAL COMPOSITION is the nominal material composition provided in the original ref-

erence, and is usually obtained from chemical analysis. The REFINED COMPOSITION is derived

from the structure refinement. Because of the complexities of structure refinements, the chemical

and refined compositions do not always concur. When available, refinements of hydrated zeolites

were used to calculate the patterns. For synthetic zeolites, if the zeolite had been synthesized in

the presence of organic material, those refinements of the uncalcined products that contained the

occluded organic molecules were chosen. The sample locality is given in the case of natural zeolites.

CRYSTAL DATA

Crystal data includes lattice parameters and space group information from the International

Tables for Crystallography, 5th revised edition 2002, and incorporates the new e ‘double-glide’

plane. Consequently, some space group symbols will differ from those listed in the original refer-

ences. Three entries in this Collection are affected by this change; EU-1 (EUO) which has space

group symbol Cmme (formerly Cmma); gottardiite (NES) which has space group symbol Cmce

(formerly Cmca); and AlPO-25 (ATV) which has space group symbol Aemm (formerly Acmm).

The type of refinement, along with the final R-values, is listed with the unit cell parameters.

REFERENCE

Reference cites the literature from which the crystal data, atomic coordinates, and displacement

factors were obtained. In many cases there are multiple refinements of the same zeolitic material,

but because of space limitations not all refinements could be included. We would be appreciative if

authors and users would inform us of any errors or omissions. A listing of the references for isotypic

species can be found in the Atlas of Zeolite Framework Types (Baerlocher, McCusker and Olson

(2007)). A list of references to structure analyses of zeolites with different cations, up to 1982, is

given in the Compilation of Extra Framework Sites in Zeolites, Mortier (1982).

POWDER PATTERN IDENTIFICATION TABLE

A table is provided to assist in the identification of powder patterns of unknown materials. The

2θ (◦) values of the three most pronounced low-angle reflections are listed. Usually, these reflections

are simply the three strongest peaks. In many instances, a pronounced low-angle reflection will be

included, even if it is not among the most intense. In the third edition (1996) of the Collection this

table was assembled by visual inspection of the computed powder patterns. For the fourth edition

(2001) and this fifth edition (2007) of the Collection, the table was generated automatically from

the computed diffraction patterns. To achieve good correspondence with the hand-generated table

of the third (1996) edition of the Collection, a peak intensity weighting function W (2θ) was used

W (2θ) = 1 + A exp[−(2θ)2/2σ2

]. (1)

The parameters were set to A = 10, and σ = 7◦. This function is strongly weighted towards the

low angle peaks, particularly those below about 10◦, which, even if relatively weak, tend to offer a

more characteristic fingerprint of a material compared to the abundance of strong peaks that tend

to cluster around 25◦ in most zeolitic materials.

The data for all the materials presented in this work are sorted by increasing 2θ value in the

table. To identify an unknown material, measure the 2θ values of the three most pronounced peaks

(assigning strong weighting to any pronounced low-angle peaks, particularly those below about 10◦)

and find those materials with corresponding reflections at those values. This provides a starting

point for a more detailed comparison of the experimental and calculated patterns.

CALCULATED POWDER DIFFRACTION DATA

The powder diffraction data include the 2θ-values for CuKα radiation, d-spacings, relative in-

tensities Irel, Miller indices hkl and multiplicity Mhkl, for the strongest 135 reflections with an

integrated intensity Irel greater than 0.01. The strongest reflection is set to Irel = 100. The scatter-

ing factors used for the framework T- and O-atoms in the structure factor computations were those

selected by the authors of the original work. If none had been specified, we chose atomic (neutral)

scattering factors. No absorption corrections were applied to the data, and anisotropic displacement

factors were converted to isotropic displacement factors Biso (A2) using equations reported by W.

C. Hamilton, Acta Cryst., 12 609–610 (1959) and with additional explanations by R. X. Fischer

and E. Tillmanns, Acta Cryst. C, 44 775–776 (1988)

Materials with the same framework type code (i.e. framework topology) may have very different

diffraction patterns, so for some framework type codes several different reference materials have

been included. Examples listed under FAU, GIS, MFI and NAT illustrate the extent of the

differences observed in the diffraction patterns of materials with identical framework topologies but

variations in composition and/or symmetry.

SIMULATED POWDER PATTERNS

The powder patterns for CuKα radiation are reproduced from 0◦ to 50◦ 2θ. The patterns,

and associated tables, were calculated using a custom C program written by M. M. J. Treacy.

The intensity scale is kept variable to accommodate extreme situations. The intensity range is

usually plotted between 0 and Imax = 100. If only one or a few peaks are very intense, and the

rest of the pattern consists of low-intensity reflections, Imax is set at a lower value (see ordinate)

to show sufficient detail in the low-intensity region of the pattern. The scale of the ordinate is

always calibrated in percent relative intensity of the maximum peak height. Frequently, the peak

intensities in the plots will not be identical to the integrated intensities listed in the corresponding

tables, because of the possibility of overlapping diffraction peaks. A Lorentzian profile was assumed

for the calculation of the pattern. The full width at half maximum (FWHM) of all peaks was

set to be 0.08◦ 2θ. Many real samples will in general give diffraction patterns with broader lines

due to instrumental broadening, disorder, or small crystallite size. However, synchrotron powder

diffraction data of some zeolite materials exhibit FWHM of less than 0.04◦ 2θ.

Because hydrated forms of natural zeolites or as-synthesized forms were used whenever refined

atomic parameters were available, the plots should be easily comparable to experimental patterns.

In some cases, only structure refinements of dehydrated or calcined forms were available. Significant

differences in the intensities of low-angle peaks may be found when comparing the calculated pattern

to experimental patterns of hydrated or as-synthesized materials.

Finally, a note of caution. The patterns are useful in helping to establish the structural purity

of a zeolite phase, yet they may not always allow one to readily and unambiguously determine the

framework type of the sample. This assignment is often not straightforward and may require more

sophisticated analyses. W. J. Rohrbaugh and E. W. Wu review the factors affecting the diffraction

characteristics of zeolite materials (ACS Symposium Series 411 279–302 (1989)).

POWDER PATTERN SIMULATIONS OF DISORDERED INTERGROWTHS

A number of zeolitic materials crystallize as disordered planar intergrowths of “end-member”

frameworks. Two of the better-studied series are the FAU/EMT intergrowths (such as ZSM-2,

ZSM-3, ZSM-20, ECR-30, CSZ-1 and CSZ-3) and the intergrown zeolite beta and its natural analog

tschernichite. Powder patterns for seven of the more commonly observed coherently intergrown

series were calculated using the DIFFaX computer program (M. M. J. Treacy, J. M. Newsam and

M. W. Deem, Proc. R. Soc. Lond. A 433 499–520 (1991)). Random stacking faults are assumed.

The seven series are; AEI/CHA; the beta family; SSZ-33/SSZ-26; FAU/EMT; MFI/MEL;

OFF/ERI; and the ZSM-48 end-members 6 and 7. The stacking fault probability is incremented

from 0 to 1 in steps of 0.1. Stacking fault probabilities of 0 and 1 represent the unfaulted end-

members.

Additional information on disordered intergrowths can be found in the Catalog of Disordered

Zeolite Structures, which is available electronically at http://www.iza-structure.org/databases/.

CHANGES SINCE THE FOURTH REVISED EDITION

• 43 new framework types have been approved since the fourth revised edition, and are included

in this fifth revised edition. The new framework types are:

BCT BEC CDO EON ETR EZT FARGIU IHW IMF ITH ITW IWR IWVIWW -LIT MAR MOZ MSE NAB NPONSI OBW OWE PON RRO RWR RWYSFG SFH SFN SFO SIV SOS SSYSZR TOL TUN UEI UFI UOZ USIUTL

• The threshold intensity (relative to 100.0) for reporting reflections has been decreased to 0.01.

This means that more weak reflections tend to be listed for the high-symmetry structures. If

there are too many reflections to list on one page, the intensity threshold is increased so that

only the 165 most intense reflections out to 50◦ 2θ are listed.

• The refinement for EUO has been updated.

• The refinement for hydrated LTA has been updated.

• A new single crystal refinement for MEL has been added.

• An error in the z-coordinate for H20(7) in -VFI has been corrected.

• The Biso values for the chabazite structure (CHA) have been corrected. This correction

suppresses the intensities slightly at higher angles relative to the values reported in previous

editions.

• As before, due to space constraints, the refined structure coordinates are not listed in the

printed version of this Collection. An electronic PDF version of this Collection, complete

with coordinates, can be found at:


POWDER PATTERN

IDENTIFICATION TABLE

Powder Pattern Identification Table

2θ◦

Material Code 2θ◦

Material Code

3.33 Franzinite FRA 6.70 SSZ-53 SFH

3.42 Cloverite -CLO 6.77 NaZ-21 LTN

3.56 Paulingite PAU 6.78 VPI-8 VET

3.96 1-aminoadamantane NU-3 LEV 6.80 FOS-5 BEC

4.14 NaZ-21 LTN 6.82 UiO-6, Calcined OSI

4.18 Giuseppettite GIU 6.82 Roggianite -RON

4.56 Decamethonium DAF-1 DFO 6.84 MCM-68 MSE

4.80 VPI-9 VNI 6.85 AlPO–41, Calcined AFO

4.83 Cloverite -CLO 6.87 SSZ-58 SFG

4.84 Tschortnerite TSC 6.88 ITQ–7, Siliceous, Calcined ISV

4.85 ECR-34 ETR 6.93 CIT-5 CFI

5.04 Paulingite PAU 6.96 GUS-1 GON

5.24 SSZ-53 SFH 6.97 ITQ-22 IWW

5.31 AlPO–8 AET 6.98 Beta, Polymorph A SiO2 Framework *BEA

5.38 VPI-5 VFI 6.99 ITQ-27 IWV

5.50 Perlialite LTL 7.01 ITQ-24 IWR

5.55 Linde Type L LTL 7.01 ITQ–7, Siliceous, Calcined ISV

5.55 Mazzite MAZ 7.03 IM-12 UTL

5.59 Tschortnerite TSC 7.04 UCSB–10GaZn SBT

5.63 UCSB–8Co SBE 7.05 NU-87 NES

5.63 ZSM-10 MOZ 7.06 ITQ-13 ITH

5.64 Chiavennite -CHI 7.07 SSZ-58 SFG

5.72 UCSB–6GaCo SBS 7.09 ITQ-1, Calcined (Siliceous MCM-22) MWW

5.76 MCM-35 MTF 7.10 Beryllophosphate-H BPH

5.77 OSB-2 OBW 7.12 ITQ-22 IWW

5.87 EMC-2, Partially Dehydrated EMT 7.15 TNU-9 TUN

5.87 EMC-2, Calcined EMT 7.18 ITQ-1, Calcined (Siliceous MCM-22) MWW

5.92 Cloverite -CLO 7.20 Linde Type A, Hydrated LTA

5.96 Li-LSX FAU 7.20 Linde Type A, Dehydrated LTA

5.96 TNU-7 EON 7.28 SSZ-59 SFN

5.97 UCR-20 – GaGeS-TAEA RWY 7.33 CIT-5 CFI

6.02 UCSB–10GaZn SBT 7.35 ITQ-32 IHW

6.04 UTD-1 DON 7.39 IM-12 UTL

6.10 Na-X, Dehydrated FAU 7.40 Terranovaite TER

6.12 Na-X, Hydrated FAU 7.41 N2, Piperidine Dodecasil 1H DOH

6.15 IM-12 UTL 7.42 Gmelinite GME

6.18 SSZ-59 SFN 7.42 SAPO–56 AFX

6.19 Faujasite FAU 7.43 Tetrapropylammonium Fluoride AlPO-5 AFI

6.23 EMC-2, Partially Dehydrated EMT 7.43 Boggsite BOG

6.24 EMC-2, Calcined EMT 7.47 ZSM-12, Calcined MTW

6.27 UZM-5 UFI 7.49 MCM-61 MSO

6.31 Na-Y, Siliceous FAU 7.55 UTD-1 DON

6.32 UCSB–10GaZn SBT 7.60 Calcined IM-5 IMF

6.33 Ultrastable Y, Dehydrated Dealuminated FAU 7.60 SSZ-51 SFO

6.37 ITQ-27 IWV 7.60 TNU-9 TUN

6.39 Maricopaite MOR 7.61 Tetrapropylammonium SAPO–40 AFR

6.41 UCSB–8Co SBE 7.63 ZSM-12, Calcined MTW

6.45 SSZ-60 SSY 7.66 CIT-1 CON

6.48 1-aminoadamantane Deca-Dodecasil 3R DDR 7.66 Offretite OFF

6.50 UCSB–6GaCo SBS 7.67 STA-1, Magnesium Aluminophosphate SAO

6.50 ZSM-10 MOZ 7.68 1-aminoadamantane Deca-Dodecasil 3R DDR

6.51 Mordenite MOR 7.69 Erionite ERI

6.52 MCM-68 MSE 7.71 Bellbergite EAB

6.57 Di-n-propylamine MAPSO–46 AFS 7.71 Piperidine AlPO–17 ERI

6.57 AlPO–8 AET 7.72 SSZ-44, Calcined SFF

6.58 UCSB–6GaCo SBS 7.72 ITQ–7, Siliceous, Calcined ISV

6.58 SSZ–48, Calcined SFE 7.72 Di-n-propylamine MAPSO–46 AFS

6.65 EMC-2, Partially Dehydrated EMT 7.73 ERS-7 Framework ESV

6.65 EMC-2, Calcined EMT 7.74 Beta, Polymorph A SiO2 Framework *BEA

6.69 (Cs,K) ZK5, Dehydrated KFI 7.75 ITQ-24 IWR

Powder Pattern Identification Table continued

2θ◦


Material Code

7.75 ZSM-18, SiO2 Framework MEI 8.41 TNU-7 EON

7.76 Calcined IM-5 IMF 8.45 UCR-20 – GaGeS-TAEA RWY

7.78 Ferrierite FER 8.49 Di-n-propylamine SAPO–31 ATO

7.79 SUZ-4, hydrated SZR 8.56 Levyne LEV

7.79 SUZ-4, anhydrous SZR 8.58 ITQ–3, Calcined ITE

7.80 Gottardiite NES 8.62 Terranovaite TER

7.82 ZSM-57, SiO2 Framework MFS 8.64 RUB-13 RTH

7.84 CIT-1 CON 8.64 SAPO–56 AFX

7.84 Boggsite BOG 8.69 IM-6 USI

7.88 MAPO–36, Calcined ATS 8.71 SSZ-44, Calcined SFF

7.89 Dodecasil 3C MTN 8.72 RUB-17 RSN

7.89 TNU-9 TUN 8.73 STA-6 SAS

7.90 NU-87 NES 8.74 o-FDBDM ZSM-50 EUO

7.91 Decamethonium DAF-1 DFO 8.74 ITQ-13 ITH

7.92 UZM-5 UFI 8.81 ZSM-11, Calcined MEL

7.93 Marinellite MAR 8.81 Terranovaite TER

7.93 ZSM-11, Calcined MEL 8.82 GUS-1 GON

7.94 DDP-stabilized ZSM-11 MEL 8.82 ITQ-32 IHW

7.94 ZSM-5, Calcined MFI 8.82 DDP-stabilized ZSM-11 MEL

7.94 Ammonium Fluoride ZSM-23 MTT 8.84 Tetrapropylammonium ZSM-5 MFI

7.94 NaZ-21 LTN 8.85 Calcined IM-5 IMF

7.95 2-aminopentane Nonasil NON 8.87 VPI-7 VSV

7.95 Tetrapropylammonium ZSM-5 MFI 8.88 ITQ-32 IHW

7.97 ITQ-27 IWV 8.88 Tetrapropylammonium ZSM-5 MFI

7.98 o-FDBDM ZSM-50 EUO 8.90 ZSM-5, Calcined MFI

7.99 SSZ-35, Calcined STF 8.91 ZSM-12, Calcined MTW

8.00 IM-6 USI 8.93 Rho, Deuterated Berylloarsenate RHO

8.01 ITQ-1, Calcined (Siliceous MCM-22) MWW 8.94 Lovdarite LOV

8.01 Di-n-propylamine CoAPO–50 AFY 8.95 Ammonium Fluoride ZSM-23 MTT

8.01 ZSM-5, Calcined MFI 8.98 Maricopaite MOR

8.02 AlPO–52, Calcined, Rehydrated AFT 9.01 1-aminoadamantane Sigma-2 SGT

8.02 ITQ-13 ITH 9.01 ITQ–3, Calcined ITE

8.06 Tetrapropylammonium SAPO–40 AFR 9.05 RUB-13 RTH

8.06 EMM-3 EZT 9.07 Pahasapaite RHO

8.06 SSZ-60 SSY 9.08 AlPO–14, Calcined AFN

8.06 SSZ-44, Calcined SFF 9.10 OSB-2 OBW

8.07 SSZ–48, Calcined SFE 9.10 CIT-1 CON

8.09 SSZ-35, Calcined STF 9.14 AlPO–C, Hydrated APC

8.09 Di-isopropylamine MnAPO–11 AEL 9.16 RUB-3 RTE

8.10 AlPO–11, Calcined AEL 9.18 Quinuclidine AlPO–22 AWW

8.11 Beryllophosphate-H BPH 9.23 Cobalt Gallophosphate LAU

8.11 SSZ-23 STT 9.23 Ferrierite FER

8.11 ERS-7 Framework ESV 9.24 Laumontite LAU

8.15 Decamethonium DAF-1 DFO 9.26 Farneseite FAR

8.15 ITQ-4, Calcined IFR 9.28 UCSB–8Co SBE

8.15 Diethylamine Theta-1 (Silica ZSM-22) TON 9.30 Tetramethylammonium OH AlPO–12 ATT

8.17 STA-1, Magnesium Aluminophosphate SAO 9.36 AlPO–25 ATV

8.20 Cobalt Gallium Phosphate-6 CGS 9.36 Magnesium STA-7 SAV

8.20 MAPO–36, Calcined ATS 9.38 Leonhardite LAU

8.21 Partheite -PAR 9.40 Chabazite, K-exchanged CHA

8.22 SSZ-51 SFO 9.40 FOS-5 BEC

8.22 Ammonium Fluoride ZSM-23 MTT 9.41 IM-6 USI

8.28 Farneseite FAR 9.42 Magnesium STA-7 SAV

8.32 Rho, Hydrated RHO 9.42 ZSM-57, SiO2 Framework MFS

8.32 Gottardiite NES 9.43 SSZ–48, Calcined SFE

8.35 SSZ-59 SFN 9.45 Ferrierite, Siliceous FER

8.36 SSZ-53 SFH 9.45 Di-isopropylamine MnAPO–11 AEL

8.37 NU-87 NES 9.47 (Cs,K) ZK5, Dehydrated KFI

8.39 ITQ-22 IWW 9.47 MAPO–39 ATN

8.41 ECR-34 ETR 9.47 SU-16 SOS


2θ◦


Material Code

9.48 EMM-3 EZT 10.14 AlPO-EN3 AEN

9.48 Methylbutylamine SAPO–47 CHA 10.14 IM-10 UOZ

9.49 Bellbergite EAB 10.16 VPI-9 VNI

9.49 AlPO–18, Calcined AEI 10.16 Diethylamine Theta-1 (Silica ZSM-22) TON

9.50 SSZ-23 STT 10.18 RUB-13 RTH

9.54 Perlialite LTL 10.19 Linde Type A, Hydrated LTA

9.54 AlPO–52, Calcined, Rehydrated AFT 10.19 Linde Type A, Dehydrated LTA

9.55 ZSM-18, SiO2 Framework MEI 10.20 IST-1 PON

9.57 AlPO–11, Calcined AEL 10.27 MCM-61 MSO

9.59 VPI-8 VET 10.31 Na-Y, Siliceous FAU

9.59 UiO-28 OWE 10.31 Gallophosphate DAB-2 ZON

9.61 UZM-25, calcined CDO 10.33 SSZ-60 SSY

9.61 2-aminopentane Nonasil NON 10.34 Ultrastable Y, Dehydrated Dealuminated FAU

9.62 FOS-5 BEC 10.35 UCR-20 – GaGeS-TAEA RWY

9.62 Mazzite MAZ 10.47 AlPO – H2 AHT

9.64 (Na, Tetramethylammonium)-E EAB 10.48 Magnesium STA-7 SAV

9.64 CDS-1 CDO 10.50 STA-6 SAS

9.65 UiO-6, Calcined OSI 10.58 SSZ-23 STT

9.65 Roggianite -RON 10.61 AlPO–18, Calcined AEI

9.67 MCM-68 MSE 10.66 UiO-7, aluminophosphate ZON

9.68 Beta, Polymorph A SiO2 Framework *BEA 10.67 Nu-6(2) NSI

9.68 Erionite ERI 10.70 Paulingite PAU

9.69 Tschortnerite TSC 10.75 Nepheline Hydrate JBW

9.69 ITQ-4, Calcined IFR 10.76 ITQ-12 ITW

9.70 Stilbite STI 10.77 RUB-10, SiO2 Framework RUT

9.71 Stellerite STI 10.77 VPI-5 VFI

9.72 Barrerite STI 10.79 OSB-2 OBW

9.72 AlPO–41, Calcined AFO 10.85 Levyne LEV

9.73 SSZ-35, Calcined STF 10.89 ITQ-24 IWR

9.74 Li-LSX FAU 10.90 Partheite -PAR

9.75 MCM-35 MTF 10.90 Harmotome PHI

9.75 Chiral Sodium Zincophosphate, P6122 CZP 10.91 IST-1 PON

9.77 Mordenite MOR 11.07 Heulandite HEU

9.77 Piperidine AlPO–17 ERI 11.08 1-aminoadamantane NU-3 LEV

9.78 TNU-7 EON 11.11 Mazzite MAZ

9.81 Chiral Sodium Zincophosphate, P6522 CZP 11.17 ZSM-18, SiO2 Framework MEI

9.81 Di-n-propylamine CoAPO–50 AFY 11.19 Clinoptilolite HEU

9.81 Hydroxygallophosphate Mu-18 UEI 11.23 NPO, SiO2 Framework NPO

9.82 MCM-65, calcined CDO 11.28 ZSM-10 MOZ

9.82 ERS-7 Framework ESV 11.29 UiO-28 OWE

9.85 Heulandite HEU 11.29 Bikitaite BIK

9.88 Clinoptilolite HEU 11.30 Chiavennite -CHI

9.90 Stellerite STI 11.31 RUB-41 RRO

9.91 Barrerite STI 11.33 Cobalt Gallium Phosphate-5 CGF

9.95 Dachiardite DAC 11.37 NPO, SiO2 Framework NPO

9.96 Stilbite STI 11.38 Chiral Sodium Zincophosphate, P6122 CZP

9.97 Na-X, Dehydrated FAU 11.41 NPO, SiO2 Framework NPO

9.97 Epistilbite EPI 11.41 Chiral Sodium Zincophosphate, P6522 CZP

9.98 SSZ-58 SFG 11.42 Li-LSX FAU

9.99 AlPO–8 AET 11.43 Barium Chloroaluminosilicate MER

10.00 Na-X, Hydrated FAU 11.45 ECR-34 ETR

10.00 Cobalt Gallium Phosphate-5 CGF 11.45 Quinuclidine AlPO–16 AST

10.06 ITQ–3, Calcined ITE 11.49 Cobalt Gallium Phosphate-6 CGS

10.06 RUB-10, SiO2 Framework RUT 11.52 Gmelinite GME

10.07 ASU-7 ASV 11.53 Levyne LEV

10.08 Tetramethylammonium ZAPO-M1 ZON 11.54 Losod LOS

10.10 AlPO–21 AWO 11.54 Hydroxygallophosphate Mu-18 UEI

10.12 OSB-1 OSO 11.57 AlPO–14, Calcined AFN

10.13 Giuseppettite GIU 11.57 SAPO–56 AFX

10.14 RUB-41 RRO 11.64 AlPO–52, Calcined, Rehydrated AFT


2θ◦


Material Code

11.67 Quinuclidinium fluoride octadecasil AST 12.88 UZM-25, calcined CDO

11.69 Na-X, Dehydrated FAU 12.89 Methylbutylamine SAPO–47 CHA

11.73 Na-X, Hydrated FAU 12.90 AlPO–C, Hydrated APC

11.77 Linde Type L LTL 12.91 AlPO–18, Calcined AEI

11.79 Nepheline Hydrate JBW 12.91 AlPO–D APD

11.86 Faujasite FAU 12.91 Dodecasil 3C MTN

11.86 Wenkite -WEN 12.95 CDS-1 CDO

11.87 SUZ-4, anhydrous SZR 12.97 MCM-65, calcined CDO

11.90 SUZ-4, hydrated SZR 12.99 AlPO-EN3 AEN

11.91 UZM-5 UFI 13.00 Leonhardite LAU

11.95 Magnesium Phosphate UiO-20 DFT 13.07 Brewsterite BRE

12.00 RUB-24 RWR 13.09 RUB-24 RWR

12.10 Na-Y, Siliceous FAU 13.15 AlPO–14, Calcined AFN

12.13 Amicite GIS 13.16 Lovdarite LOV

12.14 Ultrastable Y, Dehydrated Dealuminated FAU 13.17 Di-n-propylamine MAPSO–46 AFS

12.14 UiO-28 OWE 13.22 ITQ-12 ITW

12.15 Gismondine GIS 13.31 Nu-6(2) NSI

12.17 SIZ-7 SIV 13.33 (Na, Tetramethylammonium)-E EAB

12.18 UiO-7, aluminophosphate ZON 13.34 Erionite ERI

12.22 ACP-1 ACO 13.37 Scolecite NAT

12.22 AlPO–21 AWO 13.38 Piperidine AlPO–17 ERI

12.32 Cobalt Gallium Phosphate-6 CGS 13.39 Thomsonite THO

12.34 SIZ-7 SIV 13.41 Gonnardite NAT

12.35 Gobbinsite GIS 13.41 MAPO–39 ATN

12.36 Phillipsite PHI 13.41 Montesommaite MON

12.37 SIZ-7 SIV 13.44 Mesolite NAT

12.38 Garronite GIS 13.45 Mordenite MOR

12.38 Di-n-propylamine MAPO–43 GIS 13.48 UiO-7, aluminophosphate ZON

12.40 Harmotome PHI 13.50 Bellbergite EAB

12.41 Goosecreekite GOO 13.56 Natrolite NAT

12.42 Tetrapropylammonium SAPO–40 AFR 13.60 Edingtonite EDI

12.44 Tetramethylammonium ZAPO-M1 ZON 13.64 AlPO–C, Hydrated APC

12.44 SUZ-4, anhydrous SZR 13.67 Gallophosphate DAB-2 ZON

12.44 Merlinoite MER 13.72 ITQ-4, Calcined IFR

12.46 Na-P1 GIS 13.72 Losod LOS

12.46 LiH oxonitridophosphate chloride NPO 13.73 AlPO–41, Calcined AFO

12.48 Phillipsite PHI 13.76 Tetramethylammonium ZAPO-M1 ZON

12.49 Linde Type A, Hydrated LTA 13.80 Li-ABW ABW

12.49 Gallophosphate DAB-2 ZON 13.88 RUB-17 RSN

12.49 Linde Type A, Dehydrated LTA 13.89 VPI-7 VSV

12.54 Merlinoite MER 13.89 STA-1, Magnesium Aluminophosphate SAO

12.55 AlPO–C, Dehydrated APC 13.90 Harmotome PHI

12.57 Gobbinsite GIS 13.95 EMM-3 EZT

12.58 Ferrierite, Siliceous FER 14.00 AlPO–C, Dehydrated APC

12.59 Goosecreekite GOO 14.02 Brewsterite BRE

12.60 SSZ-51 SFO 14.02 Cancrinite CAN

12.60 ACP-1 ACO 14.14 RUB-3 RTE

12.65 Tetramethylammonium OH AlPO–12 ATT 14.16 Sodalite Octahydrate SOD

12.71 Laumontite LAU 14.31 Tugtupite SOD

12.73 MCM-61 MSO 14.41 RUB-10, SiO2 Framework RUT

12.76 SU-16 SOS 14.50 Roggianite -RON

12.76 Franzinite FRA 14.56 Partheite -PAR

12.78 Dachiardite DAC 14.63 Nabesite NAB

12.78 MCM-65, calcined CDO 14.71 Linde Type L LTL

12.78 ZSM-57, SiO2 Framework MFS 14.74 Melanophlogite MEP

12.80 Maricopaite MOR 14.80 AlPO–21 AWO

12.83 Ferrierite, Siliceous FER 14.80 IST-1 PON

12.84 Epistilbite EPI 14.82 Nabesite NAB

12.85 CDS-1 CDO 14.96 Gonnardite NAT

12.88 RUB-17 RSN 14.96 AlPO–25 ATV


2θ◦


Material Code

14.97 Weinebeneite WEI 20.58 Tridymite –

15.00 (Cs,K) ZK5, Dehydrated KFI 20.60 o-FDBDM ZSM-50 EUO

15.04 Natrolite NAT 20.61 Quinuclidine AlPO–22 AWW

15.10 Scolecite NAT 20.62 2-aminopentane Nonasil NON

15.10 N2, Piperidine Dodecasil 1H DOH 20.62 Methylbutylamine SAPO–47 CHA

15.11 Mesolite NAT 20.62 AlPO–D APD

15.14 Dodecasil 3C MTN 20.64 UiO-6, Calcined OSI

15.16 RUB-24 RWR 20.66 GUS-1 GON

15.17 SUZ-4, hydrated SZR 20.71 AlPO–D APD

15.20 Chiavennite -CHI 20.82 Gismondine GIS

15.23 Ferrierite FER 20.86 Alpha Quartz –

15.26 Chiral Sodium Zincophosphate, P6522 CZP 20.90 Nu-6(2) NSI

15.27 Chiral Sodium Zincophosphate, P6122 CZP 20.96 UTD-1 DON

15.30 Yugawaralite YUG 20.97 Tetrapropylammonium Fluoride AlPO-5 AFI

15.42 OSB-1 OSO 21.02 NPO, SiO2 Framework NPO

15.45 Weinebeneite WEI 21.03 Amicite GIS

15.61 Faujasite FAU 21.04 Di-isopropylamine MnAPO–11 AEL

15.71 ITQ-12 ITW 21.10 Barium Chloroaluminosilicate MER

15.81 Analcime ANA 21.13 AlPO–25 ATV

16.16 Melanophlogite MEP 21.18 Cobalt Gallophosphate LAU

16.24 STA-6 SAS 21.22 Bikitaite BIK

16.34 STA-2 SAT 21.23 AlPO–11, Calcined AEL

16.42 STA-2 SAT 21.52 Di-n-propylamine MAPO–43 GIS

16.57 Merlinoite MER 21.52 STA-2 SAT

16.84 N2, Piperidine Dodecasil 1H DOH 21.57 Gobbinsite GIS

17.13 1-aminoadamantane Deca-Dodecasil 3R DDR 21.60 Cs-Aluminosilicate CAS

17.35 Amicite GIS 21.67 LiH oxonitridophosphate chloride NPO

17.65 Gmelinite GME 21.67 Na-P1 GIS

17.82 Lovdarite LOV 21.68 SU-16 SOS

17.87 RUB-3 RTE 21.68 Tridymite –

17.87 Garronite GIS 21.87 AlPO – H2 AHT

17.90 AlPO–C, Dehydrated APC 21.89 Stilbite STI

18.04 Gismondine GIS 21.90 Stellerite STI

18.10 Hydroxygallophosphate Mu-18 UEI 21.92 Barrerite STI

18.35 Liottite LIO 21.92 IM-10 UOZ

18.37 Tounkite-like mineral TOL 21.93 VPI-5 VFI

18.40 Afghanite AFG 22.00 Alpha Cristobalite –

18.49 IM-10 UOZ 22.03 1-aminoadamantane NU-3 LEV

18.54 Quinuclidine AlPO–22 AWW 22.03 Quinuclidine AlPO–16 AST

18.61 Losod LOS 22.13 Quinuclidinium fluoride octadecasil AST

18.67 Rho, Hydrated RHO 22.22 Heulandite HEU

18.75 Quinuclidine AlPO–16 AST 22.38 Tetrapropylammonium Fluoride AlPO-5 AFI

18.89 Edingtonite EDI 22.49 Clinoptilolite HEU

19.06 MAPO–36, Calcined ATS 22.51 LiH oxonitridophosphate chloride NPO

19.15 Cancrinite CAN 22.52 Perlialite LTL

19.16 Yugawaralite YUG 22.56 NPO, SiO2 Framework NPO

19.21 Thomsonite THO 22.58 Di-n-propylamine SAPO–31 ATO

19.56 1-aminoadamantane Sigma-2 SGT 22.59 MAPO–39 ATN

19.76 1-aminoadamantane Sigma-2 SGT 22.62 Quinuclidinium fluoride octadecasil AST

19.82 Goosecreekite GOO 22.65 ASU-7 ASV

19.83 RUB-41 RRO 22.96 Epistilbite EPI

20.01 Moganite – 23.05 Boggsite BOG

20.08 CIT-5 CFI 23.11 Cobalt Gallium Phosphate-5 CGF

20.09 VPI-8 VET 23.13 ZSM-11, Calcined MEL

20.18 Di-n-propylamine SAPO–31 ATO 23.16 DDP-stabilized ZSM-11 MEL

20.29 NPO, SiO2 Framework NPO 23.24 Magnesium Phosphate UiO-20 DFT

20.34 Gottardiite NES 23.48 ASU-7 ASV

20.36 Diethylamine Theta-1 (Silica ZSM-22) TON 23.51 Offretite OFF

20.45 Chabazite, K-exchanged CHA 23.57 (Na, Tetramethylammonium)-E EAB

20.52 Tridymite – 23.78 Rho, Deuterated Berylloarsenate RHO


2θ◦


Material Code

23.86 Franzinite FRA 27.41 Lithosite -LIT

23.86 Keatite – 27.43 VPI-7 VSV

23.93 Marinellite MAR 27.46 Pahasapaite RHO

23.95 Liottite LIO 27.54 Tetramethylammonium OH AlPO–12 ATT

23.96 AlPO-EN3 AEN 27.66 Di-n-propylamine MAPO–43 GIS

23.98 Giuseppettite GIU 27.72 ACP-1 ACO

24.08 Afghanite AFG 27.74 Cancrinite CAN

24.16 Pahasapaite RHO 27.89 Phillipsite PHI

24.17 Tounkite-like mineral TOL 27.96 Mg-BCTT BCT

24.18 Di-n-propylamine CoAPO–50 AFY 28.10 Na-P1 GIS

24.65 Sodalite Octahydrate SOD 28.15 Li-ABW ABW

24.68 Cs-Aluminosilicate CAS 28.18 Mg-BCTT BCT

24.71 Bicchulite SOD 28.22 Lithosite -LIT

24.79 Melanophlogite MEP 28.33 Garronite GIS

24.79 Edingtonite EDI 28.37 Wenkite -WEN

24.80 Tugtupite SOD 28.42 Montesommaite MON

24.83 Cs-Aluminosilicate CAS 28.82 Lithosite -LIT

25.14 Rho, Hydrated RHO 28.96 Nabesite NAB

25.14 Tugtupite SOD 29.03 AlPO – H2 AHT

25.18 Laumontite LAU 29.10 VPI-9 VNI

25.19 Cobalt Gallophosphate LAU 29.29 Yugawaralite YUG

25.35 Marinellite MAR 29.36 OSB-1 OSO

25.37 Leonhardite LAU 29.50 Li-ABW ABW

25.42 Thomsonite THO 30.19 Tiptopite CAN

25.59 Farneseite FAR 30.40 Chabazite, K-exchanged CHA

25.59 MCM-35 MTF 30.50 Brewsterite BRE

25.73 Dachiardite DAC 30.54 Analcime ANA

25.76 Bikitaite BIK 30.96 Scolecite NAT

25.77 Wenkite -WEN 30.98 Mesolite NAT

25.93 UZM-25, calcined CDO 31.01 Gonnardite NAT

25.96 Analcime ANA 31.22 Natrolite NAT

26.03 Keatite – 31.23 Offretite OFF

26.07 Magnesium Phosphate UiO-20 DFT 31.44 Alpha Cristobalite –

26.10 Nepheline Hydrate JBW 31.99 Sodalite Octahydrate SOD

26.29 Moganite – 32.07 Bicchulite SOD

26.49 Tiptopite CAN 32.08 Beryllophosphate-H BPH

26.65 Alpha Quartz – 32.32 Barium Chloroaluminosilicate MER

26.73 Keatite – 34.51 Mg-BCTT BCT

26.73 Moganite – 35.58 Tiptopite CAN

26.91 Liottite LIO 35.73 Weinebeneite WEI

27.01 Montesommaite MON 36.15 Alpha Cristobalite –

27.02 Afghanite AFG 39.49 Alpha Quartz –

27.02 Rho, Deuterated Berylloarsenate RHO 43.51 Bicchulite SOD

27.05 Tounkite-like mineral TOL

POWDER PATTERNS

ABW Li-ABW

CHEMICAL COMPOSITION: |Li4(H2O)4| [Si4Al4O16]

REFINED COMPOSITION: |Li4(H2O)4| [Si4Al4O16]

CRYSTAL DATA: Pna21 (No. 33)a = 10.313 A b = 8.194 A c = 4.993 Aα = 90◦ β = 90◦ γ = 90◦

X-ray single crystal refinement, Rw = 0.081

REFERENCE: E. Krogh Andersen and G. Ploug-Sørensen,Z. Kristallogr. 176 67–73 (1986).

h k l 2θ d M Irel h k l 2θ d M Irel h k l 2θ d M Irel

1 1 0 13.80 6.416 4 88.5 4 0 0 34.80 2.578 2 0.03 1 2 2 43.34 2.088 8 0.702 0 0 17.20 5.156 2 20.6 0 0 2 35.97 2.497 2 34.7 0 4 0 44.21 2.049 2 6.62 1 0 20.35 4.364 4 17.5 4 1 0 36.53 2.459 4 3.3 1 4 0 45.12 2.009 4 0.450 1 1 20.83 4.264 4 59.3 2 3 0 37.25 2.414 4 0.10 5 1 0 45.34 2.000 4 1.90 2 0 21.69 4.097 2 4.3 0 3 1 37.53 2.396 4 9.0 4 2 1 45.36 2.000 8 0.431 1 1 22.56 3.940 8 0.02 1 3 1 38.57 2.334 8 5.5 2 2 2 46.07 1.970 8 0.192 0 1 24.82 3.587 4 0.07 3 2 1 38.65 2.329 8 11.3 3 3 1 46.18 1.966 8 2.22 1 1 27.14 3.286 8 5.9 1 1 2 38.70 2.327 8 6.0 3 1 2 46.29 1.961 8 9.32 2 0 27.81 3.208 4 0.13 4 0 1 39.33 2.291 4 0.31 2 4 0 47.77 1.904 4 0.673 1 0 28.15 3.170 4 94.6 2 0 2 40.13 2.247 4 5.0 4 3 0 48.56 1.875 4 1.21 2 1 29.50 3.028 8 100.0 4 1 1 40.90 2.206 8 3.7 1 4 1 48.86 1.864 8 0.932 2 1 33.19 2.699 8 2.7 4 2 0 41.38 2.182 4 2.5 5 1 1 49.06 1.857 8 0.073 1 1 33.48 2.676 8 0.55 2 3 1 41.56 2.173 8 7.9 5 2 0 49.47 1.842 4 1.31 3 0 33.95 2.640 4 4.1 2 1 2 41.68 2.167 8 1.33 2 0 34.04 2.633 4 1.1 3 3 0 42.26 2.139 4 0.47

ABW

Li-A

BW

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

ACO ACP-1

CHEMICAL COMPOSITION: |(NH2(CH2)2NH2)4(H2O)2| [Al0.88Co7.12P8O32]NH2(CH2)2NH2 = ethylenediamine

REFINED COMPOSITION: |C8N8O2| [Co8P8O32]

CRYSTAL DATA: I42m (No. 121)a = 10.240 A b = 10.240 A c = 9.652 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦

X-ray single crystal refinement, R = 0.0775

REFERENCE: P. Feng, X. Bu and G. D. Stucky,Nature 388 735–741 (1997).


1 1 0 12.22 7.241 4 43.6 2 2 2 30.88 2.896 8 10.6 4 0 2 39.86 2.262 8 0.311 0 1 12.60 7.024 8 100.0 3 2 1 32.87 2.725 16 8.4 3 3 2 41.85 2.159 8 2.02 0 0 17.32 5.120 4 15.6 3 1 2 33.32 2.689 16 8.7 3 2 3 42.45 2.129 16 2.90 0 2 18.38 4.826 2 7.4 2 1 3 34.06 2.633 16 14.7 4 2 2 43.76 2.069 16 0.442 1 1 21.48 4.137 16 0.19 4 0 0 35.05 2.560 4 0.98 2 2 4 45.16 2.008 8 0.471 1 2 22.14 4.016 8 16.5 3 3 0 37.25 2.414 4 7.1 4 3 1 45.26 2.003 16 2.82 2 0 24.59 3.620 4 1.1 0 0 4 37.26 2.413 2 0.05 4 1 3 46.17 1.966 16 4.82 0 2 25.36 3.512 8 6.6 4 1 1 37.39 2.405 16 4.5 3 1 4 46.96 1.935 16 3.53 1 0 27.54 3.238 8 36.4 3 0 3 38.45 2.341 8 5.2 1 0 5 47.96 1.897 8 0.033 0 1 27.72 3.218 8 46.5 4 2 0 39.35 2.290 8 0.02 5 2 1 48.81 1.866 16 1.11 0 3 29.09 3.069 8 26.4 1 1 4 39.36 2.289 8 1.0 5 1 2 49.14 1.854 16 2.3

ACO

ACP-1

504030201002 theta (°)

504846444240383634323028262422201816141210

86420

AEI AlPO–18, Calcined

CHEMICAL COMPOSITION: [Al24P24O96]

REFINED COMPOSITION: [Al24P24O96]

CRYSTAL DATA: C1 2/c 1 (No. 15; unique axis b, cell choice 1)a = 13.7114 A b = 12.7315 A c = 18.5706 Aα = 90◦ β = 90.01◦ γ = 90◦

X-ray Rietveld refinement, Rexp = 0.047, Rwp = 0.108, RF = 0.032

REFERENCE: A. Simmen, L. B. McCusker, Ch. Baerlocher and W. M. Meier,Zeolites 11 654–661 (1991). Ch. Baerlocher, Private communication.


1 1 0 9.48 9.330 4 100.0 0 2 5 27.81 3.208 4 5.9 -3 3 5 37.72 2.385 4 0.240 0 2 9.52 9.285 2 57.9 0 4 0 28.03 3.183 2 0.82 4 4 0 38.60 2.332 4 0.35

-1 1 1 10.61 8.337 4 13.5 -1 3 4 29.24 3.054 4 0.64 0 0 8 38.79 2.321 2 0.291 1 1 10.61 8.336 4 14.6 1 3 4 29.25 3.054 4 0.49 -4 4 1 38.91 2.314 4 0.282 0 0 12.91 6.856 2 13.5 4 2 0 29.60 3.018 4 1.0 4 4 1 38.92 2.314 4 0.19

-1 1 2 13.45 6.582 4 2.4 0 4 2 29.67 3.011 4 0.42 -2 2 7 39.06 2.306 4 0.531 1 2 13.45 6.581 4 2.8 -4 2 1 29.99 2.979 4 1.4 5 3 0 39.11 2.303 4 0.280 2 0 13.91 6.366 2 1.9 4 2 1 30.00 2.979 4 2.2 -5 3 1 39.42 2.286 4 0.520 2 1 14.71 6.022 4 0.37 -3 3 2 30.31 2.949 4 1.4 5 3 1 39.42 2.286 4 0.32

-2 0 2 16.07 5.516 2 6.5 3 3 2 30.31 2.949 4 0.58 -5 3 2 40.34 2.236 4 0.242 0 2 16.07 5.515 2 6.0 -1 1 6 30.43 2.938 4 1.3 5 3 2 40.35 2.235 4 0.240 2 2 16.89 5.250 4 19.2 1 1 6 30.43 2.938 4 1.9 -3 3 6 41.14 2.194 4 0.40

-1 1 3 17.19 5.158 4 9.3 -2 2 5 30.77 2.906 4 1.5 3 3 6 41.15 2.194 4 0.581 1 3 17.19 5.158 4 9.5 2 2 5 30.77 2.905 4 1.2 0 2 8 41.40 2.181 4 1.02 2 0 19.02 4.665 4 3.0 2 4 0 30.98 2.887 4 2.6 -4 2 6 41.80 2.161 4 0.220 0 4 19.12 4.643 2 0.92 -4 2 2 31.16 2.870 4 5.1 2 4 6 42.84 2.111 4 0.19

-2 2 1 19.62 4.524 4 1.6 4 2 2 31.16 2.870 4 3.7 0 6 1 42.90 2.108 4 0.442 2 1 19.62 4.524 4 2.0 2 4 1 31.36 2.853 4 0.24 -6 2 2 43.17 2.095 4 0.510 2 3 20.01 4.438 4 6.6 0 4 3 31.61 2.831 4 1.8 -3 5 3 43.22 2.093 4 0.653 1 0 20.65 4.302 4 11.8 2 0 6 31.72 2.821 2 0.37 3 5 3 43.22 2.093 4 0.513 1 1 21.20 4.191 4 3.0 0 2 6 32.16 2.784 4 4.2 1 5 5 43.60 2.076 4 0.35

-2 2 2 21.31 4.169 4 0.85 -3 3 3 32.21 2.779 4 1.0 5 3 4 43.88 2.063 4 0.212 2 2 21.32 4.168 4 5.6 3 3 3 32.21 2.779 4 0.90 -3 1 8 44.34 2.043 4 0.29

-1 1 4 21.38 4.157 4 4.2 -4 0 4 32.46 2.758 2 0.51 3 1 8 44.34 2.043 4 0.231 1 4 21.38 4.156 4 0.54 4 0 4 32.47 2.757 2 0.37 5 1 6 44.72 2.026 4 0.221 3 0 21.92 4.054 4 0.69 -2 4 2 32.48 2.757 4 0.54 1 3 8 45.00 2.014 4 0.191 3 1 22.45 3.961 4 0.44 2 4 2 32.48 2.757 4 0.55 -5 3 5 46.38 1.958 4 0.18

-3 1 2 22.78 3.903 4 0.29 -1 3 5 32.70 2.739 4 1.7 5 3 5 46.39 1.957 4 0.19-2 0 4 23.14 3.844 2 1.5 1 3 5 32.70 2.739 4 2.5 -6 2 4 46.53 1.952 4 0.190 2 4 23.72 3.751 4 1.2 -4 2 3 33.02 2.713 4 0.92 7 1 0 46.93 1.936 4 0.22

-2 2 3 23.88 3.726 4 4.4 4 2 3 33.02 2.713 4 0.90 7 1 1 47.20 1.926 4 0.322 2 3 23.89 3.725 4 4.6 -5 1 1 33.78 2.653 4 0.48 7 1 2 48.00 1.895 4 0.18

-1 3 2 23.95 3.715 4 1.6 5 1 1 33.78 2.653 4 0.47 5 5 0 48.80 1.866 4 0.911 3 2 23.95 3.715 4 3.6 -2 4 3 34.27 2.616 4 0.37 4 4 6 48.90 1.863 4 0.50

-3 1 3 25.21 3.533 4 0.45 2 4 3 34.27 2.616 4 0.19 -3 3 8 48.96 1.860 4 0.213 1 3 25.21 3.532 4 0.87 3 3 4 34.72 2.584 4 0.38 0 0 10 49.05 1.857 2 1.1

-1 1 5 25.82 3.451 4 1.2 -2 2 6 34.78 2.579 4 0.27 -5 5 1 49.07 1.857 4 0.451 1 5 25.82 3.451 4 0.95 5 1 2 34.83 2.575 4 0.40 5 5 1 49.07 1.857 4 0.504 0 0 25.99 3.428 2 3.8 -4 2 4 35.47 2.531 4 0.37 -5 3 6 49.31 1.848 4 0.40

-1 3 3 26.28 3.392 4 3.3 1 5 0 35.87 2.503 4 0.89 -7 1 3 49.32 1.848 4 0.311 3 3 26.28 3.391 4 2.8 -1 5 1 36.20 2.481 4 0.21 7 1 3 49.32 1.848 4 0.33

-2 2 4 27.10 3.291 4 0.42 1 5 1 36.20 2.481 4 0.34 5 3 6 49.32 1.848 4 0.242 2 4 27.10 3.290 4 0.39 -5 1 3 36.52 2.460 4 0.52 0 6 5 49.47 1.842 4 0.30

-4 0 2 27.74 3.216 2 0.22 5 1 3 36.53 2.460 4 0.48 -5 5 2 49.84 1.829 4 0.254 0 2 27.74 3.216 2 0.43 0 2 7 36.70 2.449 4 0.31 5 5 2 49.85 1.829 4 0.37

AEI

AlP

O–18,

Calcined

504030201002 theta (°)

25

20

15

10

5

0

AEL AlPO–11, Calcined



CRYSTAL DATA: Ibm2 (No. 46; bac setting)a = 13.5336 A b = 18.4821 A c = 8.3703 Aα = 90◦ β = 90◦ γ = 90◦

Neutron Rietveld refinement, Rwp = 0.027, RF2 = 0.058

REFERENCE: J. W. Richardson, Jr., J. J. Pluth and J. V. Smith,Acta Cryst. B44 367–373 (1988).


1 1 0 8.10 10.919 4 100.0 3 3 2 32.60 2.746 8 0.21 2 5 3 42.75 2.115 8 0.060 2 0 9.57 9.241 2 82.1 1 0 3 32.77 2.733 4 0.07 3 4 3 42.84 2.111 8 0.831 0 1 12.43 7.119 4 0.04 4 4 0 32.81 2.730 4 10.6 0 0 4 43.23 2.093 2 3.02 0 0 13.08 6.767 2 18.9 1 5 2 33.00 2.714 8 0.09 1 1 4 44.06 2.055 8 0.101 2 1 15.71 5.639 8 0.06 5 1 0 33.46 2.678 4 0.08 6 3 1 44.10 2.053 8 0.061 3 0 15.80 5.607 4 35.6 4 0 2 34.07 2.631 4 2.6 1 6 3 44.31 2.044 8 0.672 2 0 16.23 5.460 4 1.3 1 2 3 34.22 2.620 8 0.02 0 2 4 44.39 2.041 4 0.402 1 1 17.52 5.061 8 0.10 1 7 0 34.61 2.591 4 4.6 4 3 3 44.59 2.032 8 0.090 4 0 19.21 4.621 2 0.63 5 0 1 34.83 2.575 4 0.11 6 4 0 44.71 2.027 4 2.33 1 0 20.26 4.383 4 17.7 2 1 3 35.13 2.555 8 0.05 0 8 2 44.81 2.023 4 0.100 0 2 21.23 4.185 2 71.4 4 2 2 35.47 2.531 8 0.78 4 7 1 44.87 2.020 8 2.02 3 1 22.22 4.001 8 26.2 5 2 1 36.21 2.481 8 0.07 3 7 2 45.31 2.001 8 0.263 0 1 22.39 3.971 4 18.9 0 6 2 36.21 2.481 4 1.8 4 6 2 45.33 2.001 8 0.951 1 2 22.75 3.908 8 5.0 5 3 0 36.25 2.478 4 4.3 2 0 4 45.36 1.999 4 0.111 4 1 22.95 3.876 8 23.9 3 6 1 36.93 2.434 8 0.70 3 8 1 45.42 1.997 8 0.622 4 0 23.31 3.816 4 26.6 4 5 1 37.61 2.392 8 0.13 6 0 2 45.69 1.986 4 0.480 2 2 23.33 3.812 4 6.2 2 3 3 37.81 2.379 8 4.8 5 6 1 45.93 1.976 8 0.023 2 1 24.40 3.649 8 1.7 3 0 3 37.92 2.373 4 4.5 1 3 4 46.31 1.960 8 0.383 3 0 24.46 3.640 4 1.7 3 5 2 38.12 2.361 8 0.13 2 2 4 46.47 1.954 8 0.031 5 0 24.97 3.566 4 0.85 2 7 1 38.13 2.360 8 0.92 5 0 3 46.76 1.943 4 0.142 0 2 25.02 3.559 4 1.9 1 4 3 38.26 2.352 8 5.7 6 2 2 46.80 1.941 8 0.094 0 0 26.34 3.383 2 11.3 2 6 2 38.66 2.329 8 0.06 5 5 2 46.93 1.936 8 0.401 3 2 26.58 3.354 8 5.9 0 8 0 38.99 2.310 2 0.09 7 1 0 47.27 1.923 4 0.082 2 2 26.84 3.322 8 0.20 3 2 3 39.20 2.298 8 0.43 0 4 4 47.71 1.906 4 0.074 2 0 28.08 3.177 4 2.0 4 4 2 39.41 2.286 8 2.8 5 2 3 47.84 1.901 8 0.110 4 2 28.78 3.102 4 0.23 3 7 0 39.55 2.279 4 0.63 5 7 0 48.14 1.890 4 0.294 1 1 28.87 3.093 8 2.3 4 6 0 39.56 2.278 4 0.77 3 1 4 48.19 1.888 8 0.150 6 0 28.99 3.080 2 7.0 5 1 2 39.97 2.256 8 0.03 7 0 1 48.31 1.884 4 1.23 1 2 29.51 3.027 8 2.7 6 0 0 39.97 2.256 2 0.23 3 6 3 48.42 1.880 8 0.322 5 1 29.53 3.025 8 0.29 5 4 1 40.08 2.250 8 0.16 6 5 1 48.51 1.876 8 0.123 4 1 29.66 3.012 8 1.2 1 7 2 40.96 2.203 8 0.27 3 9 0 48.72 1.869 4 0.333 5 0 31.28 2.859 4 0.54 1 8 1 41.07 2.197 8 0.05 7 2 1 49.37 1.846 8 0.121 6 1 31.65 2.827 8 1.2 2 8 0 41.29 2.186 4 0.05 2 7 3 49.39 1.845 8 1.002 4 2 31.73 2.820 8 5.6 5 5 0 41.34 2.184 4 0.30 7 3 0 49.41 1.845 4 0.642 6 0 31.92 2.804 4 0.93 6 1 1 41.76 2.163 8 0.69 2 4 4 49.69 1.835 8 0.334 3 1 32.02 2.795 8 0.57 4 1 3 42.27 2.138 8 0.81 1 9 2 49.92 1.827 8 0.03

AEL

AlP

O–11,

Calcined

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

AEL Di-isopropylamine MnAPO–11

CHEMICAL COMPOSITION: |(C6H16N)2| [Mn2Al18P20O80]C6H16N = di-isopropylamine

REFINED COMPOSITION: |C15.5N2.58| [Al20.54P18.22O80]



REFERENCE: J. J. Pluth, J. V. Smith and J. W. Richardson, Jr.,J. Phys. Chem. 92 2734–2738 (1988).


1 1 0 8.09 10.933 4 29.6 1 5 2 32.66 2.742 8 0.01 1 1 4 43.67 2.073 8 0.110 2 0 9.45 9.356 2 41.6 4 4 0 32.76 2.733 4 17.1 1 6 3 43.85 2.065 8 0.731 0 1 12.37 7.154 4 0.04 5 1 0 33.60 2.667 4 0.95 0 2 4 43.97 2.059 4 0.302 0 0 13.14 6.736 2 14.9 1 2 3 33.92 2.643 8 0.08 1 9 0 44.07 2.055 4 0.091 2 1 15.59 5.683 8 0.06 4 0 2 34.05 2.633 4 2.8 0 8 2 44.27 2.046 4 0.401 3 0 15.66 5.660 4 31.0 1 7 0 34.20 2.622 4 6.4 4 3 3 44.39 2.041 8 0.302 2 0 16.21 5.467 4 3.7 5 0 1 34.95 2.567 4 0.26 4 7 1 44.58 2.032 8 3.02 1 1 17.50 5.069 8 0.24 4 2 2 35.42 2.534 8 1.5 6 4 0 44.77 2.024 4 3.10 4 0 18.97 4.678 2 5.2 0 6 2 35.80 2.508 4 2.1 3 7 2 44.92 2.018 8 0.643 1 0 20.34 4.367 4 36.2 5 2 1 36.29 2.475 8 0.12 3 8 1 45.00 2.015 8 0.590 0 2 21.04 4.222 2 100.0 5 3 0 36.32 2.473 4 6.0 2 0 4 45.01 2.014 4 0.122 3 1 22.09 4.024 8 44.4 3 6 1 36.66 2.451 8 1.1 4 6 2 45.06 2.012 8 0.583 0 1 22.42 3.965 4 31.6 4 5 1 37.47 2.400 8 0.49 6 0 2 45.77 1.982 4 1.21 1 2 22.58 3.938 8 11.8 2 3 3 37.52 2.397 8 9.8 5 6 1 45.78 1.982 8 0.021 4 1 22.71 3.915 8 41.0 3 0 3 37.72 2.385 4 6.5 1 3 4 45.88 1.978 8 0.370 2 2 23.11 3.848 4 12.5 2 7 1 37.74 2.384 8 2.0 2 2 4 46.10 1.969 8 0.022 4 0 23.15 3.842 4 60.4 3 5 2 37.86 2.376 8 0.02 2 8 2 46.38 1.958 8 0.123 2 1 24.38 3.651 8 3.2 1 4 3 37.90 2.374 8 8.9 5 0 3 46.67 1.946 4 0.143 3 0 24.42 3.644 4 0.73 2 6 2 38.29 2.351 8 0.21 5 5 2 46.79 1.942 8 0.901 5 0 24.69 3.606 4 7.3 0 8 0 38.49 2.339 2 0.31 6 2 2 46.85 1.939 8 0.152 0 2 24.89 3.577 4 4.0 3 2 3 38.97 2.311 8 0.88 2 9 1 46.99 1.934 8 0.191 3 2 26.34 3.384 8 14.2 3 7 0 39.22 2.297 4 0.62 4 8 0 47.32 1.921 4 0.044 0 0 26.46 3.368 2 16.5 4 4 2 39.27 2.294 8 2.4 7 1 0 47.49 1.914 4 0.052 2 2 26.68 3.341 8 0.27 4 6 0 39.37 2.288 4 0.27 3 1 4 47.86 1.900 8 0.164 2 0 28.16 3.169 4 2.8 5 1 2 39.99 2.255 8 0.02 5 7 0 47.94 1.898 4 0.460 4 2 28.48 3.134 4 0.15 5 4 1 40.07 2.250 8 0.13 3 6 3 48.03 1.894 8 0.610 6 0 28.62 3.119 2 13.7 6 0 0 40.16 2.245 2 0.16 3 9 0 48.23 1.887 4 0.124 1 1 28.94 3.085 8 3.2 1 7 2 40.50 2.227 8 0.92 6 5 1 48.49 1.877 8 0.312 5 1 29.28 3.050 8 0.50 1 8 1 40.58 2.223 8 0.50 7 0 1 48.51 1.876 4 1.83 1 2 29.43 3.035 8 6.4 2 8 0 40.84 2.210 4 0.38 0 10 0 48.66 1.871 2 0.133 4 1 29.53 3.025 8 1.3 5 5 0 41.29 2.187 4 0.34 4 5 3 48.68 1.871 8 0.183 5 0 31.11 2.875 4 0.44 6 2 0 41.35 2.183 4 0.07 2 7 3 48.90 1.863 8 1.31 6 1 31.29 2.859 8 0.91 6 1 1 41.91 2.155 8 1.0 2 4 4 49.25 1.850 8 0.502 4 2 31.48 2.842 8 7.8 4 1 3 42.12 2.145 8 0.89 1 9 2 49.32 1.848 8 0.092 6 0 31.61 2.830 4 0.36 5 3 2 42.35 2.134 8 0.09 7 2 1 49.54 1.840 8 0.194 3 1 32.01 2.796 8 0.55 2 5 3 42.36 2.134 8 0.19 7 3 0 49.57 1.839 4 0.903 3 2 32.45 2.759 8 0.11 3 4 3 42.55 2.125 8 0.50 3 3 4 49.93 1.827 8 0.021 0 3 32.50 2.755 4 0.01 0 0 4 42.84 2.111 2 4.7 6 4 2 49.97 1.825 8 0.72

AEL

Di-isopropylam

ineM

nAPO

–11

504030201002 theta (°)

70

60

50

40

30

20

10

0

AEN AlPO-EN3

CHEMICAL COMPOSITION: |(C2H8N2)4(H2O)16| [Al24P24O96]C2H8N2 = ethylene diamine

REFINED COMPOSITION: |(C8N8O8)(H2O)8| [P24Al24O96]

CRYSTAL DATA: P212121 (No. 19)a = 10.321 A b = 13.631 A c = 17.454 Aα = 90◦ β = 90◦ γ = 90◦

X-ray single crystal refinement. R = 0.140, Rw = 0.182, RF2 = 0.103

REFERENCE: R. M. Kirchner, R. W. Grosse-Kunstleve, J. J. Pluth, S. T. Wilson,R. W. Broach and J. V. Smith,Microporous and Mesoporous Materials 39 319–332 (2000).


0 1 1 8.23 10.743 4 0.47 3 1 3 30.90 2.894 8 16.5 4 3 2 41.56 2.173 8 0.550 0 2 10.14 8.727 2 100.0 0 1 6 31.44 2.845 4 0.64 1 4 6 41.75 2.163 8 0.921 1 0 10.75 8.228 4 2.0 2 1 5 31.63 2.828 8 4.2 1 3 7 42.26 2.138 8 5.01 1 1 11.89 7.443 8 14.8 2 4 1 31.88 2.807 8 1.1 3 5 1 42.63 2.121 8 4.20 1 2 12.04 7.350 4 1.3 1 1 6 32.65 2.743 8 5.9 3 4 4 42.71 2.117 8 1.20 2 0 12.99 6.815 2 49.0 3 3 1 33.06 2.710 8 1.7 4 2 4 42.82 2.112 8 2.51 1 2 14.80 5.987 8 1.2 2 3 4 33.35 2.687 8 2.3 1 1 8 42.88 2.109 8 2.31 2 0 15.58 5.687 4 13.0 0 4 4 33.36 2.686 4 1.0 3 5 2 43.61 2.075 8 0.401 2 1 16.39 5.408 8 1.1 0 2 6 33.49 2.675 4 2.8 1 6 3 43.66 2.073 8 0.500 2 2 16.50 5.372 4 11.3 2 2 5 33.67 2.662 8 0.94 4 1 5 44.15 2.051 8 1.72 0 0 17.18 5.161 2 4.6 3 1 4 33.82 2.650 8 10.4 1 2 8 44.48 2.037 8 2.91 2 2 18.62 4.765 8 22.1 1 5 0 34.01 2.636 4 0.35 2 4 6 44.56 2.033 8 0.351 1 3 18.68 4.750 8 16.3 3 3 2 34.27 2.617 8 0.95 5 1 1 44.70 2.027 8 3.82 1 1 19.08 4.652 8 68.2 1 4 4 34.51 2.599 8 0.99 2 6 2 44.81 2.023 8 0.722 0 2 19.99 4.442 4 2.1 1 2 6 34.63 2.590 8 10.2 0 6 4 44.99 2.015 4 3.10 0 4 20.35 4.364 2 0.47 4 0 0 34.77 2.580 2 16.1 2 3 7 45.04 2.013 8 1.10 1 4 21.38 4.156 4 0.68 2 4 3 35.12 2.555 8 0.33 3 5 3 45.21 2.006 8 0.450 3 2 22.06 4.030 4 2.7 4 0 1 35.16 2.553 4 0.94 4 4 2 45.29 2.002 8 4.92 2 1 22.20 4.004 8 4.2 3 2 4 35.75 2.512 8 0.35 3 1 7 45.41 1.997 8 1.12 0 3 23.04 3.861 4 10.6 4 1 1 35.79 2.509 8 0.60 3 4 5 45.60 1.989 8 1.01 1 4 23.07 3.855 8 1.2 2 1 6 36.05 2.491 8 0.46 0 5 6 45.60 1.989 4 0.321 3 2 23.70 3.754 8 0.86 4 0 2 36.31 2.474 4 3.3 2 1 8 45.63 1.988 8 0.612 2 2 23.91 3.721 8 3.3 2 3 5 36.85 2.439 8 6.7 5 1 2 45.65 1.987 8 2.32 1 3 23.96 3.715 8 98.8 3 1 5 37.28 2.412 8 1.8 4 2 5 45.71 1.985 8 0.400 2 4 24.22 3.675 4 35.8 1 5 3 37.46 2.401 8 0.41 2 5 5 45.74 1.984 8 2.51 2 4 25.73 3.462 8 1.8 4 2 1 37.63 2.390 8 1.2 1 6 4 45.88 1.978 8 3.30 4 0 26.15 3.408 2 44.7 2 5 1 37.67 2.388 8 3.5 5 2 1 46.25 1.963 8 0.401 3 3 26.34 3.383 8 10.2 1 1 7 37.70 2.386 8 8.4 1 5 6 46.49 1.953 8 1.32 2 3 26.53 3.359 8 0.93 2 2 6 37.88 2.375 8 3.0 3 2 7 46.94 1.936 8 0.522 3 1 26.63 3.347 8 23.2 1 4 5 37.91 2.373 8 0.73 4 0 6 47.08 1.930 4 1.63 1 1 27.22 3.276 8 3.1 2 5 2 38.75 2.324 8 0.95 2 2 8 47.15 1.927 8 0.802 1 4 27.56 3.237 8 0.35 3 3 4 38.78 2.322 8 1.8 5 2 2 47.17 1.927 8 1.71 4 0 27.56 3.236 4 3.5 3 2 5 39.06 2.306 8 1.1 5 1 3 47.19 1.926 8 2.41 1 5 27.76 3.214 8 30.0 0 6 0 39.67 2.272 2 0.52 3 5 4 47.37 1.919 8 0.521 4 1 28.04 3.182 8 4.4 1 5 4 39.96 2.256 8 0.85 1 7 1 47.82 1.902 8 1.60 4 2 28.11 3.174 4 47.5 4 2 3 40.47 2.229 8 0.34 1 1 9 48.21 1.888 8 3.03 1 2 28.65 3.116 8 4.2 2 5 3 40.51 2.227 8 4.4 4 3 5 48.21 1.887 8 0.823 2 0 29.07 3.071 4 4.9 4 3 1 40.54 2.225 8 1.6 2 6 4 48.50 1.877 8 0.981 4 2 29.44 3.034 8 26.7 4 0 4 40.62 2.221 4 0.69 1 6 5 48.62 1.873 8 1.23 2 1 29.53 3.025 8 0.46 1 6 0 40.66 2.219 4 1.9 3 4 6 48.95 1.861 8 2.31 3 4 29.68 3.010 8 1.4 2 1 7 40.73 2.215 8 0.92 4 4 4 48.95 1.861 8 3.21 2 5 30.04 2.975 8 2.9 2 3 6 40.77 2.213 8 1.3 4 2 6 49.05 1.857 8 1.92 3 3 30.38 2.942 8 2.6 0 4 6 40.78 2.212 4 1.8 3 6 2 49.18 1.853 8 0.320 0 6 30.73 2.909 2 0.84 1 6 1 41.01 2.201 8 0.62 0 4 8 49.61 1.837 4 1.23 2 2 30.86 2.897 8 5.3 0 6 2 41.05 2.199 4 0.83 1 2 9 49.67 1.836 8 0.84

AEN

AlP

O-E

N3

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

AET AlPO–8


REFINED COMPOSITION: [Si72O144]

CRYSTAL DATA: Cmcm (No. 63)a = 33.2900 A b = 14.7036 A c = 8.3863 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: J. W. Richardson, Jr. and E. T. C. Vogt,Zeolites 12 13–19 (1992).


2 0 0 5.31 16.645 2 100.0 10 2 0 29.45 3.033 4 3.0 15 1 0 41.13 2.194 4 0.121 1 0 6.57 13.450 4 94.7 11 1 0 30.15 2.964 4 0.22 13 3 1 41.20 2.191 8 0.273 1 0 9.99 8.857 4 17.1 8 0 2 30.26 2.954 4 0.37 14 2 1 41.33 2.184 8 0.070 2 0 12.04 7.352 2 0.18 6 4 1 31.07 2.878 8 0.35 7 3 3 41.77 2.163 8 0.962 2 0 13.16 6.725 4 0.11 5 3 2 31.12 2.874 8 0.10 13 1 2 41.79 2.162 8 0.143 1 1 14.55 6.090 8 0.10 3 5 0 31.47 2.843 4 2.1 4 4 3 42.03 2.150 8 0.115 1 0 14.60 6.065 4 6.9 11 1 1 32.02 2.795 8 0.18 12 4 1 42.21 2.141 8 0.156 0 0 15.97 5.548 2 0.52 9 3 1 32.14 2.785 8 0.07 8 6 0 42.82 2.112 4 0.134 2 0 16.09 5.510 4 7.6 12 0 0 32.27 2.774 2 0.81 2 6 2 43.10 2.099 8 0.195 1 1 18.05 4.915 8 0.07 0 4 2 32.39 2.764 4 0.81 0 0 4 43.15 2.097 2 1.71 3 0 18.30 4.849 4 4.7 1 1 3 32.72 2.737 8 0.14 16 0 0 43.49 2.081 2 0.274 2 1 19.27 4.605 8 0.28 9 1 2 32.86 2.726 8 1.4 1 1 4 43.69 2.072 8 0.387 1 0 19.62 4.525 4 2.9 3 5 1 33.28 2.692 8 0.22 6 4 3 43.84 2.065 8 0.103 3 0 19.80 4.483 4 0.07 5 5 0 33.31 2.690 4 1.0 3 7 0 43.87 2.064 4 0.186 2 0 20.05 4.429 4 6.0 4 4 2 34.18 2.623 8 0.63 4 6 2 44.17 2.051 8 0.321 3 1 21.16 4.198 8 4.3 8 4 1 34.26 2.617 8 0.28 11 5 1 44.28 2.045 8 0.150 0 2 21.19 4.193 2 27.9 10 0 2 34.40 2.607 4 0.58 3 1 4 44.40 2.040 8 0.158 0 0 21.35 4.161 2 0.46 2 2 3 34.75 2.581 8 0.20 9 5 2 44.92 2.018 8 0.172 0 2 21.86 4.066 4 2.6 5 1 3 35.35 2.539 8 0.07 5 7 0 45.27 2.003 4 0.291 1 2 22.21 4.003 8 5.0 13 1 0 35.59 2.523 4 1.5 16 2 0 45.30 2.002 4 0.107 1 1 22.32 3.982 8 5.7 7 5 0 35.90 2.501 4 0.24 13 3 2 45.44 1.996 8 0.843 3 1 22.49 3.954 8 7.3 6 4 2 36.31 2.474 8 0.74 5 1 4 45.79 1.982 8 0.085 3 0 22.53 3.947 4 0.19 10 4 0 36.41 2.468 4 0.45 6 6 2 45.90 1.977 8 0.426 2 1 22.71 3.916 8 10.1 10 2 2 36.57 2.457 8 0.78 15 3 1 46.19 1.965 8 0.183 1 2 23.47 3.790 8 0.90 0 6 0 36.67 2.451 2 0.64 8 4 3 46.27 1.962 8 0.230 4 0 24.21 3.676 2 4.4 2 6 0 37.08 2.424 4 0.67 12 4 2 46.37 1.958 8 0.420 2 2 24.44 3.642 4 0.19 1 3 3 37.12 2.422 8 1.2 16 2 1 46.64 1.947 8 0.278 2 0 24.58 3.621 4 0.83 13 1 1 37.22 2.416 8 0.10 15 1 2 46.72 1.944 8 0.079 1 0 24.82 3.587 4 5.9 7 5 1 37.52 2.397 8 0.16 14 4 1 46.77 1.942 8 0.195 3 1 24.93 3.571 8 0.24 7 1 3 37.83 2.378 8 1.6 17 1 0 46.80 1.941 4 0.312 2 2 25.03 3.558 8 0.10 3 3 3 37.93 2.372 8 1.9 13 5 0 47.05 1.931 4 0.835 1 2 25.83 3.449 8 0.67 10 4 1 38.01 2.367 8 0.17 1 3 4 47.23 1.924 8 0.130 4 1 26.47 3.367 4 0.23 6 2 3 38.07 2.364 8 1.6 7 7 0 47.31 1.921 4 0.104 4 0 26.51 3.363 4 3.7 3 5 2 38.25 2.353 8 0.27 10 6 1 47.32 1.921 8 0.134 2 2 26.72 3.337 8 1.2 0 6 1 38.26 2.352 4 0.21 7 1 4 47.81 1.902 8 0.13

10 0 0 26.78 3.329 2 0.44 2 6 1 38.66 2.329 8 0.08 13 5 1 48.36 1.882 8 0.088 2 1 26.81 3.325 8 0.36 9 5 0 39.13 2.302 4 0.10 7 7 1 48.61 1.873 8 0.442 4 1 27.02 3.300 8 0.09 5 3 3 39.50 2.281 8 0.56 13 1 3 48.61 1.873 8 0.119 1 1 27.03 3.298 8 0.29 13 3 0 39.71 2.270 4 0.25 7 5 3 48.86 1.864 8 0.231 3 2 28.13 3.172 8 1.1 5 5 2 39.81 2.264 8 0.15 16 0 2 48.86 1.864 4 0.307 3 1 28.23 3.161 8 0.68 14 2 0 39.84 2.262 4 0.07 3 7 2 49.20 1.852 8 0.124 4 1 28.60 3.121 8 0.18 6 6 0 40.23 2.242 4 0.20 10 4 3 49.26 1.850 8 0.337 1 2 29.03 3.076 8 0.81 0 4 3 40.54 2.225 4 0.19 0 6 3 49.46 1.843 4 0.266 4 0 29.14 3.064 4 2.5 9 5 1 40.64 2.220 8 0.10 0 8 0 49.60 1.838 2 0.066 2 2 29.33 3.045 8 1.3 9 1 3 40.93 2.205 8 0.67 12 6 0 49.64 1.837 4 0.29

AET

AlP

O–8

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

AFG Afghanite

CHEMICAL COMPOSITION: |(Na17.4K3.4Ca10.7)(SO4)6.3Cl5.7F0.1| [Si24.3Al23.7O96]Pitigliano, Tuscany, Italy

REFINED COMPOSITION: |(Na10.134K5.304Ca9.332)((SO4)6Cl5.8F0.18)| [Si24Al24O96]

CRYSTAL DATA: P31c (No. 159)a = 12.801 A b = 12.801 A c = 21.412 Aα = 90◦ β = 90◦ γ = 120◦

X-ray single crystal refinement, R = 0.045, Rw = 0.102

REFERENCE: P. Ballirano, E. Bonaccorsi, A. Maras and S. Merlino,Eur. J. Mineral. 9 21–30 (1997).


1 0 0 7.97 11.086 6 0.05 4 -1 3 31.69 2.824 12 3.1 4 -1 7 41.65 2.169 12 1.60 0 2 8.26 10.706 2 2.1 3 0 5 31.99 2.798 12 2.3 3 1 7 41.65 2.169 12 1.51 0 1 8.98 9.845 12 5.5 4 0 0 32.30 2.771 6 6.7 3 0 8 41.67 2.168 12 1.81 0 2 11.49 7.701 12 1.3 4 0 1 32.58 2.749 12 8.1 0 0 10 42.20 2.141 2 0.391 1 0 13.84 6.400 6 0.11 4 -2 4 32.60 2.747 6 1.4 3 3 0 42.36 2.133 6 26.51 0 3 14.76 6.001 12 9.3 2 2 4 32.60 2.747 6 1.1 5 0 3 42.70 2.117 12 0.122 0 0 15.99 5.543 6 0.08 3 -1 6 32.97 2.717 12 0.13 1 0 10 43.02 2.102 12 0.212 -1 2 16.13 5.494 6 0.23 2 1 6 32.97 2.717 12 0.13 4 2 0 43.18 2.095 12 1.41 1 2 16.13 5.494 6 0.18 2 0 7 33.46 2.678 12 0.16 2 1 9 43.75 2.069 12 0.462 0 1 16.52 5.366 12 2.4 0 0 8 33.48 2.677 2 26.0 3 -1 9 43.75 2.069 12 0.490 0 4 16.56 5.353 2 1.7 4 -1 4 33.61 2.666 12 4.6 6 -2 2 44.04 2.056 12 0.152 0 2 18.02 4.922 12 0.69 3 1 4 33.61 2.666 12 4.7 4 2 2 44.04 2.056 12 0.151 0 4 18.40 4.820 12 48.5 1 0 8 34.47 2.602 12 3.1 4 0 7 44.09 2.054 12 2.92 0 3 20.28 4.378 12 1.1 4 0 3 34.72 2.584 12 7.7 4 -2 8 44.11 2.053 6 3.42 1 0 21.20 4.190 12 2.6 3 0 6 34.95 2.567 12 0.12 2 2 8 44.11 2.053 6 3.23 -1 1 21.61 4.112 12 2.1 3 2 0 35.29 2.543 12 0.08 5 0 4 44.21 2.048 12 0.242 1 1 21.61 4.112 12 2.2 4 -1 5 35.96 2.498 12 3.2 2 -1 10 44.62 2.031 6 0.192 -1 4 21.64 4.106 6 1.2 3 1 5 35.96 2.498 12 3.1 1 1 10 44.62 2.031 6 0.191 1 4 21.64 4.106 6 1.4 5 -2 2 36.30 2.474 12 0.06 4 -1 8 44.90 2.019 12 0.081 0 5 22.25 3.995 12 26.1 2 -1 8 36.38 2.469 6 0.50 3 1 8 44.90 2.019 12 0.142 1 2 22.79 3.902 12 0.47 1 1 8 36.38 2.469 6 0.59 3 0 9 45.33 2.000 12 0.053 -1 2 22.79 3.902 12 0.47 4 0 4 36.51 2.461 12 18.3 2 0 10 45.41 1.997 12 0.352 0 4 23.10 3.851 12 4.4 4 1 0 37.16 2.419 12 6.3 5 1 0 45.56 1.991 12 0.923 0 0 24.08 3.695 6 100.0 2 0 8 37.31 2.410 12 0.33 6 -3 4 45.78 1.982 6 0.223 0 1 24.44 3.641 12 0.56 4 1 1 37.41 2.404 12 0.09 3 3 4 45.78 1.982 6 0.243 -1 3 24.64 3.613 12 2.2 5 -1 1 37.41 2.404 12 0.05 5 0 5 46.10 1.969 12 0.332 1 3 24.64 3.613 12 2.2 3 2 3 37.54 2.396 12 0.05 6 -1 2 46.38 1.958 12 0.101 0 6 26.23 3.397 12 0.05 3 0 7 38.19 2.356 12 0.66 5 1 2 46.38 1.958 12 0.082 0 5 26.30 3.389 12 1.9 4 -1 6 38.65 2.329 12 0.10 3 2 7 46.43 1.956 12 0.213 -1 4 27.02 3.299 12 36.4 3 1 6 38.65 2.329 12 0.09 5 -2 7 46.43 1.956 12 0.132 1 4 27.02 3.299 12 35.7 4 0 5 38.70 2.327 12 4.6 4 2 4 46.55 1.951 12 0.543 0 3 27.17 3.282 12 1.0 1 0 9 38.71 2.326 12 1.1 6 -2 4 46.55 1.951 12 0.492 2 0 27.88 3.200 6 1.5 5 -2 4 39.22 2.297 12 0.35 4 0 8 47.21 1.925 12 7.42 -1 6 28.64 3.117 6 0.50 3 2 4 39.22 2.297 12 0.23 5 1 3 47.40 1.918 12 0.041 1 6 28.64 3.117 6 0.48 5 -1 3 39.32 2.291 12 0.33 1 0 11 47.42 1.917 12 0.363 1 0 29.04 3.075 12 0.21 4 1 3 39.32 2.291 12 0.36 6 -2 5 48.36 1.882 12 0.074 -2 2 29.12 3.066 6 0.18 2 1 8 39.97 2.256 12 0.13 4 2 5 48.36 1.882 12 0.102 2 2 29.12 3.066 6 0.15 3 -1 8 39.97 2.256 12 0.14 3 1 9 48.37 1.882 12 0.494 -1 1 29.35 3.043 12 2.7 5 0 0 40.69 2.217 6 0.77 4 -1 9 48.37 1.882 12 0.513 1 1 29.35 3.043 12 2.6 5 0 1 40.92 2.205 12 0.43 5 1 4 48.80 1.866 12 2.03 0 4 29.37 3.041 12 1.7 4 0 6 41.24 2.189 12 0.20 6 -1 4 48.80 1.866 12 2.32 0 6 29.77 3.001 12 0.26 5 -2 5 41.28 2.187 12 0.27 3 0 10 49.18 1.853 12 0.233 -1 5 29.83 2.995 12 0.07 3 2 5 41.28 2.187 12 0.33 6 0 0 49.32 1.848 6 1.31 0 7 30.31 2.949 12 5.6 2 0 9 41.29 2.186 12 0.21 3 2 8 49.43 1.844 12 0.073 1 3 31.69 2.824 12 2.9 5 0 2 41.60 2.171 12 0.05 6 0 1 49.52 1.841 12 0.26

AFG

Afghanite

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

AFI Tetrapropylammonium Fluoride AlPO-5

CHEMICAL COMPOSITION: |(C3H7)4NF| [Al12P12O48](C3H7)4NF = tetrapropylammonium fluoride

REFINED COMPOSITION: |C12NF| [Al12P12O48]

CRYSTAL DATA: P6cc (No. 184)a = 13.740 A b = 13.740 A c = 8.474 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: S. Qiu, W. Pang, H. Kessler and J. L. Guth,Zeolites 9 440–444 (1989).


1 0 0 7.43 11.899 6 100.0 2 2 2 33.59 2.668 12 3.7 5 0 2 43.62 2.075 12 1.81 1 0 12.89 6.870 6 6.3 3 1 2 34.45 2.604 24 0.43 5 1 1 43.68 2.072 24 0.222 0 0 14.89 5.950 6 20.6 3 2 1 34.52 2.598 24 1.0 1 1 4 44.77 2.024 12 0.152 1 0 19.74 4.497 12 42.4 4 1 0 34.54 2.597 12 10.3 3 3 2 45.00 2.015 12 1.50 0 2 20.97 4.237 2 45.3 4 1 1 36.18 2.483 24 0.17 2 0 4 45.45 1.996 12 0.031 0 2 22.27 3.992 12 12.5 4 0 2 36.92 2.435 12 2.8 4 2 2 45.67 1.986 24 0.092 1 1 22.38 3.973 24 55.3 2 1 3 37.60 2.392 24 12.1 6 0 0 45.75 1.983 6 0.793 0 0 22.41 3.966 6 1.3 5 0 0 37.80 2.380 6 0.16 3 2 3 46.25 1.963 24 0.611 1 2 24.69 3.606 12 2.5 3 2 2 39.26 2.295 24 0.02 4 3 0 46.42 1.956 12 0.052 0 2 25.81 3.451 12 0.54 3 3 0 39.34 2.290 6 0.17 2 1 4 47.44 1.917 24 0.762 2 0 25.94 3.435 6 19.6 4 1 2 40.75 2.214 24 0.82 4 1 3 47.57 1.912 24 0.013 1 0 27.02 3.300 12 0.02 4 2 1 41.55 2.174 24 2.6 5 1 2 47.66 1.908 24 0.372 1 2 28.95 3.084 24 8.2 3 1 3 42.11 2.146 24 1.9 4 3 1 47.71 1.906 24 2.43 1 1 29.04 3.075 24 5.6 5 1 0 42.29 2.137 12 1.9 5 2 0 47.73 1.905 12 2.44 0 0 30.04 2.975 6 11.4 0 0 4 42.68 2.118 2 3.03 0 2 30.88 2.896 12 0.03 1 0 4 43.38 2.086 12 0.64

AFI

Tetrapropylam

monium

Fluoride

AlP

O-5

504030201002 theta (°)

60

50

40

30

20

10

0

AFN AlPO–14, Calcined



CRYSTAL DATA: P1 (No. 2)a = 9.7041 A b = 9.7361 A c = 10.202 Aα = 77.811◦ β = 77.504◦ γ = 87.691◦

X-ray Rietveld refinement, RF = 0.059, RP = 0.114, RwP = 0.135

REFERENCE: R. W. Broach, S. T. Wilson and R. M. Kirchner,in Proceedings of the 12th International Zeolite Conference,Ed. by M. M. J. Treacy, B. K. Marcus, J. B. Higgins and M. E. Bisher(Materials Research Society: Warrendale) vol. III 1715–1722 (1999).


0 0 1 9.08 9.744 2 100.0 0 3 1 27.71 3.219 2 0.90 -3 1 2 37.27 2.413 2 0.911 0 0 9.33 9.474 2 4.9 3 0 1 27.78 3.211 2 0.44 1 4 1 37.78 2.381 2 1.21 0 1 11.56 7.655 2 36.1 0 3 0 28.13 3.172 2 1.2 4 1 1 37.90 2.374 2 0.610 1 1 11.57 7.647 2 53.6 3 0 0 28.26 3.158 2 2.2 2 -2 3 38.43 2.343 2 0.811 -1 0 13.15 6.733 2 66.3 3 1 1 28.78 3.102 2 1.1 0 4 2 38.51 2.338 2 0.421 1 0 13.22 6.695 2 2.5 1 2 3 29.58 3.020 2 0.42 -2 2 3 38.60 2.332 2 0.671 1 1 13.65 6.488 2 37.5 1 -3 0 29.65 3.013 2 0.42 4 1 2 38.85 2.318 2 0.410 -1 1 14.30 6.196 2 7.1 1 3 0 29.75 3.003 2 6.8 3 3 2 39.10 2.304 2 1.6

-1 0 1 14.36 6.168 2 6.5 3 1 0 29.86 2.992 2 2.7 -1 1 4 39.39 2.287 2 0.861 -1 1 15.97 5.551 2 13.0 2 0 3 29.86 2.992 2 1.0 2 -3 2 39.67 2.272 2 0.90

-1 1 1 16.03 5.528 2 1.7 -1 3 1 29.88 2.990 2 15.3 -3 2 2 39.87 2.261 2 1.10 0 2 18.21 4.872 2 26.7 3 -1 1 29.92 2.987 2 6.7 -1 4 2 40.63 2.220 2 0.741 0 2 18.62 4.764 2 3.0 0 2 3 29.92 2.987 2 0.80 4 -1 2 40.65 2.220 2 1.20 2 0 18.65 4.758 2 1.8 0 3 2 30.26 2.953 2 1.8 2 -1 4 40.85 2.209 2 0.470 1 2 18.66 4.755 2 4.5 3 0 2 30.27 2.952 2 0.49 1 -4 1 41.49 2.176 2 0.412 0 0 18.73 4.737 2 0.40 1 -1 3 30.50 2.930 2 3.0 3 0 4 41.73 2.164 2 0.770 2 1 18.98 4.675 2 12.8 1 3 2 30.57 2.924 2 4.0 2 -4 0 42.42 2.131 2 0.442 0 1 19.01 4.669 2 9.2 3 1 2 30.61 2.921 2 1.5 4 -2 0 42.54 2.125 2 0.522 1 1 20.39 4.356 2 0.94 -1 1 3 30.61 2.920 2 3.0 -2 4 1 42.61 2.122 2 1.21 2 0 20.94 4.242 2 6.3 -2 -2 1 30.70 2.912 2 5.2 2 4 0 42.62 2.121 2 0.402 1 0 21.00 4.231 2 7.1 0 -1 3 30.88 2.896 2 1.1 4 -2 1 42.64 2.120 2 0.412 -1 1 21.98 4.044 2 28.1 -1 0 3 30.95 2.889 2 0.38 -1 -1 4 43.12 2.098 2 1.0

-1 2 1 22.00 4.041 2 8.9 -3 0 1 31.59 2.833 2 0.44 4 2 3 43.99 2.058 2 0.440 -1 2 22.16 4.012 2 6.6 -1 -2 2 31.61 2.830 2 0.42 -2 -2 3 44.24 2.047 2 3.4

-1 0 2 22.22 4.000 2 4.8 2 2 3 32.21 2.779 2 1.3 -3 -3 1 44.24 2.047 2 1.50 -2 1 22.43 3.964 2 0.57 2 3 1 32.60 2.746 2 3.9 1 1 5 44.40 2.040 2 2.01 -1 2 22.48 3.955 2 0.97 3 2 1 32.65 2.743 2 3.2 -3 3 2 44.52 2.035 2 0.38

-1 1 2 22.57 3.939 2 13.2 -1 3 2 32.86 2.725 2 1.8 2 -2 4 45.88 1.978 2 0.552 0 2 23.24 3.828 2 2.9 2 -1 3 33.02 2.712 2 2.6 3 4 2 46.02 1.972 2 0.800 2 2 23.26 3.824 2 1.7 -1 2 3 33.14 2.703 2 3.4 3 4 1 46.03 1.972 2 0.641 2 2 23.63 3.764 2 4.4 -1 -3 1 33.46 2.678 2 2.7 4 3 2 46.06 1.971 2 0.982 1 2 23.64 3.764 2 1.6 -3 -1 1 33.60 2.668 2 0.44 -1 -3 3 46.28 1.962 2 0.75

-2 1 1 23.65 3.763 2 2.0 -1 -1 3 34.06 2.632 2 1.0 -3 -1 3 46.43 1.956 2 0.45-1 -2 1 25.13 3.543 2 3.9 2 3 0 34.10 2.629 2 1.5 2 2 5 46.45 1.955 2 0.47-2 -1 1 25.20 3.534 2 4.3 3 2 0 34.16 2.624 2 0.83 1 5 1 47.35 1.920 2 0.762 2 1 25.44 3.501 2 0.80 3 1 3 34.93 2.569 2 0.78 4 0 4 47.51 1.914 2 0.47

-1 -1 2 25.60 3.479 2 1.6 1 3 3 34.93 2.568 2 1.4 5 1 1 47.52 1.913 2 0.522 -2 0 26.47 3.367 2 5.6 1 1 4 35.28 2.544 2 1.4 0 4 4 47.56 1.912 2 0.45

-1 2 2 26.52 3.361 2 1.2 2 -3 1 35.68 2.516 2 2.0 3 -4 0 47.73 1.905 2 0.462 2 0 26.63 3.348 2 12.7 -3 2 1 35.82 2.507 2 2.9 4 -3 0 47.79 1.903 2 0.461 1 3 26.72 3.336 2 2.9 -2 -2 2 36.81 2.442 2 1.3 5 -1 1 48.23 1.887 2 0.531 0 3 27.06 3.295 2 8.4 0 -3 2 36.88 2.437 2 0.48 -1 1 5 48.70 1.870 2 1.40 1 3 27.11 3.289 2 9.4 0 0 4 36.90 2.436 2 1.3 3 -4 1 49.06 1.857 2 0.980 0 3 27.46 3.248 2 4.2 1 2 4 37.05 2.426 2 0.42 -4 3 1 49.21 1.852 2 0.522 2 2 27.49 3.244 2 1.0 4 0 1 37.10 2.423 2 1.2 5 -1 2 49.41 1.845 2 0.45

AFN

AlP

O–14,

Calcined

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

AFO AlPO–41, Calcined



CRYSTAL DATA: P1121 (No. 4; unique axis c)a = 9.7179 A b = 13.7915 A c = 8.3591 Aα = 90◦ β = 90◦ γ = 110.6◦


REFERENCE: R. M. Kirchner and J. M. Bennett,Zeolites 14 523–528 (1994).


0 1 0 6.85 12.910 2 100.0 3 0 0 29.46 3.032 2 11.6 2 -5 2 39.88 2.261 4 0.731 0 0 9.72 9.097 2 42.8 3 -3 0 29.47 3.031 2 5.1 1 5 1 41.00 2.201 4 0.201 -1 0 9.73 9.094 2 35.6 0 4 1 29.67 3.011 4 0.86 2 -6 1 41.04 2.199 4 0.440 1 1 12.62 7.017 4 0.63 3 -1 1 29.78 3.000 4 1.4 0 6 0 41.99 2.152 2 0.310 2 0 13.72 6.455 2 41.9 3 -2 1 29.78 3.000 4 1.0 3 3 0 42.06 2.148 2 0.921 1 0 13.74 6.445 2 10.1 0 3 2 29.80 2.998 4 1.4 0 4 3 42.88 2.109 4 0.291 -2 0 13.75 6.441 2 8.6 3 0 1 31.38 2.850 4 0.43 2 -4 3 42.92 2.107 4 0.351 -1 1 14.39 6.154 4 0.22 2 1 2 31.45 2.845 4 2.8 3 -1 3 42.96 2.105 4 0.370 2 1 17.36 5.109 4 0.59 2 -3 2 31.45 2.844 4 4.4 3 -5 2 43.01 2.103 4 0.271 1 1 17.37 5.104 4 0.27 0 1 3 32.88 2.724 4 0.32 0 0 4 43.29 2.090 2 3.21 -2 1 17.38 5.102 4 0.43 2 3 0 33.32 2.689 2 1.4 3 3 1 43.50 2.081 4 0.452 -1 0 18.26 4.859 2 10.6 2 -5 0 33.33 2.688 2 4.6 3 -6 1 43.52 2.080 4 0.391 -3 0 19.47 4.559 2 0.53 1 -1 3 33.64 2.664 4 0.77 0 1 4 43.89 2.063 4 0.292 0 0 19.52 4.548 2 0.76 1 3 2 33.69 2.660 4 4.2 3 0 3 44.14 2.052 4 0.342 -2 0 19.52 4.547 2 0.92 1 -4 2 33.70 2.660 4 0.62 4 1 1 44.15 2.051 4 0.940 3 0 20.64 4.303 2 3.1 1 4 1 34.31 2.614 4 0.50 4 -5 1 44.17 2.051 4 0.812 -1 1 21.15 4.201 4 0.32 1 -5 1 34.32 2.613 4 0.43 1 -1 4 44.48 2.037 4 0.460 0 2 21.26 4.180 2 68.3 3 1 1 34.39 2.608 4 0.23 1 5 2 45.28 2.003 4 0.691 2 1 22.20 4.004 4 10.5 3 -4 1 34.40 2.607 4 1.00 2 4 2 45.30 2.002 4 0.221 -3 1 22.21 4.002 4 9.7 0 5 0 34.74 2.582 2 2.8 4 0 2 45.40 1.998 4 0.762 0 1 22.25 3.995 4 19.5 2 3 1 35.05 2.560 4 0.55 4 -4 2 45.41 1.997 4 0.932 -2 1 22.26 3.994 4 23.0 2 -5 1 35.07 2.559 4 0.53 1 1 4 45.64 1.988 4 0.190 1 2 22.36 3.976 4 3.3 0 2 3 35.08 2.558 4 0.33 1 -2 4 45.64 1.988 4 0.402 1 0 22.90 3.883 2 18.0 1 1 3 35.09 2.558 4 0.25 1 4 3 46.37 1.958 4 0.202 -3 0 22.91 3.881 2 15.9 1 -2 3 35.09 2.557 4 0.31 1 -5 3 46.38 1.958 4 0.300 3 1 23.25 3.826 4 13.5 2 2 2 35.17 2.552 4 0.26 3 -4 3 46.45 1.955 4 0.611 0 2 23.42 3.798 4 1.6 3 -2 2 35.23 2.548 4 0.32 5 -2 0 46.87 1.938 2 1.01 -1 2 23.42 3.798 4 4.7 0 5 1 36.42 2.467 4 0.53 5 -3 0 46.88 1.938 2 0.722 1 1 25.29 3.522 4 1.7 3 0 2 36.61 2.454 4 1.4 2 -5 3 46.97 1.934 4 0.282 -3 1 25.30 3.520 4 1.8 3 -3 2 36.62 2.454 4 2.2 2 -1 4 47.35 1.920 4 0.330 2 2 25.39 3.508 4 2.8 3 2 0 36.92 2.435 2 1.2 2 5 1 47.47 1.915 4 0.851 1 2 25.40 3.507 4 3.0 3 -5 0 36.94 2.433 2 1.1 2 -7 1 47.48 1.915 4 1.61 -2 2 25.40 3.506 4 2.1 4 -2 0 37.00 2.429 2 2.6 0 6 2 47.53 1.913 4 0.351 3 0 25.83 3.449 2 10.7 2 -1 3 37.20 2.417 4 0.28 3 3 2 47.59 1.911 4 0.351 -4 0 25.84 3.448 2 11.5 4 -1 0 37.67 2.388 2 0.76 3 4 0 47.84 1.901 2 0.862 2 0 27.68 3.222 2 1.6 1 -3 3 37.84 2.377 4 2.9 3 -7 0 47.87 1.900 2 0.382 -4 0 27.70 3.221 2 0.67 2 0 3 37.87 2.376 4 6.2 1 -3 4 47.88 1.900 4 0.333 -2 0 27.76 3.214 2 1.7 2 -2 3 37.87 2.376 4 2.2 1 6 1 48.00 1.895 4 0.311 3 1 27.98 3.188 4 0.64 0 3 3 38.49 2.339 4 4.5 1 -7 1 48.01 1.895 4 0.391 -4 1 27.99 3.187 4 0.32 4 -3 1 39.25 2.296 4 0.64 0 5 3 48.04 1.894 4 0.462 -1 2 28.16 3.169 4 2.1 1 -6 0 39.50 2.281 2 0.24 5 -2 1 48.20 1.888 4 0.441 2 2 28.98 3.081 4 0.85 4 0 0 39.63 2.274 2 1.4 0 3 4 48.42 1.880 4 0.431 -3 2 28.98 3.081 4 0.74 2 1 3 39.82 2.264 4 0.25 5 -4 1 49.29 1.849 4 0.242 0 2 29.01 3.077 4 0.29 2 -3 3 39.83 2.263 4 0.84 0 7 0 49.42 1.844 2 1.92 -2 2 29.02 3.077 4 0.33 2 3 2 39.86 2.261 4 0.44 2 -3 4 49.54 1.840 4 0.45

AFO

AlP

O–41,

Calcined

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

AFR Tetrapropylammonium SAPO–40

CHEMICAL COMPOSITION: |((C3H7)4NOH)4| [Si7Al29P28O128](C3H7)4NOH = tetrapropylammonium hydroxide

REFINED COMPOSITION: |((C3H7)4N)4| [Al32P32O128]

CRYSTAL DATA: Pccn (No. 56)a = 21.9443 A b = 13.6911 A c = 14.2486 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: L. B. McCusker and Ch. Baerlocher,Microporous and Mesoporous Materials 6 51–54 (1996).


1 1 0 7.61 11.616 4 100.0 6 0 2 27.41 3.254 4 29.6 0 6 0 39.49 2.282 2 2.52 0 0 8.06 10.972 2 83.4 6 2 0 27.65 3.226 4 11.1 9 1 2 39.62 2.275 8 0.610 0 2 12.42 7.124 2 83.9 3 0 4 27.86 3.203 4 55.7 3 0 6 39.91 2.259 4 2.81 0 2 13.07 6.776 4 5.2 6 1 2 28.19 3.166 8 7.1 5 2 5 39.95 2.257 8 0.513 1 0 13.73 6.452 4 80.7 0 2 4 28.24 3.160 4 1.7 8 3 2 40.40 2.233 8 1.80 1 2 14.01 6.320 4 75.2 4 3 2 28.35 3.147 8 3.2 1 2 6 40.41 2.232 8 2.72 0 2 14.83 5.975 4 0.72 1 2 4 28.54 3.128 8 1.7 7 2 4 40.53 2.226 8 0.522 2 0 15.26 5.808 4 5.7 3 1 4 28.62 3.118 8 2.9 10 0 0 41.13 2.194 2 0.492 1 2 16.18 5.476 8 1.8 0 4 2 28.94 3.085 4 1.8 9 2 2 41.30 2.186 8 6.03 0 2 17.38 5.104 4 15.1 1 4 2 29.23 3.055 8 6.5 0 6 2 41.56 2.173 4 0.690 2 2 17.97 4.936 4 0.45 4 0 4 29.91 2.988 4 0.46 5 4 4 42.00 2.151 8 1.41 2 2 18.42 4.816 8 34.7 6 2 2 30.42 2.939 8 6.4 3 2 6 42.13 2.145 8 1.34 1 1 18.50 4.795 8 0.84 4 1 4 30.63 2.919 8 4.8 2 5 4 42.44 2.130 8 1.73 1 2 18.55 4.782 8 35.6 4 4 0 30.79 2.904 4 3.3 4 6 0 42.93 2.107 4 2.12 2 2 19.72 4.502 8 10.4 3 2 4 30.82 2.901 8 2.3 10 0 2 43.13 2.097 4 1.21 3 0 19.87 4.468 4 62.3 7 0 2 31.17 2.869 4 2.5 5 0 6 43.32 2.089 4 1.51 1 3 20.20 4.396 8 0.72 3 4 2 31.47 2.843 8 1.4 3 6 2 43.44 2.083 8 2.94 0 2 20.43 4.347 4 21.9 7 1 2 31.86 2.808 8 5.2 7 5 0 43.90 2.062 4 1.34 2 0 20.75 4.281 4 3.6 0 3 4 31.87 2.808 4 1.6 9 3 2 43.98 2.059 8 1.81 3 1 20.83 4.263 8 1.7 5 0 4 32.37 2.766 4 8.4 8 4 2 44.18 2.050 8 0.875 1 0 21.26 4.179 4 4.2 8 0 0 32.64 2.743 2 0.86 6 4 4 44.27 2.046 8 0.672 1 3 21.39 4.153 8 2.9 2 3 4 32.92 2.720 8 1.6 3 3 6 44.77 2.024 8 1.24 1 2 21.45 4.143 8 21.7 4 4 2 33.32 2.689 8 5.3 4 5 4 44.90 2.019 8 0.704 2 1 21.68 4.100 8 1.9 6 3 2 33.83 2.649 8 4.9 9 0 4 45.06 2.012 4 1.73 2 2 21.72 4.092 8 22.1 7 2 2 33.87 2.646 8 0.95 6 0 6 45.54 1.992 4 1.55 1 1 22.17 4.010 8 2.4 3 3 4 34.20 2.622 8 0.55 9 1 4 45.57 1.991 8 2.03 3 0 22.97 3.872 4 25.8 5 2 4 34.99 2.564 8 1.8 7 5 2 45.80 1.981 8 1.10 3 2 23.14 3.843 4 10.4 8 0 2 35.05 2.560 4 0.75 11 1 0 45.97 1.974 4 1.11 2 3 23.15 3.842 8 3.3 0 5 2 35.11 2.556 4 16.4 4 3 6 46.16 1.967 8 0.491 3 2 23.50 3.785 8 7.0 8 1 2 35.68 2.516 8 0.50 8 3 4 46.27 1.962 8 0.605 0 2 23.81 3.737 4 32.8 6 1 4 35.79 2.509 8 4.6 1 7 0 46.62 1.948 4 1.74 2 2 24.25 3.669 8 17.4 4 3 4 35.93 2.500 8 3.5 5 5 4 46.68 1.946 8 1.86 0 0 24.34 3.657 2 0.70 6 4 0 35.93 2.499 4 6.1 1 4 6 46.74 1.943 8 0.852 3 2 24.54 3.627 8 3.6 2 5 2 36.08 2.489 8 2.8 6 6 0 46.93 1.936 4 0.695 1 2 24.70 3.605 8 23.5 7 3 2 37.01 2.429 8 0.66 9 2 4 47.07 1.930 8 2.05 2 1 24.90 3.576 8 0.56 3 5 2 37.26 2.413 8 1.1 2 4 6 47.32 1.921 8 1.00 0 4 25.00 3.562 2 1.8 2 4 4 37.34 2.408 8 1.4 6 2 6 47.54 1.912 8 1.30 1 4 25.84 3.447 4 4.4 9 1 0 37.46 2.400 4 2.3 0 7 2 48.25 1.886 4 3.20 4 0 26.03 3.423 2 33.2 6 2 4 37.62 2.391 8 1.8 7 1 6 48.55 1.875 8 2.64 3 1 26.16 3.407 8 0.73 0 0 6 37.89 2.375 2 2.0 6 5 4 48.78 1.867 8 4.31 1 4 26.17 3.406 8 5.4 6 4 2 38.16 2.358 8 9.4 11 2 2 49.26 1.850 8 1.13 3 2 26.19 3.402 8 7.4 0 1 6 38.47 2.340 4 4.0 8 4 4 49.69 1.835 8 0.692 0 4 26.30 3.388 4 1.3 3 4 4 38.50 2.339 8 3.8 12 0 0 49.87 1.829 2 4.82 1 4 27.11 3.289 8 0.49 1 1 6 38.70 2.327 8 0.48 3 7 2 49.93 1.826 8 0.992 4 0 27.29 3.267 4 6.4 9 0 2 39.04 2.307 4 0.55 6 3 6 49.96 1.825 8 0.52

AFR

Tetrapropylam

monium

SAPO

–40

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

AFS Di-n-propylamine MAPSO–46

CHEMICAL COMPOSITION: |((C3H7)2NH2)8(H2O)14| [Mg6Al22P26Si2O112](C3H7)2NH2 = di-n-propylamine

REFINED COMPOSITION: |(C4N)6| [Al28P28O112]

CRYSTAL DATA: P3c1 (No. 158)a = 13.2251 A b = 13.2251 A c = 26.8922 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: J. M. Bennett and B. K. Marcus,in Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37 )Ed. by P. J. Grobet, W. J. Mortier, E. F. Vansant and G. Schulz-Ekloff(Elsevier: Amsterdam) 269–279 (1988).And J. M. Bennett, Private communication.


0 0 2 6.57 13.446 2 13.6 2 2 3 28.78 3.102 12 4.4 2 3 6 39.76 2.267 12 0.141 0 0 7.72 11.453 6 100.0 1 3 2 28.88 3.091 12 0.31 3 2 6 39.76 2.267 12 0.100 1 2 10.15 8.719 6 0.15 3 1 2 28.88 3.091 12 0.13 4 1 5 39.77 2.267 12 0.201 0 2 10.15 8.719 6 0.24 1 1 8 29.82 2.997 12 0.59 1 4 5 39.77 2.267 12 0.070 0 4 13.17 6.723 2 7.8 1 3 3 29.84 2.994 12 0.28 0 0 12 40.24 2.241 2 0.141 1 0 13.39 6.613 6 0.22 3 1 3 29.84 2.994 12 0.82 2 2 9 40.70 2.217 12 0.701 1 1 13.79 6.421 12 3.4 2 2 4 30.12 2.967 12 0.96 3 3 0 40.94 2.204 6 0.101 1 2 14.93 5.934 12 5.4 3 0 6 30.76 2.906 6 0.16 0 3 10 41.05 2.199 6 0.060 1 4 15.28 5.798 6 1.6 0 3 6 30.76 2.906 6 0.26 3 3 1 41.09 2.197 12 0.541 0 4 15.28 5.798 6 2.2 2 0 8 30.84 2.899 6 0.52 1 4 6 41.36 2.183 12 0.062 0 0 15.47 5.727 6 0.10 0 2 8 30.84 2.899 6 0.49 3 1 9 41.49 2.176 12 0.081 1 3 16.66 5.321 12 9.2 1 2 7 31.12 2.873 12 0.73 1 3 9 41.49 2.176 12 0.141 1 4 18.82 4.714 12 0.11 2 1 7 31.12 2.873 12 0.70 5 0 4 41.65 2.168 6 0.060 0 6 19.81 4.482 2 4.4 3 1 4 31.14 2.872 12 0.29 2 4 2 42.29 2.137 12 0.190 2 4 20.37 4.359 6 0.55 1 3 4 31.14 2.872 12 0.58 4 2 2 42.29 2.137 12 0.122 1 0 20.52 4.329 12 2.5 4 0 0 31.24 2.863 6 1.1 2 1 11 42.46 2.129 12 0.061 2 1 20.78 4.274 12 0.14 2 2 5 31.77 2.817 12 0.79 1 1 12 42.60 2.122 12 0.162 1 1 20.78 4.274 12 0.55 0 4 2 31.96 2.801 6 0.09 4 1 7 43.18 2.095 12 0.131 0 6 21.29 4.174 6 1.0 4 0 2 31.96 2.801 6 0.14 1 4 7 43.18 2.095 12 0.131 1 5 21.29 4.173 12 2.0 1 1 9 32.89 2.723 12 1.8 2 0 12 43.36 2.087 6 0.121 2 2 21.57 4.121 12 3.6 2 2 6 33.68 2.661 12 0.21 2 2 10 43.37 2.086 12 0.152 1 2 21.57 4.121 12 6.7 0 4 4 34.03 2.634 6 0.19 2 3 8 43.73 2.070 12 0.201 2 3 22.81 3.898 12 5.3 4 0 4 34.03 2.634 6 0.28 3 2 8 43.73 2.070 12 0.292 1 3 22.81 3.898 12 1.4 3 2 0 34.12 2.628 12 0.20 2 4 4 43.95 2.060 12 0.081 1 6 23.99 3.710 12 3.2 2 3 1 34.29 2.615 12 0.58 4 2 4 43.95 2.060 12 0.093 0 2 24.23 3.673 6 2.1 3 2 1 34.29 2.615 12 0.68 5 1 0 44.02 2.057 12 0.810 3 2 24.23 3.673 6 1.4 3 1 6 34.61 2.592 12 0.13 1 5 1 44.15 2.051 12 0.232 1 4 24.46 3.640 12 0.61 1 3 6 34.61 2.592 12 0.08 5 1 1 44.15 2.051 12 0.181 2 4 24.46 3.640 12 0.08 3 0 8 35.58 2.523 6 0.08 3 3 5 44.42 2.040 12 0.190 2 6 25.23 3.530 6 0.55 0 3 8 35.58 2.523 6 0.09 3 3 6 45.88 1.978 12 0.252 0 6 25.23 3.530 6 0.20 2 2 7 35.83 2.506 12 0.37 1 1 13 45.97 1.974 12 0.592 1 5 26.43 3.372 12 0.30 4 1 0 35.93 2.499 12 1.7 2 3 9 46.00 1.973 12 0.071 2 5 26.43 3.372 12 0.48 1 1 10 36.05 2.491 12 0.10 1 3 11 46.89 1.937 12 0.070 0 8 26.52 3.362 2 0.49 1 2 9 36.54 2.459 12 0.49 3 1 11 46.89 1.937 12 0.121 1 7 26.84 3.322 12 5.7 2 1 9 36.54 2.459 12 0.66 3 3 7 47.56 1.912 12 0.133 0 4 26.85 3.320 6 0.35 4 1 2 36.57 2.457 12 0.08 6 0 0 47.64 1.909 6 0.500 3 4 26.85 3.320 6 0.69 3 2 4 36.72 2.447 12 0.07 3 2 10 48.43 1.879 12 0.092 2 0 26.97 3.306 6 0.94 2 0 10 36.93 2.434 6 0.13 2 3 10 48.43 1.879 12 0.082 2 1 27.17 3.282 12 0.25 0 2 10 36.93 2.434 6 0.09 2 1 13 48.79 1.866 12 0.251 0 8 27.66 3.225 6 0.08 4 0 6 37.26 2.413 6 0.25 1 2 13 48.79 1.866 12 0.172 2 2 27.79 3.211 12 2.2 0 4 6 37.26 2.413 6 0.07 2 2 12 49.11 1.855 12 0.093 1 1 28.29 3.155 12 0.51 4 1 3 37.35 2.407 12 0.09 1 1 14 49.41 1.845 12 0.221 3 1 28.29 3.155 12 0.57 1 4 3 37.35 2.407 12 0.13 3 3 8 49.45 1.843 12 0.192 1 6 28.67 3.114 12 0.94 1 3 8 39.01 2.309 12 0.07 6 0 4 49.65 1.836 6 0.091 2 6 28.67 3.114 12 0.58 5 0 0 39.33 2.291 6 0.10 0 6 4 49.65 1.836 6 0.09

AFS

Di-n-propylam

ineM

APSO

–46

504030201002 theta (°)

14

12

10

8

6

4

2

0

AFT AlPO–52, Calcined, Rehydrated

CHEMICAL COMPOSITION: |(H2O)x | [Al36P36O144]Partially Rehydrated.



X-ray Rietveld refinement, Rexp = 0.130, Rwp = 0.197, Rp = 0.173

REFERENCE: N. K. McGuire, C. A. Bateman, C. S. Blackwell, S. T. Wilsonand R. M. Kirchner, Zeolites 15 460–469 (1995).


1 0 0 7.44 11.878 6 0.05 4 0 2 30.71 2.912 12 9.5 4 0 9 40.90 2.207 12 0.581 0 1 8.02 11.027 12 69.6 2 0 9 31.02 2.883 12 0.69 5 0 5 40.92 2.205 12 0.441 0 2 9.54 9.273 12 100.0 4 -1 5 31.05 2.880 12 0.12 4 -1 10 40.93 2.205 12 0.051 0 3 11.64 7.601 12 36.5 1 0 10 31.06 2.879 12 3.1 6 -2 3 41.24 2.189 12 0.080 0 4 11.93 7.419 2 0.06 2 1 8 31.28 2.860 12 1.4 4 2 4 42.05 2.148 12 0.151 1 0 12.91 6.857 6 41.0 3 -1 8 31.28 2.860 12 3.3 6 -2 4 42.05 2.148 12 0.131 0 4 14.07 6.292 12 3.3 4 0 3 31.45 2.844 12 5.5 5 1 2 42.83 2.112 12 0.062 0 1 15.21 5.823 12 4.8 2 2 6 31.75 2.818 6 0.26 6 -2 5 43.08 2.100 12 0.072 0 2 16.07 5.514 12 11.2 4 -2 6 31.75 2.818 6 0.97 4 2 5 43.08 2.100 12 0.111 0 5 16.70 5.309 12 0.21 4 0 4 32.48 2.757 12 1.2 4 0 10 43.09 2.099 12 0.482 0 3 17.42 5.092 12 5.8 5 -2 1 33.01 2.713 12 0.07 3 0 12 43.13 2.097 12 1.20 0 6 17.93 4.946 2 17.7 3 2 1 33.01 2.713 12 0.06 3 1 11 43.35 2.087 12 0.052 0 4 19.14 4.636 12 1.2 5 -2 2 33.43 2.680 12 0.18 1 0 14 43.36 2.087 12 0.081 0 6 19.44 4.566 12 0.09 3 2 2 33.43 2.680 12 0.55 5 1 3 43.39 2.085 12 0.083 -1 1 20.00 4.439 12 4.9 3 -1 9 33.73 2.658 12 3.2 6 -3 6 43.62 2.075 6 1.82 1 1 20.00 4.439 12 7.2 2 1 9 33.73 2.658 12 1.9 3 3 6 43.62 2.075 6 0.962 1 2 20.67 4.297 12 15.5 4 0 5 33.75 2.656 12 0.05 5 0 7 43.68 2.072 12 0.053 -1 2 20.67 4.297 12 6.9 2 0 10 33.76 2.655 12 0.61 5 1 4 44.17 2.050 12 0.062 1 3 21.74 4.088 12 9.7 1 0 11 34.08 2.631 12 0.35 6 -1 4 44.17 2.050 12 0.073 -1 3 21.74 4.088 12 3.1 5 -2 3 34.13 2.627 12 0.41 5 -1 9 44.46 2.038 12 0.052 -1 6 22.16 4.011 6 2.1 3 2 3 34.13 2.627 12 0.39 6 -1 5 45.16 2.008 12 0.051 1 6 22.16 4.011 6 0.06 4 1 0 34.61 2.592 12 5.4 2 2 12 45.21 2.006 6 0.051 0 7 22.26 3.993 12 2.5 4 1 1 34.74 2.582 12 0.13 4 -2 12 45.21 2.006 6 0.063 0 0 22.46 3.959 6 1.6 5 -1 1 34.74 2.582 12 0.06 5 0 8 45.33 2.000 12 0.242 1 4 23.16 3.841 12 1.9 5 -2 4 35.08 2.558 12 0.22 4 0 11 45.42 1.997 12 0.253 -1 4 23.16 3.841 12 0.13 4 0 6 35.25 2.546 12 0.04 4 2 7 45.74 1.984 12 0.063 -1 5 24.87 3.580 12 0.29 4 1 3 35.81 2.507 12 0.04 6 -2 7 45.74 1.984 12 0.061 0 8 25.15 3.541 12 7.2 5 -2 5 36.28 2.476 12 0.11 6 0 0 45.84 1.980 6 0.222 0 7 25.82 3.450 12 0.11 2 1 10 36.29 2.476 12 0.76 1 0 15 46.54 1.952 12 0.562 2 0 25.99 3.429 6 13.6 3 -1 10 36.29 2.476 12 1.1 7 -3 1 46.61 1.948 12 0.092 2 2 26.68 3.341 6 0.04 0 0 12 36.33 2.473 2 0.10 4 3 1 46.61 1.948 12 0.153 0 5 27.07 3.294 12 0.11 2 0 11 36.58 2.456 12 0.10 7 -3 2 46.93 1.936 12 0.123 1 1 27.24 3.274 12 0.40 4 0 7 36.96 2.432 12 0.10 4 3 2 46.93 1.936 12 0.634 -1 2 27.74 3.216 12 0.31 5 -1 5 37.88 2.375 12 0.12 5 0 9 47.15 1.927 12 1.33 1 2 27.74 3.216 12 0.93 5 0 2 38.37 2.346 12 0.38 4 2 8 47.33 1.920 12 0.041 0 9 28.08 3.177 12 6.9 2 -1 12 38.70 2.326 6 0.04 6 -2 8 47.33 1.920 12 0.132 0 8 28.37 3.146 12 0.87 1 1 12 38.70 2.326 6 0.06 2 1 14 47.43 1.917 12 0.084 -1 3 28.56 3.125 12 0.91 4 0 8 38.85 2.318 12 0.34 7 -3 3 47.46 1.916 12 0.073 1 3 28.56 3.125 12 0.51 3 -1 11 38.95 2.312 12 0.11 4 3 3 47.46 1.916 12 0.092 2 4 28.68 3.112 6 0.05 2 1 11 38.95 2.312 12 0.06 5 2 0 47.82 1.902 12 2.03 0 6 28.89 3.091 12 0.20 5 0 3 38.99 2.310 12 1.0 7 -2 1 47.93 1.898 12 0.062 1 7 28.97 3.082 12 0.49 3 3 0 39.42 2.286 6 0.31 2 0 15 48.50 1.877 12 0.153 -1 7 28.97 3.082 12 1.2 5 0 4 39.85 2.262 12 1.3 5 -1 11 48.72 1.869 12 0.064 -1 4 29.67 3.011 12 0.53 4 2 1 40.29 2.238 12 0.04 5 0 10 49.13 1.855 12 1.64 0 1 30.25 2.955 12 5.3 3 0 11 40.46 2.229 12 0.07 1 0 16 49.75 1.833 12 0.42

AFT

AlP

O–52,

Calcined,

Rehydrated

504030201002 theta (°)

70

60

50

40

30

20

10

0

AFX SAPO–56

CHEMICAL COMPOSITION: [Si5Al23P20O96]



X-ray Rietveld refinement, Rexp = 0.068, Rwp = 0.219

REFERENCE: N. K. McGuire, C. S. Blackwell, C. A. Bateman, S. T. Wilson andR. M. Kirchner, Microporous and Mesoporous Materials 28 125–137 (1999).


1 0 0 7.42 11.918 6 30.0 4 0 1 30.33 2.947 12 10.3 3 -1 8 41.39 2.182 12 0.051 0 1 8.64 10.231 12 100.0 2 0 6 30.79 2.903 12 1.8 2 1 8 41.39 2.182 12 0.041 0 2 11.57 7.649 12 54.0 4 0 2 31.33 2.855 12 9.0 5 -1 5 41.44 2.179 12 0.171 1 0 12.87 6.881 6 43.2 4 -2 4 31.59 2.832 6 0.21 4 1 5 41.44 2.179 12 0.112 0 0 14.87 5.959 6 1.4 2 2 4 31.59 2.832 6 0.87 3 1 7 41.85 2.158 12 0.031 0 3 15.26 5.807 12 0.25 1 0 7 32.30 2.772 12 1.4 6 -2 3 42.37 2.133 12 0.032 0 1 15.52 5.710 12 8.0 4 -1 4 32.50 2.755 12 0.05 4 2 3 42.37 2.133 12 0.072 -1 2 15.65 5.664 6 0.06 3 2 0 32.75 2.734 12 0.05 6 -1 1 42.47 2.128 12 0.051 1 2 15.65 5.664 6 0.05 4 0 3 32.94 2.719 12 0.25 3 0 8 42.82 2.112 12 1.12 0 2 17.33 5.116 12 8.7 3 2 1 33.07 2.709 12 0.08 5 -2 6 42.82 2.112 12 0.020 0 4 17.78 4.987 2 19.1 5 -2 1 33.07 2.709 12 0.07 6 -1 2 43.23 2.093 12 0.271 0 4 19.29 4.601 12 1.5 3 -1 6 33.50 2.675 12 3.9 5 1 2 43.23 2.093 12 0.042 1 0 19.71 4.505 12 4.4 2 1 6 33.50 2.675 12 4.0 6 -3 4 43.42 2.084 6 0.992 0 3 20.01 4.438 12 0.85 3 2 2 34.00 2.637 12 1.0 3 3 4 43.42 2.084 6 1.62 1 1 20.21 4.394 12 7.3 5 -2 2 34.00 2.637 12 0.24 4 0 7 43.96 2.059 12 0.423 -1 1 20.21 4.394 12 14.8 4 1 0 34.49 2.601 12 4.6 5 0 5 44.26 2.046 12 0.033 -1 2 21.65 4.105 12 15.7 5 -1 1 34.79 2.579 12 0.04 6 -1 3 44.46 2.038 12 0.092 1 2 21.65 4.105 12 3.8 2 0 7 34.90 2.571 12 0.43 5 1 3 44.46 2.038 12 0.041 1 4 22.01 4.038 6 1.5 4 0 4 35.08 2.558 12 0.09 4 -2 8 44.89 2.019 6 0.223 0 0 22.38 3.973 6 2.5 5 -2 3 35.50 2.529 12 0.17 0 0 10 45.47 1.995 2 0.083 0 1 22.82 3.896 12 0.02 3 2 3 35.50 2.529 12 0.49 4 -1 8 45.57 1.991 12 0.051 0 5 23.51 3.783 12 4.7 5 -1 2 35.68 2.517 12 0.05 3 -1 9 45.61 1.989 12 0.103 -1 3 23.86 3.729 12 0.32 0 0 8 36.02 2.494 2 0.04 6 0 0 45.67 1.986 6 0.132 1 3 23.86 3.729 12 0.15 1 0 8 36.82 2.441 12 0.03 5 -2 7 46.00 1.973 12 0.043 0 2 24.11 3.691 12 0.03 4 1 3 37.12 2.422 12 0.17 1 0 10 46.13 1.968 12 0.902 2 0 25.90 3.440 6 12.6 5 -1 3 37.12 2.422 12 0.05 6 -1 4 46.15 1.967 12 0.073 0 3 26.13 3.410 12 0.07 2 1 7 37.34 2.408 12 0.58 4 2 5 46.29 1.961 12 0.093 -1 4 26.67 3.343 12 0.36 3 -1 7 37.34 2.408 12 0.19 4 3 0 46.34 1.959 12 0.072 1 4 26.67 3.343 12 0.85 3 2 4 37.51 2.398 12 0.06 7 -3 1 46.58 1.950 12 0.360 0 6 26.81 3.325 2 0.04 5 -2 4 37.51 2.398 12 0.02 4 3 1 46.58 1.950 12 0.062 0 5 26.89 3.315 12 0.25 4 -2 6 37.62 2.391 6 0.04 5 0 6 46.90 1.937 12 2.43 1 0 26.97 3.305 12 0.05 4 0 5 37.68 2.387 12 0.21 7 -3 2 47.28 1.923 12 0.144 -1 1 27.35 3.261 12 0.71 5 0 1 38.02 2.367 12 0.11 4 3 2 47.28 1.923 12 0.253 1 1 27.35 3.261 12 0.06 2 -1 8 38.39 2.344 6 0.27 5 -1 7 47.32 1.921 12 0.171 0 6 27.86 3.203 12 11.9 4 -1 6 38.40 2.344 12 0.02 4 1 7 47.32 1.921 12 0.094 -1 2 28.45 3.138 12 0.88 5 0 2 38.84 2.318 12 1.7 1 1 10 47.45 1.916 6 0.023 1 2 28.45 3.138 12 1.2 2 0 8 39.16 2.300 12 0.04 4 0 8 47.55 1.912 12 0.093 0 4 28.73 3.107 12 0.22 3 3 0 39.28 2.294 6 0.35 5 2 0 47.65 1.908 12 2.62 -1 6 29.84 2.994 6 0.09 5 -2 5 39.97 2.255 12 0.07 7 -2 1 47.88 1.900 12 0.021 1 6 29.84 2.994 6 0.04 3 2 5 39.97 2.255 12 0.08 2 0 10 48.10 1.892 12 0.203 -1 5 29.92 2.987 12 1.1 5 0 3 40.19 2.244 12 1.1 3 3 6 48.20 1.888 6 0.032 1 5 29.92 2.987 12 2.6 6 -2 1 40.30 2.238 12 0.16 6 0 4 49.39 1.845 12 0.044 0 0 29.99 2.979 6 2.0 4 0 6 40.66 2.219 12 1.2 4 -1 9 49.51 1.841 12 0.063 1 3 30.19 2.960 12 0.45 4 2 2 41.08 2.197 12 0.11 5 2 3 49.70 1.834 12 0.034 -1 3 30.19 2.960 12 0.10 6 -2 2 41.08 2.197 12 0.24 5 0 7 49.88 1.828 12 1.7

AFX

SAPO

–56

504030201002 theta (°)

60

50

40

30

20

10

0

AFY Di-n-propylamine CoAPO–50

CHEMICAL COMPOSITION: |((C3H7)2NH)3(H2O)6.7| [Co3Al5P8O32](C3H7)2NH = di-n-propylamine

REFINED COMPOSITION: |(C4N)6| [Al6Co2P8O32]



REFERENCE: J. M. Bennett and B. K. Marcus,in Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37 )Ed. by P. J. Grobet, W. J. Mortier, E. F. Vansant and G. Schulz-Ekloff(Elsevier: Amsterdam) 269–279 (1988).and J. M. Bennett, Private communication.


0 1 0 8.01 11.039 6 100.0 2 0 3 33.97 2.639 6 0.34 5 -1 2 42.55 2.125 6 0.040 0 1 9.81 9.015 2 8.8 0 2 3 33.97 2.639 6 0.92 5 -4 2 42.55 2.125 6 0.320 1 1 12.68 6.983 6 5.1 0 4 1 33.97 2.639 6 1.1 4 1 2 42.55 2.125 6 0.061 1 0 13.89 6.373 6 2.8 4 0 1 33.97 2.639 6 0.12 1 4 2 42.55 2.125 6 0.010 2 0 16.06 5.520 6 1.2 4 -2 2 34.47 2.602 6 0.40 3 3 0 42.55 2.124 6 0.532 -1 1 17.04 5.204 6 3.1 2 2 2 34.47 2.602 6 0.60 2 0 4 43.36 2.087 6 0.281 1 1 17.04 5.204 6 0.04 1 3 2 35.44 2.533 6 0.04 4 2 0 43.37 2.086 6 0.470 2 1 18.85 4.707 6 0.04 4 -3 2 35.44 2.533 6 0.33 2 4 0 43.37 2.086 6 0.102 0 1 18.85 4.707 6 0.05 4 -1 2 35.44 2.533 6 0.79 3 3 1 43.78 2.068 6 0.020 0 2 19.69 4.508 2 0.05 3 1 2 35.44 2.533 6 0.06 6 -3 1 43.78 2.068 6 0.030 1 2 21.29 4.173 6 0.01 2 3 0 35.44 2.533 6 0.15 4 0 3 44.58 2.033 6 0.141 0 2 21.29 4.173 6 0.08 3 2 0 35.44 2.533 6 0.04 4 2 1 44.58 2.032 6 0.161 2 0 21.29 4.172 6 0.20 1 2 3 36.86 2.438 6 0.67 2 4 1 44.58 2.032 6 0.032 1 0 21.29 4.172 6 0.51 3 -1 3 36.86 2.438 6 0.07 6 -4 1 44.58 2.032 6 0.501 2 1 23.49 3.787 6 0.34 3 -2 3 36.86 2.438 6 0.04 6 -2 1 44.58 2.032 6 0.023 -1 1 23.49 3.787 6 12.5 2 1 3 36.86 2.438 6 0.36 1 2 4 45.75 1.983 6 0.543 -2 1 23.49 3.787 6 9.5 2 3 1 36.86 2.438 6 0.08 3 -1 4 45.75 1.983 6 0.081 1 2 24.18 3.680 6 1.3 3 2 1 36.86 2.438 6 0.16 5 0 2 45.76 1.983 6 0.292 -1 2 24.18 3.680 6 19.4 5 -2 1 36.86 2.438 6 0.08 0 5 2 45.76 1.983 6 0.180 3 0 24.19 3.680 6 3.6 4 1 0 37.33 2.409 6 1.9 5 1 0 45.76 1.983 6 0.332 0 2 25.51 3.491 6 3.1 1 4 0 37.33 2.409 6 1.3 1 5 0 45.76 1.983 6 0.400 2 2 25.51 3.491 6 0.48 0 4 2 38.24 2.354 6 0.10 5 -3 3 46.92 1.937 6 0.753 0 1 26.16 3.407 6 4.4 4 0 2 38.24 2.354 6 0.29 5 -2 3 46.92 1.937 6 0.520 3 1 26.16 3.407 6 3.0 3 0 3 38.68 2.328 6 0.02 3 2 3 46.92 1.937 6 0.152 2 0 28.00 3.187 6 0.06 5 -1 1 38.69 2.327 6 0.12 2 3 3 46.92 1.937 6 0.053 -2 2 29.16 3.062 6 3.6 5 -4 1 38.69 2.327 6 0.23 6 -1 1 46.92 1.936 6 0.033 -1 2 29.16 3.062 6 0.36 1 4 1 38.69 2.327 6 0.18 5 1 1 46.92 1.936 6 0.102 1 2 29.16 3.062 6 0.08 4 1 1 38.69 2.327 6 0.27 1 5 1 46.92 1.936 6 0.061 3 0 29.17 3.062 6 0.67 1 0 4 40.86 2.208 6 0.05 6 -5 1 46.92 1.936 6 0.043 1 0 29.17 3.062 6 0.43 0 1 4 40.86 2.208 6 0.29 0 3 4 47.29 1.922 6 0.080 0 3 29.73 3.005 2 0.26 5 -3 2 40.87 2.208 6 0.06 3 0 4 47.29 1.922 6 0.064 -2 1 29.73 3.005 6 9.2 5 -2 2 40.87 2.208 6 0.15 3 3 2 47.30 1.922 6 0.581 0 3 30.84 2.900 6 0.02 3 2 2 40.87 2.208 6 0.05 6 -3 2 47.30 1.922 6 0.520 1 3 30.84 2.900 6 0.18 0 5 0 40.87 2.208 6 0.11 4 2 2 48.06 1.893 6 0.084 -3 1 30.84 2.899 6 2.1 2 2 3 41.29 2.186 6 1.7 2 4 2 48.06 1.893 6 0.054 -1 1 30.84 2.899 6 1.5 4 -2 3 41.29 2.186 6 0.19 6 -2 2 48.06 1.893 6 0.021 3 1 30.84 2.899 6 0.07 4 -3 3 42.13 2.145 6 0.06 6 -4 2 48.06 1.893 6 0.063 1 1 30.84 2.899 6 0.06 3 1 3 42.13 2.145 6 0.05 5 -4 3 48.43 1.880 6 0.090 3 2 31.38 2.851 6 1.6 4 -1 3 42.13 2.145 6 0.03 5 -1 3 48.43 1.880 6 0.433 0 2 31.38 2.851 6 1.7 5 0 1 42.14 2.144 6 0.09 4 1 3 48.43 1.880 6 0.070 4 0 32.44 2.760 6 0.20 0 5 1 42.14 2.144 6 0.26 1 4 3 48.43 1.880 6 0.021 1 3 32.95 2.718 6 3.2 1 1 4 42.54 2.125 6 0.55 2 2 4 49.54 1.840 6 0.832 -1 3 32.95 2.718 6 0.13 2 -1 4 42.54 2.125 6 0.17 0 6 0 49.54 1.840 6 2.2

AFY

Di-n-propylam

ineCoA

PO

–50

504030201002 theta (°)

25

20

15

10

5

0

AHT AlPO – H2

CHEMICAL COMPOSITION: |(H2O)4| [Al6P6O24]

REFINED COMPOSITION: |(H2O)4| [Al6P6O24]


X-ray Rietveld refinement, Rwp = 0.127

REFERENCE: J. B. Higgins, R. M. Dessau, H-X. Li, M. E. Davis and J.M. Newsam,American Crystallographic Association Abstracts K005 39 (1993).


0 1 0 10.46 8.454 2 87.1 3 -3 1 33.67 2.662 4 2.1 3 -4 2 44.25 2.047 4 0.021 -1 0 10.47 8.452 2 100.0 0 1 3 34.78 2.579 4 0.45 2 2 2 44.26 2.046 4 0.431 0 0 10.94 8.089 2 4.1 1 -1 3 34.78 2.579 4 0.57 4 -2 2 44.27 2.046 4 0.500 1 1 15.12 5.858 4 4.7 1 0 3 34.93 2.568 4 0.23 0 4 1 44.28 2.045 4 0.321 -1 1 15.12 5.858 4 3.9 3 0 1 35.06 2.559 4 0.19 4 -4 1 44.29 2.045 4 0.121 0 1 15.46 5.733 4 0.17 1 -3 2 35.45 2.532 4 1.6 2 1 3 44.57 2.033 4 0.191 -2 0 17.89 4.957 2 14.8 2 -3 2 35.45 2.532 4 2.2 3 -1 3 44.57 2.033 4 0.291 1 0 18.73 4.738 2 5.7 1 2 2 36.20 2.482 4 0.34 0 0 4 44.60 2.032 2 3.92 -1 0 18.73 4.737 2 3.1 3 -2 2 36.20 2.481 4 0.56 1 3 2 45.11 2.010 4 0.281 -2 1 20.99 4.232 4 3.8 2 -4 0 36.24 2.478 2 1.1 4 -3 2 45.12 2.009 4 0.040 2 0 21.02 4.227 2 0.50 2 1 2 36.64 2.453 4 1.5 0 1 4 45.94 1.975 4 0.832 -2 0 21.02 4.226 2 0.21 3 -1 2 36.64 2.452 4 2.8 1 -1 4 45.94 1.975 4 0.341 1 1 21.71 4.093 4 13.4 1 -2 3 37.85 2.377 4 0.93 1 0 4 46.07 1.970 4 0.802 -1 1 21.72 4.092 4 11.4 2 -4 1 37.95 2.371 4 0.93 3 1 2 46.10 1.969 4 0.260 0 2 21.87 4.063 2 56.5 1 -4 0 37.97 2.370 2 0.15 4 -1 2 46.10 1.969 4 0.442 0 0 21.98 4.045 2 6.1 3 -4 0 37.97 2.370 2 0.02 2 -5 0 46.12 1.968 2 0.040 2 1 23.73 3.750 4 15.1 2 2 0 37.98 2.369 2 0.08 3 -5 0 46.12 1.968 2 0.032 -2 1 23.73 3.749 4 13.6 4 -2 0 37.99 2.368 2 0.20 4 0 1 46.26 1.962 4 0.060 1 2 24.30 3.662 4 12.2 1 1 3 38.27 2.351 4 3.2 0 3 3 46.50 1.953 4 0.351 -1 2 24.31 3.662 4 10.3 2 -1 3 38.28 2.351 4 0.89 3 -3 3 46.51 1.953 4 0.151 0 2 24.52 3.631 4 4.3 0 3 2 38.89 2.316 4 0.24 2 -5 1 47.53 1.913 4 1.02 0 1 24.59 3.621 4 0.23 3 -3 2 38.90 2.315 4 1.2 3 -5 1 47.54 1.913 4 0.881 -3 0 27.55 3.238 2 8.7 1 3 0 38.95 2.312 2 0.70 3 0 3 47.58 1.911 4 0.162 -3 0 27.55 3.238 2 12.4 4 -3 0 38.96 2.312 2 0.95 2 3 0 48.03 1.894 2 0.021 -2 2 28.40 3.142 4 8.1 2 -2 3 39.52 2.280 4 2.6 5 -3 0 48.04 1.894 2 0.171 2 0 28.48 3.134 2 0.01 1 -4 1 39.61 2.275 4 0.41 1 -2 4 48.42 1.880 4 1.73 -2 0 28.49 3.133 2 0.20 3 -4 1 39.62 2.275 4 0.64 0 4 2 48.55 1.875 4 0.291 1 2 28.95 3.084 4 5.4 2 2 1 39.63 2.274 4 0.63 4 -4 2 48.56 1.875 4 0.862 -1 2 28.95 3.084 4 5.8 4 -2 1 39.64 2.274 4 0.56 3 2 0 48.62 1.873 2 0.072 1 0 29.03 3.076 2 15.6 4 -1 0 40.06 2.251 2 0.01 1 1 4 48.77 1.867 4 1.33 -1 0 29.03 3.076 2 13.1 2 0 3 40.06 2.251 4 0.52 2 -1 4 48.77 1.867 4 1.41 -3 1 29.70 3.008 4 2.1 3 0 2 40.14 2.247 4 0.29 1 -5 0 48.94 1.861 2 0.052 -3 1 29.70 3.008 4 6.1 1 3 1 40.56 2.224 4 0.27 4 -5 0 48.95 1.861 2 0.010 2 2 30.52 2.929 4 2.8 4 -3 1 40.57 2.223 4 0.32 2 3 1 49.40 1.845 4 2.92 -2 2 30.52 2.929 4 2.5 3 1 1 41.63 2.169 4 1.1 5 -3 1 49.42 1.844 4 0.611 2 1 30.57 2.924 4 1.7 4 -1 1 41.64 2.169 4 0.64 0 2 4 49.80 1.831 4 1.83 -2 1 30.58 2.924 4 1.5 2 -4 2 42.73 2.116 4 0.30 2 -2 4 49.80 1.831 4 1.22 1 1 31.09 2.877 4 1.7 0 4 0 42.78 2.113 2 0.02 2 -4 3 49.87 1.829 4 0.123 -1 1 31.09 2.877 4 2.5 4 -4 0 42.79 2.113 2 0.26 1 4 0 49.98 1.825 2 2.42 0 2 31.20 2.866 4 3.7 1 -3 3 43.56 2.078 4 1.00 3 2 1 49.98 1.825 4 1.80 3 0 31.75 2.818 2 4.3 2 -3 3 43.56 2.077 4 0.55 5 -4 0 49.99 1.824 2 1.63 -3 0 31.76 2.817 2 6.0 1 2 3 44.19 2.049 4 0.36 5 -2 1 49.99 1.824 4 1.03 0 0 33.23 2.696 2 11.3 3 -2 3 44.20 2.049 4 0.120 3 1 33.66 2.662 4 2.3 1 -4 2 44.24 2.047 4 0.08

AH

TAlP

O–

H2

504030201002 theta (°)

35

30

25

20

15

10

5

0

ANA Analcime

CHEMICAL COMPOSITION: |Na16(H2O)16| [Si32Al16O96]Cyclopean Islands, Greece

REFINED COMPOSITION: |Na16(H2O)16| [Si32Al16O96]

CRYSTAL DATA: Ia3d (No. 230)a = 13.73 A b = 13.73 A c = 13.73 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: G. Ferraris, D. W. Jones and J. Yerkess,Z. Kristallogr. 135 240–252 (1972).


2 1 1 15.81 5.605 24 60.2 5 2 1 35.82 2.507 48 11.9 5 4 3 46.78 1.942 48 0.712 2 0 18.28 4.854 12 14.1 4 4 0 37.04 2.427 12 7.7 6 4 0 47.77 1.904 24 14.93 2 1 24.25 3.669 48 5.4 6 1 1 40.50 2.227 24 2.8 5 5 2 48.74 1.868 24 0.194 0 0 25.96 3.433 6 100.0 5 3 2 40.50 2.227 48 5.5 7 2 1 48.74 1.868 48 2.34 2 0 29.08 3.070 24 0.03 6 2 0 41.60 2.171 24 1.0 6 3 3 48.74 1.868 24 6.93 3 2 30.54 2.927 24 51.3 5 4 1 42.68 2.119 48 0.90 6 4 2 49.69 1.835 48 0.444 2 2 31.93 2.803 24 5.5 6 3 1 44.77 2.024 48 1.34 3 1 33.27 2.693 48 14.8 4 4 4 45.78 1.982 8 0.37

AN

AAnalcim

e

504030201002 theta (°)

70

60

50

40

30

20

10

0

APC AlPO–C, Hydrated


REFINED COMPOSITION: |(H2O)16O8| [Al16P16O64]

CRYSTAL DATA: Pbca (No. 61)a = 19.3525 A b = 9.7272 A c = 9.7621 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: J. J. Pluth and J. V. Smith,Acta Cryst. C42 1118–1120 (1986).


2 0 0 9.14 9.676 2 45.5 2 2 3 34.43 2.605 8 0.36 8 2 0 41.70 2.166 4 4.62 1 0 12.90 6.860 4 100.0 4 1 3 34.47 2.602 8 1.8 3 3 3 41.74 2.164 8 1.51 1 1 13.64 6.491 8 79.8 2 3 2 34.48 2.601 8 1.1 1 4 2 41.76 2.163 8 0.942 1 1 15.79 5.613 8 7.1 4 3 1 34.54 2.596 8 0.11 7 2 2 41.90 2.156 8 3.80 0 2 18.17 4.881 2 30.8 6 1 2 34.58 2.594 8 0.48 2 2 4 42.48 2.128 8 1.30 2 0 18.24 4.864 2 0.13 5 2 2 34.86 2.573 8 1.9 4 1 4 42.51 2.126 8 1.64 0 0 18.34 4.838 2 42.4 7 1 1 34.97 2.566 8 4.9 2 4 2 42.57 2.124 8 0.571 0 2 18.75 4.733 4 0.19 3 2 3 36.01 2.494 8 0.76 8 1 2 42.74 2.116 8 0.103 1 1 18.84 4.709 8 0.67 3 3 2 36.05 2.491 8 0.78 8 2 1 42.76 2.115 8 0.972 0 2 20.38 4.358 4 0.70 0 0 4 36.83 2.441 2 1.9 4 3 3 43.62 2.075 8 0.760 2 1 20.40 4.353 4 0.15 0 4 0 36.96 2.432 2 0.92 6 2 3 43.68 2.072 8 0.102 2 0 20.44 4.346 4 0.76 1 0 4 37.13 2.421 4 3.4 3 2 4 43.81 2.066 8 1.24 1 0 20.50 4.332 4 3.3 8 0 0 37.17 2.419 2 0.49 7 1 3 43.97 2.059 8 1.51 1 2 20.87 4.256 8 21.0 5 1 3 37.26 2.413 8 3.4 7 3 1 44.03 2.057 8 0.981 2 1 20.92 4.247 8 54.6 5 3 1 37.33 2.409 8 0.57 9 1 1 44.12 2.053 8 0.362 1 2 22.35 3.977 8 1.9 7 0 2 37.38 2.406 4 2.5 5 1 4 44.88 2.019 8 0.274 1 1 22.45 3.960 8 2.0 2 0 4 38.02 2.366 4 0.14 4 2 4 45.62 1.989 8 0.513 1 2 24.63 3.614 8 3.5 4 2 3 38.12 2.361 8 0.15 4 4 2 45.71 1.985 8 1.03 2 1 24.67 3.608 8 6.4 0 4 1 38.14 2.360 4 2.5 8 2 2 45.83 1.980 8 0.100 2 2 25.86 3.445 4 5.4 2 4 0 38.16 2.358 4 2.7 5 3 3 45.94 1.975 8 0.734 0 2 25.93 3.436 4 1.3 4 3 2 38.16 2.358 8 0.67 0 4 3 46.63 1.948 4 1.94 2 0 25.98 3.430 4 0.18 6 2 2 38.22 2.355 8 0.43 6 4 0 46.78 1.942 4 0.421 2 2 26.27 3.392 8 34.8 1 1 4 38.31 2.350 8 1.8 1 3 4 46.83 1.940 8 0.655 1 1 26.41 3.375 8 5.9 8 1 0 38.34 2.348 4 0.36 8 3 0 46.86 1.939 4 0.102 2 2 27.48 3.246 8 0.42 1 4 1 38.43 2.342 8 0.68 1 4 3 46.88 1.938 8 1.24 1 2 27.53 3.240 8 0.23 7 2 1 38.58 2.334 8 0.23 7 2 3 47.00 1.933 8 0.284 2 1 27.56 3.236 8 0.10 2 1 4 39.18 2.299 8 0.12 7 3 2 47.04 1.932 8 3.16 0 0 27.66 3.225 2 0.33 2 4 1 39.30 2.293 8 1.9 9 1 2 47.12 1.929 8 0.702 3 0 29.04 3.074 4 10.2 6 3 0 39.40 2.287 4 3.5 9 2 1 47.14 1.928 8 1.06 1 0 29.17 3.061 4 59.8 3 0 4 39.48 2.283 4 0.79 2 3 4 47.57 1.911 8 0.821 1 3 29.31 3.047 8 24.1 8 1 1 39.48 2.282 8 0.15 2 4 3 47.62 1.910 8 0.251 3 1 29.39 3.039 8 1.1 1 3 3 39.51 2.281 8 0.40 6 1 4 47.65 1.908 8 0.485 0 2 29.45 3.033 4 0.59 2 3 3 40.36 2.235 8 0.22 1 1 5 47.74 1.905 8 3.42 1 3 30.40 2.940 8 0.81 6 1 3 40.45 2.230 8 0.19 6 4 1 47.76 1.904 8 0.792 3 1 30.48 2.932 8 11.8 6 3 1 40.52 2.226 8 0.90 8 1 3 47.77 1.904 8 0.206 1 1 30.60 2.921 8 5.7 3 1 4 40.60 2.222 8 1.7 8 3 1 47.83 1.902 8 0.445 1 2 30.88 2.895 8 2.3 5 2 3 40.70 2.217 8 0.69 5 2 4 47.87 1.900 8 0.725 2 1 30.91 2.893 8 12.7 3 4 1 40.71 2.216 8 2.0 1 5 1 47.91 1.899 8 0.173 1 3 32.15 2.784 8 1.6 5 3 2 40.74 2.215 8 0.46 10 1 0 47.93 1.898 4 4.83 3 1 32.23 2.777 8 10.2 0 2 4 41.39 2.181 4 1.4 5 4 2 47.95 1.897 8 0.110 2 3 33.12 2.705 4 0.14 4 0 4 41.44 2.179 4 1.6 2 5 1 48.64 1.872 8 0.264 3 0 33.26 2.693 4 0.63 0 4 2 41.49 2.177 4 0.80 6 3 3 48.67 1.871 8 1.06 0 2 33.29 2.691 4 0.18 4 4 0 41.56 2.173 4 0.40 3 4 3 48.84 1.865 8 3.26 2 0 33.33 2.688 4 0.99 1 2 4 41.67 2.168 8 1.3 3 1 5 49.68 1.835 8 0.141 2 3 33.45 2.679 8 35.8 8 0 2 41.67 2.167 4 1.8 3 5 1 49.84 1.830 8 0.32

APC

AlP

O–C

,H

ydrated

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

APC AlPO–C, Dehydrated




X-ray Rietveld refinement, Rwp = 0.17, RF = 0.051; At T = 100◦C.

REFERENCE: E. B. Keller, W. M. Meier and R. M. Kirchner,Solid State Ionics 43 93–102 (1990).


2 0 0 8.92 9.908 2 0.01 6 1 2 34.94 2.568 8 1.4 6 3 2 43.49 2.081 8 0.062 1 0 12.55 7.055 4 100.0 0 2 3 35.02 2.562 4 0.50 3 4 2 43.55 2.078 8 0.031 1 1 14.00 6.327 8 37.6 5 2 2 35.15 2.553 8 2.3 3 1 4 43.72 2.071 8 0.022 1 1 16.01 5.537 8 8.8 1 2 3 35.33 2.541 8 3.8 5 4 1 43.86 2.064 8 0.030 2 0 17.65 5.023 2 3.0 0 4 0 35.75 2.512 2 3.6 0 2 4 44.38 2.041 4 1.74 0 0 17.90 4.954 2 40.4 3 3 2 36.17 2.483 8 0.14 4 0 4 44.49 2.036 4 0.283 1 1 18.90 4.696 8 0.80 8 0 0 36.27 2.477 2 0.04 1 2 4 44.63 2.030 8 2.22 2 0 19.81 4.481 4 0.01 4 1 3 36.31 2.474 8 0.02 4 3 3 44.63 2.030 8 0.040 0 2 19.87 4.468 2 39.2 5 3 1 36.54 2.459 8 0.92 7 1 3 45.10 2.010 8 0.620 2 1 20.28 4.379 4 0.06 2 4 0 36.92 2.435 4 0.04 4 4 2 45.28 2.003 8 0.561 0 2 20.38 4.358 4 4.0 0 4 1 37.18 2.418 4 0.82 2 2 4 45.37 1.999 8 0.241 2 1 20.77 4.276 8 27.4 1 4 1 37.47 2.400 8 0.09 4 1 4 45.45 1.996 8 0.112 2 1 22.19 4.005 8 4.2 7 0 2 37.61 2.391 4 0.15 8 2 2 45.60 1.989 8 0.131 1 2 22.23 3.998 8 8.0 3 2 3 37.66 2.389 8 0.43 9 0 2 45.95 1.975 4 0.044 1 1 22.35 3.978 8 1.9 7 2 1 37.84 2.377 8 2.1 2 5 0 46.09 1.969 4 0.172 1 2 23.57 3.774 8 5.9 4 3 2 38.18 2.357 8 0.16 9 2 1 46.14 1.967 8 0.013 0 2 24.05 3.701 4 0.05 6 3 0 38.27 2.352 4 2.9 6 4 1 46.55 1.951 8 0.014 2 0 25.25 3.527 4 0.03 2 4 1 38.32 2.349 8 0.02 1 5 1 46.55 1.951 8 0.253 1 2 25.65 3.473 8 0.13 6 2 2 38.34 2.348 8 0.05 7 3 2 46.67 1.946 8 0.325 1 1 26.15 3.408 8 4.9 7 1 2 38.71 2.326 8 0.57 5 0 4 46.68 1.946 4 0.080 2 2 26.70 3.338 4 4.2 8 1 1 38.77 2.322 8 0.07 10 1 0 46.72 1.944 4 3.24 0 2 26.87 3.318 4 2.9 5 1 3 38.87 2.317 8 0.47 8 3 1 46.73 1.944 8 0.101 2 2 27.09 3.292 8 6.3 6 3 1 39.63 2.274 8 0.19 9 1 2 46.88 1.938 8 0.154 2 1 27.18 3.281 8 0.19 3 4 1 39.69 2.271 8 0.20 0 4 3 47.34 1.920 4 0.042 3 0 28.13 3.173 4 8.1 4 4 0 40.26 2.240 4 0.49 1 4 3 47.58 1.911 8 0.142 2 2 28.21 3.164 8 1.6 0 0 4 40.38 2.234 2 0.35 5 1 4 47.60 1.910 8 0.714 1 2 28.33 3.150 8 0.28 8 2 0 40.61 2.222 4 0.27 10 1 1 47.88 1.900 8 0.146 1 0 28.45 3.137 4 26.1 5 3 2 40.64 2.220 8 0.51 7 2 3 47.89 1.900 8 0.961 3 1 28.82 3.097 8 3.3 1 0 4 40.64 2.220 4 0.20 4 2 4 48.22 1.887 8 0.602 3 1 29.88 2.990 8 5.2 0 4 2 41.23 2.189 4 0.12 2 4 3 48.28 1.885 8 0.065 0 2 30.14 2.965 4 0.38 2 0 4 41.44 2.179 4 0.12 3 5 1 48.43 1.879 8 0.116 1 1 30.19 2.960 8 2.8 1 4 2 41.49 2.176 8 0.69 8 1 3 48.66 1.871 8 0.025 2 1 30.42 2.938 8 5.5 4 4 1 41.56 2.173 8 0.76 4 5 0 48.91 1.862 4 0.065 1 2 31.46 2.844 8 2.3 2 3 3 41.59 2.171 8 0.02 6 0 4 49.25 1.850 4 0.031 1 3 31.66 2.826 8 5.1 1 1 4 41.67 2.167 8 1.5 1 3 4 49.25 1.850 8 0.344 3 0 32.26 2.775 4 0.03 8 0 2 41.69 2.166 4 0.17 6 3 3 49.38 1.846 8 0.354 2 2 32.34 2.768 8 0.17 6 1 3 41.82 2.160 8 1.2 3 4 3 49.43 1.844 8 0.032 1 3 32.63 2.744 8 2.0 7 2 2 41.84 2.159 8 0.76 10 2 0 49.44 1.843 4 0.066 0 2 33.75 2.656 4 0.02 8 2 1 41.90 2.156 8 0.60 7 4 1 49.58 1.839 8 0.061 3 2 33.75 2.655 8 0.80 5 2 3 41.99 2.152 8 0.03 9 2 2 49.60 1.838 8 0.024 3 1 33.83 2.650 8 0.06 2 1 4 42.45 2.130 8 0.09 2 3 4 49.93 1.826 8 0.096 2 1 34.00 2.637 8 0.10 8 1 2 42.70 2.118 8 0.06 6 4 2 49.98 1.825 8 0.023 1 3 34.21 2.621 8 0.81 3 3 3 42.88 2.109 8 0.68 1 5 2 49.98 1.825 8 1.67 1 1 34.41 2.606 8 2.3 7 3 1 43.04 2.101 8 0.912 3 2 34.68 2.587 8 1.9 9 1 1 43.27 2.091 8 0.08

APC

AlP

O–C

,D

ehydrated

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

APD AlPO–D



CRYSTAL DATA: Pca21 (No. 29)a = 19.187 A b = 8.576 A c = 9.804 Aα = 90◦ β = 90◦ γ = 90◦




2 0 0 9.22 9.594 2 0.38 7 1 0 34.35 2.611 4 0.10 8 1 2 43.30 2.089 8 0.121 1 0 11.30 7.829 4 0.45 3 3 0 34.36 2.610 4 1.0 7 2 2 43.31 2.089 8 0.142 0 1 12.91 6.857 4 100.0 4 1 3 34.83 2.576 8 0.28 6 3 1 43.45 2.083 8 0.101 1 1 14.48 6.118 8 3.7 1 2 3 34.83 2.576 8 0.32 1 4 1 43.46 2.082 8 0.802 1 1 16.55 5.355 8 0.95 6 1 2 35.10 2.557 8 0.14 2 2 4 43.57 2.077 8 0.453 1 0 17.30 5.127 4 4.9 7 1 1 35.58 2.523 8 0.09 5 3 2 43.58 2.077 8 1.20 0 2 18.10 4.902 2 7.4 3 3 1 35.60 2.522 8 4.7 9 1 0 43.75 2.069 4 1.64 0 0 18.50 4.797 2 18.8 2 2 3 35.79 2.509 8 3.4 8 2 1 44.25 2.047 8 1.23 1 1 19.54 4.543 8 17.0 6 2 1 36.22 2.480 8 3.0 2 4 1 44.26 2.046 8 0.812 0 2 20.34 4.365 4 13.9 5 2 2 36.37 2.470 8 0.20 7 1 3 44.41 2.040 8 0.984 0 1 20.61 4.309 4 20.9 0 3 2 36.38 2.469 4 0.28 3 3 3 44.42 2.039 8 0.400 2 0 20.71 4.288 2 89.1 4 3 0 36.59 2.456 4 0.26 3 4 0 44.57 2.033 4 0.150 1 2 20.87 4.256 4 2.6 0 0 4 36.66 2.451 2 3.3 9 1 1 44.77 2.024 8 0.574 1 0 21.22 4.186 4 2.8 1 3 2 36.69 2.449 8 3.8 6 2 3 44.94 2.017 8 1.31 2 0 21.23 4.185 4 0.28 3 2 3 37.34 2.408 8 0.16 5 1 4 45.15 2.008 8 0.921 1 2 21.39 4.155 8 15.0 8 0 0 37.50 2.398 2 1.2 3 4 1 45.57 1.990 8 0.162 1 2 22.86 3.890 8 3.8 2 3 2 37.61 2.391 8 0.89 7 3 0 45.86 1.978 4 0.144 1 1 23.10 3.850 8 3.7 5 1 3 37.64 2.390 8 0.06 0 4 2 46.21 1.964 4 0.501 2 1 23.11 3.849 8 1.4 4 3 1 37.76 2.382 8 0.77 4 3 3 46.24 1.963 8 0.082 2 1 24.48 3.636 8 12.1 2 0 4 37.89 2.375 4 1.1 4 4 0 46.39 1.957 4 0.333 2 0 25.00 3.562 4 0.23 0 1 4 38.19 2.357 4 0.54 1 4 2 46.47 1.954 8 0.313 1 2 25.13 3.543 8 10.4 1 1 4 38.49 2.339 8 0.19 6 0 4 46.69 1.945 4 0.515 1 0 25.43 3.503 4 2.1 8 0 1 38.65 2.330 4 0.09 4 2 4 46.70 1.945 8 0.184 0 2 25.99 3.428 4 11.3 8 1 0 38.99 2.310 4 0.23 7 3 1 46.84 1.939 8 0.553 2 1 26.63 3.348 8 0.49 7 2 0 39.00 2.309 4 0.09 8 0 3 46.99 1.934 4 0.815 1 1 27.03 3.299 8 7.3 7 1 2 39.09 2.304 8 0.07 8 2 2 47.21 1.925 8 0.600 2 2 27.64 3.227 4 2.0 3 3 2 39.10 2.304 8 1.3 2 4 2 47.23 1.924 8 0.586 0 0 27.90 3.198 2 0.21 5 3 0 39.30 2.292 4 0.49 2 0 5 47.32 1.921 4 0.544 2 0 27.91 3.197 4 3.7 2 1 4 39.37 2.289 8 0.08 4 4 1 47.36 1.919 8 0.294 1 2 28.03 3.183 8 0.38 6 0 3 39.42 2.286 4 0.22 10 0 0 47.38 1.919 2 0.101 2 2 28.03 3.183 8 0.60 4 2 3 39.43 2.285 8 0.71 9 1 2 47.71 1.906 8 0.492 0 3 28.86 3.093 4 13.7 6 2 2 39.68 2.272 8 0.14 1 1 5 47.82 1.902 8 1.12 2 2 29.19 3.059 8 4.2 5 3 1 40.41 2.232 8 2.4 6 1 4 47.95 1.897 8 0.136 0 1 29.38 3.040 4 13.7 6 1 3 40.86 2.209 8 0.42 8 1 3 48.25 1.886 8 0.224 2 1 29.39 3.039 8 3.4 4 3 2 41.11 2.196 8 0.21 7 2 3 48.25 1.886 8 0.081 1 3 29.62 3.016 8 1.8 4 0 4 41.37 2.183 4 0.97 10 0 1 48.33 1.883 4 1.12 1 3 30.72 2.910 8 0.77 8 0 2 41.93 2.154 4 2.1 2 1 5 48.56 1.875 8 0.113 2 2 31.04 2.881 8 0.23 5 2 3 41.98 2.152 8 0.11 5 4 0 48.65 1.872 4 0.096 1 1 31.21 2.865 8 0.27 0 4 0 42.15 2.144 2 5.2 0 3 4 48.95 1.861 4 0.145 1 2 31.39 2.850 8 1.7 1 3 3 42.27 2.138 8 0.79 1 3 4 49.20 1.852 8 0.323 1 3 32.49 2.756 8 1.7 1 4 0 42.42 2.131 4 0.39 10 1 1 49.56 1.839 8 0.081 3 1 32.97 2.717 8 0.19 0 2 4 42.48 2.128 4 1.2 8 3 0 49.61 1.837 4 0.084 0 3 33.17 2.701 4 4.0 4 1 4 42.75 2.115 8 0.08 7 3 2 49.69 1.835 8 0.066 0 2 33.46 2.678 4 5.0 1 2 4 42.75 2.115 8 0.08 3 1 5 49.79 1.831 8 0.124 2 2 33.46 2.678 8 3.4 8 2 0 43.22 2.093 4 0.30 2 3 4 49.93 1.827 8 0.07

APD

AlP

O–D

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

AST Quinuclidine AlPO–16

CHEMICAL COMPOSITION: |(C7H13N)4(H2O)16| [Al20P20O80]C7H13N = quinuclidine

REFINED COMPOSITION: |(C7H13N)4| [Al20P20O80]

CRYSTAL DATA: F23 (No. 196)a = 13.3832 A b = 13.3832 A c = 13.3832 Aα = 90◦ β = 90◦ γ = 90◦

X-ray Rietveld refinement, Rwp = 0.192, RF = 0.106

REFERENCE: J. M. Bennett and R. M. Kirchner,Zeolites 11 502–506 (1991).


1 1 1 11.45 7.727 8 61.9 4 2 2 32.78 2.732 24 5.0 6 0 2 42.73 2.116 12 0.182 0 0 13.23 6.692 6 0.27 3 3 3 34.83 2.576 8 0.29 5 3 3 44.39 2.041 24 4.62 2 0 18.75 4.732 12 52.0 5 1 1 34.83 2.576 24 5.1 6 2 2 44.93 2.018 24 0.613 1 1 22.03 4.035 24 100.0 4 4 0 38.03 2.366 12 10.3 4 4 4 47.04 1.932 8 0.152 2 2 23.02 3.863 8 9.2 5 3 1 39.85 2.262 24 2.1 5 5 1 48.58 1.874 24 3.74 0 0 26.64 3.346 6 24.4 5 1 3 39.85 2.262 24 0.09 7 1 1 48.58 1.874 24 4.83 3 1 29.08 3.070 24 8.4 6 0 0 40.44 2.231 6 0.46 6 4 0 49.09 1.856 12 0.074 2 0 29.86 2.993 12 9.2 4 4 2 40.44 2.231 24 0.26 6 0 4 49.09 1.856 12 1.14 0 2 29.86 2.993 12 18.6 6 2 0 42.73 2.116 12 0.17

AST

Quinuclidine

AlP

O–16

504030201002 theta (°)

70

60

50

40

30

20

10

0

AST Quinuclidinium fluoride octadecasil

CHEMICAL COMPOSITION: |(C7H14NF)2| [Si20O40]C7H14NF = quinuclidinium fluoride

REFINED COMPOSITION: |C6.18F0.07| [Si20O40]

CRYSTAL DATA: I 4/m (No. 87)a = 9.194 A b = 9.194 A c = 13.396 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: P. Caullet, J. L. Guth, J. Hazm, J. M. Lamblin and H. Gies,Eur. J. Solid State Inorg. Chem. 28 345–361 (1991).


1 0 1 11.67 7.580 8 100.0 1 3 0 30.75 2.907 4 8.5 3 1 4 41.11 2.195 8 0.010 0 2 13.22 6.698 2 2.9 2 0 4 33.09 2.707 8 1.8 1 3 4 41.11 2.195 8 0.701 1 0 13.62 6.501 4 5.1 1 3 2 33.60 2.667 8 0.15 4 0 2 41.54 2.174 8 0.401 1 2 19.02 4.665 8 12.0 3 1 2 33.60 2.667 8 2.6 3 3 0 41.68 2.167 4 0.012 0 0 19.31 4.597 4 2.7 1 0 5 34.88 2.572 8 1.8 3 3 2 43.91 2.062 8 0.121 0 3 22.13 4.017 8 14.9 3 0 3 35.53 2.527 8 0.55 2 4 0 44.05 2.056 4 1.72 1 1 22.62 3.931 8 3.6 2 3 1 35.85 2.505 8 0.44 4 2 0 44.05 2.056 4 0.031 2 1 22.62 3.931 8 35.4 3 2 1 35.85 2.505 8 1.2 3 0 5 44.94 2.017 8 0.592 0 2 23.47 3.790 8 4.3 2 2 4 38.60 2.333 8 6.6 2 0 6 45.14 2.008 8 0.160 0 4 26.62 3.349 2 7.5 4 0 0 39.19 2.299 4 0.53 4 1 3 45.46 1.995 8 0.022 2 0 27.44 3.251 4 8.2 2 1 5 40.17 2.245 8 0.73 1 4 3 45.46 1.995 8 0.832 1 3 29.53 3.025 8 0.32 0 0 6 40.40 2.233 2 0.30 2 4 2 46.19 1.965 8 0.361 2 3 29.53 3.025 8 5.0 3 2 3 40.75 2.214 8 1.8 4 0 4 48.01 1.895 8 0.013 0 1 29.91 2.987 8 0.41 2 3 3 40.75 2.214 8 0.66 1 0 7 48.59 1.874 8 1.21 1 4 30.01 2.977 8 6.3 1 4 1 41.03 2.200 8 0.31 2 3 5 49.34 1.847 8 4.62 2 2 30.57 2.924 8 5.5 4 1 1 41.03 2.200 8 2.4 2 2 6 49.53 1.840 8 0.03

AST

Quinuclidinium

fluoride

octadecasil

504030201002 theta (°)

40

35

30

25

20

15

10

5

0

ASV ASU-7

CHEMICAL COMPOSITION: |((CH3)2NH)2(H2O)2| [Ge20O40](CH3)2NH = dimethylamine

REFINED COMPOSITION: |(C4N2)(H2O)2| [Ge20O40]

CRYSTAL DATA: P 4/m cc (No. 124)a = 8.7795 A b = 8.7795 A c = 14.4696 Aα = 90◦ β = 90◦ γ = 90◦

X-ray single crystal refinement, RF = 0.025, wRF2 = 0.053; at -75 C.

REFERENCE: H. Li and O. M. Yaghi,J. Am. Chem. Soc. 120 10569–10570 (1998).


1 0 0 10.07 8.780 4 100.0 3 1 0 32.24 2.776 8 1.1 4 1 0 42.45 2.129 8 3.50 0 2 12.23 7.235 2 1.6 3 1 1 32.85 2.727 16 18.7 2 0 6 42.78 2.114 8 0.171 1 0 14.27 6.208 4 7.7 3 0 2 33.02 2.713 8 0.57 4 1 1 42.93 2.107 16 3.91 0 2 15.87 5.583 8 6.5 2 1 4 33.69 2.660 16 12.4 4 0 2 43.07 2.100 8 0.041 1 2 18.84 4.711 8 12.4 3 1 2 34.60 2.592 16 3.8 3 3 0 43.74 2.069 4 0.472 0 0 20.23 4.390 4 0.27 3 2 0 36.91 2.435 8 0.16 2 1 6 44.07 2.055 16 1.82 1 0 22.65 3.926 8 26.5 0 0 6 37.29 2.412 2 1.2 4 1 2 44.34 2.043 16 0.472 1 1 23.48 3.789 16 25.8 3 1 3 37.37 2.406 16 1.3 3 2 4 44.87 2.020 16 0.472 0 2 23.71 3.753 8 9.6 3 2 1 37.45 2.401 16 1.8 3 1 5 45.26 2.003 16 10.70 0 4 24.61 3.617 2 10.9 2 2 4 38.20 2.356 8 15.0 3 3 2 45.59 1.990 8 1.02 1 2 25.82 3.451 16 0.86 2 1 5 38.65 2.330 16 1.3 4 2 0 46.24 1.963 8 8.11 0 4 26.65 3.345 8 14.0 1 0 6 38.72 2.325 8 0.70 4 1 3 46.63 1.948 16 1.11 1 4 28.56 3.126 8 5.0 3 2 2 39.03 2.308 16 0.18 2 2 6 47.76 1.904 8 0.062 2 0 28.76 3.104 4 2.3 3 0 4 39.61 2.275 8 0.52 4 2 2 48.02 1.895 16 0.312 1 3 29.33 3.045 16 4.1 1 1 6 40.11 2.248 8 0.48 3 2 5 48.88 1.863 16 6.13 0 0 30.55 2.926 4 0.35 3 1 4 40.98 2.202 16 0.43 4 1 4 49.68 1.835 16 2.82 2 2 31.36 2.853 8 5.4 4 0 0 41.12 2.195 4 1.1 2 1 7 49.85 1.829 16 0.022 0 4 32.06 2.792 8 9.4 3 2 3 41.54 2.174 16 0.04

ASV

ASU

-7

504030201002 theta (°)

30

25

20

15

10

5

0

ATN MAPO–39

CHEMICAL COMPOSITION: |((C3H7)2NH)x | [Al7MgP8O32](C3H7)2NH = di-n-propylamine

REFINED COMPOSITION: |C13.16O0.168| [Al7.512P7.504O32]


X-ray single crystal refinement, Rw = 0.02, RF = 0.093

REFERENCE: W. H. Baur, W. Joswig, D. Kassner, A. Bieniok, G. Fingerand J. Kornatowski, Z. Kristallogr. 214 154–159 (1999).


1 1 0 9.47 9.340 4 39.6 0 0 2 33.98 2.639 2 16.5 6 2 0 43.32 2.088 4 1.12 0 0 13.41 6.604 4 75.6 1 5 0 34.63 2.590 4 0.07 4 0 2 43.92 2.061 8 2.61 0 1 18.10 4.900 8 69.0 5 1 0 34.63 2.590 4 0.76 3 3 2 45.04 2.013 8 1.02 2 0 19.00 4.670 4 0.32 1 1 2 35.35 2.539 8 0.03 6 1 1 45.15 2.008 8 0.121 3 0 21.27 4.177 4 20.8 2 0 2 36.68 2.450 8 4.4 4 2 2 46.13 1.968 8 3.13 1 0 21.27 4.177 4 72.5 3 4 1 38.09 2.362 8 1.7 2 4 2 46.13 1.968 8 1.62 1 1 22.59 3.935 8 42.3 4 3 1 38.09 2.362 8 4.3 4 5 1 47.31 1.921 8 0.931 2 1 22.59 3.935 8 100.0 5 0 1 38.09 2.362 8 9.7 5 4 1 47.31 1.921 8 1.33 0 1 26.36 3.381 8 1.1 4 4 0 38.56 2.335 4 0.27 1 7 0 48.75 1.868 4 0.154 0 0 27.00 3.302 4 5.3 2 2 2 39.22 2.297 8 1.4 5 5 0 48.75 1.868 4 4.63 3 0 28.67 3.113 4 11.9 3 5 0 39.79 2.265 4 0.44 7 1 0 48.75 1.868 4 0.082 3 1 29.69 3.009 8 6.4 5 3 0 39.79 2.265 4 0.59 5 1 2 49.30 1.848 8 0.803 2 1 29.69 3.009 8 14.6 1 3 2 40.43 2.231 8 0.65 1 5 2 49.30 1.848 8 0.414 2 0 30.26 2.954 4 15.7 3 1 2 40.43 2.231 8 0.03 6 3 1 49.40 1.845 8 1.12 4 0 30.26 2.954 4 23.9 2 5 1 40.56 2.224 8 0.15 3 6 1 49.40 1.845 8 1.21 4 1 32.70 2.738 8 9.1 6 0 0 41.00 2.201 4 3.1 6 4 0 49.78 1.832 4 0.254 1 1 32.70 2.738 8 10.5 2 6 0 43.32 2.088 4 1.5 4 6 0 49.78 1.832 4 0.33

AT

NM

APO

–39

504030201002 theta (°)

70

60

50

40

30

20

10

0

ATO Di-n-propylamine SAPO–31

CHEMICAL COMPOSITION: |((C3H7)2NH)2| [Al18P17SiO72](C3H7)2NH = di-n-propylamine

REFINED COMPOSITION: |C14.76| [Al17.71P16.67O72]

CRYSTAL DATA: R3 (No. 148; hexagonal setting)a = 20.839 A b = 20.839 A c = 5.041 Aα = 90◦ β = 90◦ γ = 120◦

X-ray single crystal refinement, RwF = 0.018, RF = 0.051

REFERENCE: W. H. Baur, W. Joswig, D. Kassner and J. Kornatowski,Acta Cryst. B50 290–294 (1994).


1 1 0 8.49 10.419 6 100.0 7 -3 1 35.09 2.557 6 11.6 0 8 1 43.97 2.059 6 0.890 3 0 14.73 6.016 6 2.8 0 1 2 35.98 2.496 6 5.8 4 2 2 44.71 2.027 6 1.12 2 0 17.02 5.210 6 7.2 2 0 2 37.03 2.428 6 4.5 6 -2 2 44.71 2.027 6 0.521 0 1 18.27 4.855 6 5.0 7 -6 1 37.22 2.416 6 0.78 2 7 1 44.87 2.020 6 1.00 2 1 20.18 4.401 6 91.6 1 7 0 37.63 2.390 6 2.0 9 -7 1 44.87 2.020 6 0.262 1 1 21.92 4.054 6 8.8 7 1 0 37.63 2.390 6 0.71 0 9 0 45.22 2.005 6 3.03 -1 1 21.92 4.054 6 46.8 3 -2 2 38.06 2.364 6 2.9 6 -5 2 45.59 1.990 6 0.064 1 0 22.58 3.938 6 99.9 1 2 2 38.06 2.364 6 2.4 1 5 2 45.59 1.990 6 0.391 4 0 22.58 3.938 6 53.5 8 -5 1 39.25 2.295 6 2.6 2 8 0 46.10 1.969 6 0.804 -3 1 25.07 3.552 6 7.7 3 5 1 39.25 2.295 6 0.32 8 2 0 46.10 1.969 6 0.971 3 1 25.07 3.552 6 0.39 7 0 1 39.25 2.295 6 3.3 9 -1 1 46.62 1.948 6 0.163 3 0 25.65 3.473 6 5.2 6 3 0 39.64 2.274 6 1.0 8 1 1 46.62 1.948 6 6.54 0 1 26.51 3.362 6 0.02 3 6 0 39.64 2.274 6 2.0 7 -4 2 47.32 1.921 6 0.105 -2 1 27.88 3.199 6 1.9 3 1 2 40.05 2.251 6 3.8 3 4 2 47.32 1.921 6 2.33 2 1 27.88 3.199 6 21.1 4 -1 2 40.05 2.251 6 0.64 4 6 1 47.48 1.915 6 1.80 6 0 29.70 3.008 6 9.7 8 -2 1 40.23 2.242 6 0.02 10 -6 1 47.48 1.915 6 0.120 5 1 30.46 2.935 6 0.03 6 2 1 40.23 2.242 6 1.4 7 3 1 48.32 1.883 6 0.185 2 0 30.94 2.890 6 0.96 0 4 2 41.02 2.200 6 0.08 10 -3 1 48.32 1.883 6 1.42 4 1 31.67 2.825 6 32.5 2 3 2 41.96 2.153 6 0.42 4 7 0 48.65 1.871 6 2.66 -4 1 31.67 2.825 6 5.7 5 -3 2 41.96 2.153 6 0.20 7 4 0 48.65 1.871 6 1.56 -1 1 32.85 2.726 6 0.28 5 4 1 43.06 2.101 6 0.40 7 -1 2 49.01 1.859 6 2.55 1 1 32.85 2.726 6 0.10 9 -4 1 43.06 2.101 6 0.79 6 1 2 49.01 1.859 6 0.164 4 0 34.43 2.605 6 0.39 5 5 0 43.42 2.084 6 0.604 3 1 35.09 2.557 6 5.4 5 0 2 43.81 2.067 6 1.9

AT

OD

i-n-propylamine

SAPO

–31

504030201002 theta (°)

70

60

50

40

30

20

10

0

ATS MAPO–36, Calcined

CHEMICAL COMPOSITION: [(Al10.8Mg)P12.2O48]




REFERENCE: J. V. Smith, J. J. Pluth and K. J. Andries,Zeolites 13 166–169 (1993).


1 1 0 7.88 11.224 4 100.0 4 2 1 33.84 2.648 4 0.08 1 5 2 41.53 2.174 4 0.250 2 0 8.20 10.789 2 25.3 5 1 0 34.37 2.609 4 0.01 -3 3 2 41.98 2.152 4 0.022 0 0 13.48 6.571 2 4.9 -1 7 1 34.46 2.603 4 1.1 6 2 0 42.10 2.146 4 0.061 3 0 14.04 6.309 4 0.25 1 7 1 34.69 2.586 4 3.6 1 9 1 42.22 2.141 4 0.132 2 0 15.79 5.612 4 1.3 0 0 2 34.76 2.581 2 3.6 3 9 0 43.01 2.103 4 0.070 4 0 16.43 5.394 2 12.2 -1 1 2 35.48 2.530 4 0.60 3 3 2 43.13 2.098 4 0.24

-1 1 1 18.72 4.739 4 0.65 0 2 2 35.78 2.510 4 0.51 0 6 2 43.15 2.097 4 0.410 2 1 19.06 4.656 4 19.8 1 1 2 35.92 2.500 4 0.16 4 8 0 43.41 2.085 4 0.021 1 1 19.12 4.641 4 0.97 2 8 0 35.99 2.495 4 0.41 -5 5 1 43.52 2.079 4 0.383 1 0 20.69 4.293 4 10.7 -4 4 1 36.01 2.494 4 0.97 -4 0 2 43.91 2.062 2 0.012 4 0 21.31 4.169 4 2.2 5 3 0 36.39 2.469 4 0.19 2 10 0 44.18 2.050 4 0.731 5 0 21.67 4.100 4 3.7 4 4 1 36.88 2.437 4 0.09 -2 6 2 45.04 2.013 4 0.10

-1 3 1 22.08 4.025 4 8.8 4 6 0 37.06 2.426 4 0.02 -6 2 1 45.24 2.004 4 0.341 3 1 22.42 3.965 4 9.8 -1 3 2 37.45 2.402 4 0.01 5 7 0 45.34 2.000 4 0.42

-2 2 1 23.09 3.852 4 2.2 0 8 1 37.63 2.390 4 0.42 -3 5 2 45.37 1.999 4 0.552 2 1 23.74 3.748 4 1.7 2 0 2 37.86 2.376 2 0.28 0 10 1 45.57 1.991 4 0.063 3 0 23.78 3.741 4 1.1 1 3 2 37.87 2.376 4 0.32 2 6 2 45.77 1.983 4 0.220 6 0 24.76 3.596 2 0.17 -2 2 2 37.97 2.369 4 0.08 -1 7 2 46.23 1.964 4 0.144 0 0 27.14 3.285 2 6.2 -5 1 1 38.15 2.359 4 0.49 6 2 1 46.32 1.960 4 0.39

-2 4 1 27.22 3.276 4 2.2 1 9 0 38.16 2.359 4 0.04 -3 9 1 46.37 1.958 4 0.013 1 1 27.44 3.251 4 0.72 0 4 2 38.68 2.328 4 0.06 3 5 2 46.45 1.955 4 0.05

-1 5 1 27.65 3.226 4 0.24 2 2 2 38.81 2.321 4 0.28 1 7 2 46.58 1.950 4 0.042 4 1 27.78 3.211 4 0.73 5 1 1 39.18 2.299 4 0.32 -4 8 1 46.66 1.947 4 0.261 5 1 27.93 3.195 4 0.59 -3 7 1 39.49 2.282 4 0.19 1 11 0 46.83 1.940 4 0.022 6 0 28.29 3.155 4 1.8 -2 8 1 39.94 2.257 4 0.04 -4 4 2 47.19 1.926 4 0.034 2 0 28.40 3.143 4 0.26 3 7 1 40.10 2.249 4 0.09 4 8 1 47.36 1.919 4 0.343 5 0 29.05 3.074 4 2.3 5 5 0 40.17 2.245 4 0.96 -2 10 1 47.56 1.912 4 0.85

-3 3 1 29.09 3.069 4 2.4 2 8 1 40.34 2.236 4 0.18 -6 4 1 47.66 1.908 4 0.121 7 0 29.77 3.001 4 0.19 -2 4 2 40.74 2.215 4 0.36 -5 7 1 48.41 1.880 4 0.103 3 1 29.88 2.990 4 0.64 5 3 1 41.00 2.201 4 0.02 4 4 2 48.58 1.874 4 0.060 6 1 30.29 2.951 4 2.8 -1 5 2 41.14 2.194 4 0.11 6 6 0 48.67 1.871 4 0.354 4 0 31.89 2.806 4 3.4 6 0 0 41.22 2.190 2 0.95 7 1 0 48.68 1.870 4 0.35

-2 6 1 33.05 2.710 4 0.21 3 1 2 41.39 2.182 4 0.12 6 4 1 48.70 1.870 4 0.170 8 0 33.22 2.697 2 0.27 4 6 1 41.51 2.175 4 0.19 0 8 2 48.84 1.865 4 0.11

-3 5 1 33.59 2.668 4 0.59 2 4 2 41.53 2.175 4 0.57 5 7 1 49.26 1.850 4 0.55

AT

SM

APO

–36,Calcined

504030201002 theta (°)

30

25

20

15

10

5

0

ATT Tetramethylammonium hydroxide AlPO–12-TAMU

CHEMICAL COMPOSITION: |((CH3)4NOH)4| [Al12P12O48](CH3)4NOH = tetramethylammonium hydroxide

REFINED COMPOSITION: |(C4NO)4| [Al12P12O48]



REFERENCE: P. R. Rudolf, C. Saldarriaga-Molina and A. Clearfield,J. Phys. Chem. 90 6122–6125 (1986).


0 0 1 9.30 9.511 2 24.3 1 4 2 32.05 2.793 8 11.1 2 1 4 42.29 2.137 8 0.971 1 0 10.48 8.442 4 0.33 3 0 2 32.09 2.789 4 1.4 1 6 2 42.55 2.125 8 0.130 1 1 11.09 7.976 4 0.52 3 1 2 32.68 2.740 8 0.13 4 4 0 42.85 2.110 4 0.150 2 0 12.09 7.320 2 0.89 1 5 1 33.16 2.701 8 0.29 1 5 3 42.95 2.106 8 0.301 0 1 12.65 6.998 4 100.0 3 3 1 33.20 2.698 8 1.2 3 3 3 42.98 2.105 8 0.281 1 1 14.03 6.314 8 0.91 0 3 3 33.71 2.659 4 0.50 1 3 4 43.22 2.093 8 0.171 2 0 14.83 5.973 4 0.43 3 2 2 34.40 2.607 8 9.2 2 2 4 43.69 2.072 8 0.520 2 1 15.27 5.801 4 26.6 4 0 0 34.73 2.583 2 0.88 4 3 2 43.99 2.058 8 0.752 0 0 17.16 5.166 2 7.8 2 2 3 35.41 2.535 8 0.84 1 7 0 44.18 2.050 4 0.161 2 1 17.53 5.058 8 21.7 2 4 2 35.49 2.529 8 1.0 5 1 0 44.26 2.046 4 0.250 0 2 18.66 4.756 2 0.46 4 0 1 36.03 2.493 4 0.31 0 7 1 44.34 2.043 4 0.212 0 1 19.55 4.540 4 2.7 2 5 1 36.52 2.461 8 1.2 3 5 2 44.88 2.020 8 0.090 1 2 19.63 4.523 4 0.53 4 1 1 36.56 2.457 8 0.16 5 0 1 44.88 2.019 4 0.491 3 0 20.12 4.413 4 1.3 0 6 0 36.83 2.440 2 1.1 1 7 1 45.25 2.004 8 0.460 3 1 20.45 4.342 4 2.8 3 4 1 37.07 2.425 8 0.95 4 0 3 45.28 2.003 4 0.662 1 1 20.48 4.336 8 0.68 1 5 2 37.09 2.424 8 1.3 2 6 2 45.31 2.001 8 0.311 0 2 20.56 4.320 4 19.7 3 3 2 37.12 2.422 8 0.10 5 1 1 45.33 2.000 8 0.652 2 0 21.05 4.221 4 5.8 0 0 4 37.84 2.378 2 1.8 4 1 3 45.73 1.984 8 0.101 1 2 21.45 4.143 8 1.3 2 3 3 38.06 2.364 8 0.20 2 3 4 45.95 1.975 8 0.071 3 1 22.21 4.003 8 4.3 4 2 1 38.14 2.360 8 0.60 3 4 3 46.15 1.967 8 0.090 2 2 22.29 3.988 4 0.28 0 1 4 38.35 2.347 4 0.37 1 4 4 46.38 1.958 8 0.182 2 1 23.05 3.858 8 6.9 1 4 3 38.57 2.334 8 0.34 3 0 4 46.40 1.957 4 0.231 2 2 23.92 3.720 8 30.9 3 0 3 38.60 2.333 4 0.11 3 6 1 46.60 1.949 8 0.600 4 0 24.32 3.660 2 1.0 1 0 4 38.86 2.317 4 0.51 5 2 1 46.66 1.947 8 0.342 3 0 25.10 3.548 4 1.3 1 6 1 39.09 2.304 8 0.91 3 1 4 46.84 1.940 8 0.182 0 2 25.46 3.499 4 0.18 3 1 3 39.10 2.304 8 0.77 4 2 3 47.04 1.932 8 2.10 4 1 26.09 3.416 4 44.4 1 1 4 39.37 2.289 8 0.29 4 4 2 47.11 1.929 8 0.100 3 2 26.16 3.406 4 0.10 4 3 0 39.47 2.283 4 0.06 0 7 2 47.49 1.915 4 0.852 1 2 26.19 3.403 8 0.52 4 0 2 39.71 2.270 4 1.7 5 3 0 47.80 1.903 4 0.312 3 1 26.82 3.324 8 1.4 0 2 4 39.86 2.261 4 0.06 0 0 5 47.81 1.902 2 0.941 4 1 27.50 3.243 8 5.3 2 5 2 40.16 2.246 8 0.67 1 6 3 47.86 1.901 8 1.93 0 1 27.54 3.238 4 51.5 4 1 2 40.20 2.243 8 0.57 2 7 1 47.89 1.900 8 0.191 3 2 27.58 3.235 8 0.45 3 5 0 40.43 2.231 4 0.35 5 0 2 48.00 1.895 4 0.060 0 3 28.15 3.170 2 0.36 3 2 3 40.59 2.222 8 0.71 3 2 4 48.13 1.890 8 0.602 2 2 28.27 3.157 8 0.53 4 3 1 40.64 2.220 8 0.30 1 7 2 48.35 1.882 8 0.100 1 3 28.81 3.099 4 0.12 3 4 2 40.67 2.219 8 3.1 5 1 2 48.43 1.880 8 0.431 0 3 29.47 3.031 4 9.7 1 2 4 40.85 2.209 8 0.15 1 0 5 48.67 1.871 4 0.342 4 0 29.92 2.987 4 1.6 2 4 3 41.54 2.174 8 0.50 2 4 4 48.96 1.860 8 0.191 1 3 30.11 2.968 8 0.17 3 5 1 41.58 2.172 8 0.11 1 1 5 49.09 1.856 8 0.110 2 3 30.73 2.909 4 7.6 0 6 2 41.60 2.171 4 0.20 0 5 4 49.37 1.846 4 0.180 4 2 30.83 2.901 4 0.22 4 2 2 41.66 2.168 8 2.4 0 2 5 49.51 1.841 4 0.122 4 1 31.39 2.849 8 0.98 2 0 4 41.82 2.160 4 0.27 3 6 2 49.64 1.837 8 0.182 3 2 31.46 2.844 8 1.0 0 5 3 42.00 2.151 4 1.3 5 2 2 49.69 1.835 8 0.151 5 0 31.76 2.817 4 0.50 2 6 1 42.04 2.149 8 0.13 0 8 0 49.83 1.830 2 2.31 2 3 31.96 2.800 8 0.45 0 3 4 42.28 2.138 4 0.29 3 5 3 49.99 1.824 8 0.18

AT

TTetram

ethylamm

oniumhydroxide

AlP

O–12-T

AM

U

504030201002 theta (°)

60

50

40

30

20

10

0

ATV AlPO–25



CRYSTAL DATA: Acmm (No. 67; cba setting)a = 9.4489 A b = 15.2028 A c = 8.4084 Aα = 90◦ β = 90◦ γ = 90◦

Neutron Rietveld refinement, Rwp = 0.041, RF2 = 0.133; At T = 593 K.

REFERENCE: J. W. Richardson, Jr., J. V. Smith and J. J. Pluth,J. Phys. Chem. 94 3365–3367 (1990).


1 0 0 9.36 9.449 2 48.0 1 5 1 32.72 2.737 8 1.2 3 1 3 43.64 2.074 8 0.330 2 0 11.64 7.601 2 12.6 1 4 2 33.16 2.702 8 11.3 4 0 2 43.97 2.059 4 0.311 2 0 14.96 5.923 4 95.2 1 1 3 33.88 2.646 8 0.20 1 7 1 44.12 2.053 8 0.331 1 1 15.26 5.805 8 0.33 3 3 1 35.21 2.549 8 1.3 1 0 4 44.13 2.052 4 0.682 0 0 18.78 4.724 2 29.7 0 6 0 35.43 2.534 2 4.9 1 5 3 45.02 2.013 8 1.00 0 2 21.13 4.204 2 100.0 3 0 2 35.62 2.521 4 0.03 4 4 0 45.19 2.006 4 0.032 2 0 22.15 4.013 4 0.51 2 5 1 36.74 2.446 8 2.2 4 2 2 45.64 1.988 8 0.772 1 1 22.36 3.976 8 33.4 3 4 0 37.07 2.425 4 4.4 1 2 4 45.80 1.981 8 1.41 3 1 22.54 3.944 8 44.0 2 4 2 37.13 2.421 8 0.47 3 6 0 45.97 1.974 4 1.11 0 2 23.16 3.841 4 6.7 3 2 2 37.59 2.393 8 6.8 2 6 2 46.02 1.972 8 3.00 4 0 23.41 3.801 2 5.3 2 1 3 37.79 2.381 8 6.9 3 3 3 46.95 1.935 8 0.680 2 2 24.19 3.679 4 1.1 1 3 3 37.90 2.374 8 8.3 2 7 1 47.32 1.921 8 4.41 4 0 25.26 3.526 4 47.2 4 0 0 38.09 2.362 2 0.74 2 0 4 47.33 1.921 4 0.891 2 2 25.99 3.428 8 11.4 4 2 0 39.97 2.256 4 0.13 0 8 0 47.87 1.900 2 3.62 3 1 27.91 3.196 8 1.9 4 1 1 40.09 2.249 8 1.4 5 0 0 48.15 1.890 2 0.033 0 0 28.34 3.150 2 3.0 2 6 0 40.39 2.233 4 0.78 2 5 3 48.17 1.889 8 1.12 0 2 28.42 3.141 4 7.0 2 3 3 41.48 2.177 8 0.37 2 2 4 48.91 1.862 8 0.342 4 0 30.18 2.961 4 0.18 3 5 1 42.71 2.117 8 0.19 0 4 4 49.55 1.839 4 0.733 2 0 30.73 2.910 4 21.5 0 0 4 43.03 2.102 2 9.0 5 2 0 49.71 1.834 4 0.913 1 1 30.88 2.896 8 0.31 3 4 2 43.06 2.101 8 0.06 5 1 1 49.82 1.830 8 0.020 4 2 31.74 2.819 4 1.8 4 3 1 43.62 2.075 8 0.75

AT

VAlP

O–25

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

AWO AlPO–21

CHEMICAL COMPOSITION: |(C7H21N2)1.33| [Al12P12O48]C7H21N2 = N, N, N ′, N ′-tetramethyl-1,3-propanediamine

REFINED COMPOSITION: |N2.84C13.41O4H4| [Al12P12O48]

CRYSTAL DATA: P1 21/a 1 (No. 14; unique axis b, cell choice 3)a = 10.3307 A b = 17.5241 A c = 8.6757 Aα = 90.0◦ β = 123.369◦ γ = 90.0◦


REFERENCE: J. M. Bennett, J. M. Cohen, G. Artioli, J. J. Pluth and J. V. Smith,Inorg. Chem. 24 188–193 (1985).


0 2 0 10.10 8.762 2 100.0 0 4 2 32.06 2.792 4 2.2 2 7 0 41.71 2.165 4 0.631 1 0 11.43 7.740 4 25.7 1 6 0 32.36 2.766 4 3.1 2 2 2 41.72 2.165 4 0.73

-1 1 1 11.92 7.424 4 33.2 1 5 1 32.47 2.758 4 3.9 4 0 0 41.88 2.157 2 0.620 0 1 12.22 7.245 2 53.3 -1 6 1 32.54 2.751 4 3.2 -3 5 3 41.93 2.155 4 0.900 1 1 13.22 6.696 4 9.4 -2 2 3 32.61 2.746 4 11.5 -3 1 4 42.17 2.143 4 0.771 2 0 14.41 6.148 4 56.0 3 2 0 32.77 2.732 4 0.59 -2 7 2 42.30 2.136 4 0.89

-1 2 1 14.80 5.986 4 64.2 2 5 0 32.93 2.720 4 18.5 -1 8 1 42.73 2.116 4 1.10 2 1 15.87 5.584 4 46.5 -1 1 3 32.95 2.718 4 1.5 0 4 3 42.75 2.115 4 1.5

-2 0 1 17.19 5.158 2 18.4 -1 5 2 33.01 2.713 4 1.6 4 2 0 43.19 2.094 4 2.1-2 1 1 17.93 4.948 4 1.7 0 6 1 33.07 2.709 4 18.0 -2 2 4 43.47 2.082 4 5.31 3 0 18.34 4.837 4 3.1 1 2 2 33.26 2.693 4 9.3 -2 6 3 44.07 2.055 4 1.1

-1 3 1 18.65 4.757 4 7.4 -3 4 1 33.44 2.680 4 26.8 3 6 0 44.20 2.049 4 1.40 3 1 19.52 4.548 4 1.9 -2 5 2 33.65 2.664 4 0.95 -5 1 2 44.31 2.044 4 0.95

-2 2 1 19.98 4.445 4 11.8 -1 2 3 34.15 2.625 4 5.6 1 1 3 44.47 2.037 4 1.00 4 0 20.27 4.381 2 3.2 -3 2 3 34.38 2.608 4 4.8 -4 1 4 44.52 2.035 4 0.771 1 1 20.51 4.330 4 31.3 -2 3 3 34.61 2.592 4 0.58 1 6 2 44.58 2.033 4 1.9

-1 1 2 21.34 4.163 4 28.9 -4 0 2 34.79 2.579 2 15.3 4 3 0 44.79 2.023 4 0.96-2 0 2 21.68 4.098 2 10.4 -4 1 2 35.17 2.551 4 0.87 3 4 1 44.85 2.021 4 3.5-2 1 2 22.28 3.991 4 1.6 1 3 2 35.23 2.547 4 1.5 -5 1 3 45.02 2.014 4 0.581 2 1 22.33 3.981 4 0.82 -1 3 3 36.08 2.489 4 1.2 -3 7 1 45.03 2.013 4 0.871 4 0 22.76 3.906 4 29.1 -3 3 3 36.30 2.475 4 1.3 -2 3 4 45.06 2.012 4 0.772 2 0 22.98 3.870 4 18.2 -4 2 2 36.31 2.474 4 3.2 -5 2 2 45.26 2.004 4 1.7

-2 3 1 23.00 3.866 4 37.8 -4 0 1 36.34 2.472 2 0.62 -1 6 3 45.28 2.003 4 1.2-1 4 1 23.02 3.864 4 69.3 -3 5 1 36.90 2.436 4 3.3 1 2 3 45.41 1.997 4 2.7-1 2 2 23.10 3.850 4 1.4 -1 6 2 37.25 2.414 4 0.65 -4 2 4 45.46 1.995 4 2.10 4 1 23.73 3.749 4 21.4 -3 5 2 37.40 2.405 4 0.56 -3 6 3 45.46 1.995 4 1.30 0 2 24.57 3.623 2 19.5 1 7 0 37.40 2.404 4 12.2 -5 2 3 45.95 1.975 4 0.571 3 1 25.09 3.549 4 3.9 3 4 0 37.40 2.404 4 2.5 -4 5 3 45.97 1.974 4 3.10 1 2 25.10 3.548 4 51.7 -1 7 1 37.57 2.394 4 1.3 1 8 1 46.15 1.967 4 2.00 2 2 26.63 3.348 4 77.9 0 1 3 37.59 2.393 4 2.0 -1 2 4 46.37 1.958 4 2.6

-2 4 1 26.70 3.339 4 2.8 -4 0 3 37.65 2.389 2 1.7 -1 8 2 46.56 1.951 4 0.64-3 1 1 26.81 3.326 4 20.5 1 4 2 37.84 2.377 4 3.0 -4 3 4 46.99 1.934 4 3.6-3 1 2 27.46 3.248 4 17.2 -4 3 2 38.15 2.359 4 2.6 -4 6 2 47.00 1.933 4 0.94-1 5 1 27.68 3.223 4 15.2 -1 4 3 38.64 2.330 4 1.1 -2 8 2 47.04 1.932 4 4.4-3 2 1 28.25 3.159 4 39.2 2 5 1 39.20 2.298 4 0.91 -5 1 1 47.24 1.924 4 0.640 5 1 28.29 3.155 4 8.0 -4 3 1 39.58 2.277 4 1.3 -5 3 3 47.47 1.915 4 2.0

-3 2 2 28.87 3.093 4 17.2 0 6 2 39.64 2.274 4 2.1 3 5 1 47.61 1.910 4 1.60 3 2 29.00 3.079 4 0.63 3 1 1 39.91 2.259 4 1.8 -1 3 4 47.89 1.900 4 1.7

-1 4 2 29.15 3.064 4 8.5 0 3 3 40.41 2.232 4 4.4 1 9 0 47.89 1.899 4 4.92 0 1 29.35 3.043 2 0.82 -2 5 3 40.44 2.231 4 3.4 -4 6 1 48.23 1.887 4 2.5

-3 3 1 30.51 2.930 4 2.1 -3 6 1 40.79 2.212 4 1.3 2 5 2 48.31 1.884 4 2.5-2 5 1 30.84 2.899 4 0.75 -4 3 3 40.81 2.211 4 3.4 -5 4 2 48.89 1.863 4 1.3-3 3 2 31.09 2.877 4 5.4 3 2 1 40.94 2.204 4 0.88 -1 7 3 49.20 1.852 4 1.13 1 0 31.52 2.838 4 8.4 1 5 2 40.99 2.202 4 0.77 -4 6 3 49.28 1.849 4 1.01 1 2 32.03 2.794 4 9.5 1 7 1 41.34 2.184 4 3.1 -2 5 4 49.88 1.828 4 0.86

AW

OAlP

O–21

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

AWW Quinuclidine AlPO–22

CHEMICAL COMPOSITION: |(C7H13N)4(PO3OH)2| [Al24P24O96]C7H13N = quinuclidine

REFINED COMPOSITION: |P2O8.48(C7N)4| [Al24P24O96]

CRYSTAL DATA: P 4/n cc (No. 130; origin at centre 1)a = 13.628 A b = 13.628 A c = 15.463 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: J. W. Richardson, Jr., J. J. Pluth and J. V. Smith,Naturwiss. 76 467–469 (1989).And J. J. Pluth, Private communication (1990).


1 1 0 9.18 9.636 4 92.8 5 1 0 33.53 2.673 8 0.42 5 3 3 42.47 2.129 16 0.020 0 2 11.44 7.732 2 2.8 5 1 1 34.04 2.634 16 1.2 5 2 4 42.70 2.117 16 0.352 0 0 12.99 6.814 4 6.3 4 2 3 34.18 2.623 16 0.10 2 1 7 43.58 2.077 16 0.051 0 2 13.17 6.725 8 21.1 0 0 6 34.81 2.577 2 9.7 6 2 2 43.60 2.076 16 0.491 1 2 14.69 6.030 8 3.6 4 3 2 34.90 2.571 16 4.4 6 1 3 44.07 2.055 16 0.232 1 1 15.63 5.670 16 0.20 5 0 2 34.90 2.571 8 8.3 5 4 2 44.13 2.052 16 1.12 0 2 17.35 5.112 8 31.3 4 0 4 35.11 2.556 8 3.2 4 4 4 44.30 2.045 8 4.12 2 0 18.41 4.818 4 1.6 1 0 6 35.45 2.532 8 0.44 4 1 6 44.58 2.032 16 1.12 1 2 18.54 4.786 16 100.0 5 1 2 35.54 2.526 16 6.3 5 1 5 44.82 2.022 16 0.423 1 0 20.61 4.310 8 63.9 3 1 5 35.73 2.513 16 0.32 3 3 6 45.10 2.010 8 4.63 1 1 21.40 4.151 16 1.9 4 1 4 35.74 2.512 16 0.69 5 3 4 45.34 2.000 16 0.262 2 2 21.73 4.089 8 2.8 5 2 1 35.96 2.497 16 0.17 4 2 6 46.13 1.968 16 0.262 1 3 22.59 3.936 16 3.1 1 1 6 36.08 2.490 8 0.59 6 3 2 46.20 1.965 16 1.93 0 2 22.70 3.917 8 5.0 3 3 4 36.36 2.471 8 0.02 5 2 5 46.36 1.959 16 0.060 0 4 23.01 3.866 2 3.2 2 0 6 37.30 2.411 8 0.03 6 0 4 46.36 1.958 8 0.323 1 2 23.63 3.764 16 16.5 4 3 3 37.32 2.409 16 0.02 6 1 4 46.87 1.938 16 1.61 0 4 23.93 3.719 8 18.0 4 4 0 37.33 2.409 4 0.03 0 0 8 47.01 1.933 2 1.33 2 1 24.24 3.672 16 3.0 5 2 2 37.39 2.405 16 1.5 7 1 0 47.16 1.927 8 0.091 1 4 24.82 3.588 8 10.7 3 2 5 37.58 2.394 16 0.47 5 5 0 47.16 1.927 4 1.04 0 0 26.16 3.407 4 9.5 4 2 4 37.58 2.393 16 1.6 1 0 8 47.51 1.914 8 0.123 2 2 26.24 3.396 16 6.4 2 1 6 37.90 2.374 16 1.1 7 1 1 47.54 1.912 16 0.122 0 4 26.51 3.362 8 9.1 5 3 1 38.97 2.311 16 0.04 3 2 7 47.68 1.907 16 0.053 1 3 26.97 3.306 16 0.17 4 4 2 39.17 2.300 8 1.5 1 1 8 48.01 1.895 8 0.442 1 4 27.32 3.264 16 25.7 2 2 6 39.66 2.273 8 1.7 6 3 3 48.14 1.890 16 0.084 1 1 27.60 3.232 16 0.14 5 2 3 39.68 2.272 16 0.03 6 4 0 48.15 1.890 8 0.233 3 0 27.77 3.212 4 5.9 6 0 0 39.68 2.271 4 1.7 7 0 2 48.20 1.888 8 5.24 0 2 28.63 3.118 8 8.3 4 1 5 39.92 2.258 16 0.05 6 2 4 48.36 1.882 16 0.213 2 3 29.30 3.048 16 1.0 3 0 6 40.23 2.242 8 0.76 6 4 1 48.53 1.876 16 0.014 2 0 29.31 3.047 8 18.8 5 3 2 40.31 2.237 16 0.55 5 0 6 48.62 1.873 8 0.394 1 2 29.39 3.039 16 10.1 4 3 4 40.49 2.228 16 0.11 4 3 6 48.62 1.873 16 0.022 2 4 29.63 3.015 8 0.86 5 0 4 40.49 2.228 8 0.04 7 1 2 48.69 1.870 16 2.14 2 1 29.88 2.990 16 0.23 6 1 1 40.69 2.217 16 0.01 5 5 2 48.69 1.870 8 2.63 3 2 30.13 2.966 8 0.62 3 1 6 40.80 2.212 16 0.02 5 3 5 48.84 1.865 16 0.043 1 4 31.08 2.878 16 2.3 5 1 4 41.06 2.198 16 3.5 5 4 4 48.85 1.864 16 0.264 2 2 31.56 2.835 16 14.1 6 0 2 41.43 2.179 8 0.06 2 0 8 48.98 1.860 8 2.04 1 3 32.17 2.782 16 0.44 4 2 5 41.61 2.171 16 0.08 7 2 1 49.02 1.858 16 0.142 1 5 32.46 2.758 16 0.18 6 2 0 41.93 2.155 8 1.9 5 1 6 49.11 1.855 16 2.83 2 4 33.15 2.703 16 3.3 6 1 2 41.98 2.152 16 0.44 2 1 8 49.47 1.842 16 0.264 3 1 33.38 2.684 16 0.02 6 2 1 42.35 2.134 16 0.04 6 4 2 49.66 1.836 16 0.23

AW

WQ

uinuclidineAlP

O–22

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

BCT Mg-BCTT

CHEMICAL COMPOSITION: |K4.56| [Si5.72Mg2.28O16]

REFINED COMPOSITION: |K4.56| [Si5.72Mg2.28O16]

CRYSTAL DATA: I4mm (No. 107)a = 8.957 A b = 8.957 A c = 5.281 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: W. A. Dollase and C. R. Ross II,American Mineralogist 78 627–632 (1993).


1 1 0 13.98 6.334 4 16.6 0 0 2 33.95 2.641 2 14.4 3 3 0 42.83 2.111 4 6.61 0 1 19.51 4.549 8 29.2 3 0 1 34.51 2.599 8 60.6 2 2 2 44.68 2.028 8 3.22 0 0 19.82 4.478 4 13.4 1 1 2 36.88 2.437 8 37.9 4 1 1 45.13 2.009 16 2.02 1 1 27.96 3.191 16 100.0 2 0 2 39.62 2.275 8 11.7 4 2 0 45.28 2.003 8 5.22 2 0 28.18 3.167 4 54.4 3 2 1 40.11 2.248 16 16.3 3 1 2 47.05 1.931 16 2.33 1 0 31.59 2.832 8 31.2 4 0 0 40.27 2.239 4 26.2

BCT

Mg-B

CT

T

504030201002 theta (°)

60

50

40

30

20

10

0

*BEA Beta, Polymorph A SiO2 Framework

CHEMICAL COMPOSITION: [Si64O128]



DLS76 refinement.

REFERENCE: J. M. Newsam, M. M. J. Treacy, W. T. Koetsier and C. B. deGruyter,Proc. Roy. Soc. (London) A420 375–405 (1988).


1 0 0 6.98 12.661 4 22.8 3 1 5 27.96 3.191 16 0.08 4 2 6 37.78 2.381 16 0.171 0 1 7.74 11.417 8 100.0 4 0 0 28.19 3.165 4 0.85 3 1 9 38.02 2.367 16 0.101 0 2 9.68 9.138 8 14.7 4 0 1 28.40 3.143 8 2.9 5 0 4 38.06 2.364 8 0.121 1 1 10.43 8.479 8 0.30 2 1 7 28.43 3.139 16 0.46 1 0 11 38.16 2.359 8 0.101 1 2 11.94 7.410 8 0.34 2 2 6 28.44 3.138 8 0.56 5 1 4 38.74 2.324 16 0.241 0 3 12.25 7.227 8 6.3 3 2 4 28.80 3.100 16 0.36 4 0 8 39.44 2.285 8 0.320 0 4 13.41 6.602 2 2.9 4 0 2 29.01 3.078 8 0.17 5 0 5 39.46 2.283 8 0.072 0 0 13.99 6.331 4 0.35 4 1 1 29.28 3.050 16 0.07 2 2 10 39.63 2.274 8 0.142 0 1 14.39 6.156 8 3.8 3 0 6 29.32 3.046 8 2.1 5 2 3 39.68 2.271 16 0.181 0 4 15.14 5.854 8 0.29 4 1 2 29.87 2.991 16 0.08 3 2 9 40.05 2.252 16 0.082 0 2 15.52 5.708 8 1.0 3 3 0 29.94 2.984 4 0.50 2 0 11 40.17 2.245 8 0.352 1 1 16.01 5.536 16 0.21 3 1 6 30.18 2.962 16 0.09 5 2 4 40.74 2.215 16 0.642 1 2 17.04 5.204 16 0.12 2 0 8 30.54 2.927 8 0.97 2 1 11 40.83 2.210 16 0.121 0 5 18.20 4.874 8 4.2 3 2 5 30.57 2.924 16 1.9 5 3 1 41.74 2.164 16 0.122 1 3 18.63 4.762 16 0.47 4 1 3 30.84 2.899 16 0.14 5 1 6 41.77 2.163 16 0.262 0 4 19.43 4.569 8 1.1 2 2 7 31.00 2.885 8 0.11 4 0 9 41.99 2.152 8 0.451 1 5 19.51 4.549 8 0.12 1 0 9 31.29 2.858 8 0.73 5 2 5 42.07 2.148 16 0.222 2 1 20.12 4.413 8 0.46 2 1 8 31.37 2.852 16 0.08 3 2 10 42.85 2.110 16 0.322 1 4 20.67 4.298 16 1.7 4 2 1 31.79 2.815 16 0.07 6 0 0 42.86 2.110 4 2.12 2 2 20.95 4.239 8 1.4 4 1 4 32.15 2.784 16 0.47 5 3 3 42.90 2.108 16 0.233 0 0 21.05 4.220 4 2.8 4 2 2 32.34 2.768 16 0.12 5 0 7 43.02 2.102 8 0.281 0 6 21.37 4.157 8 0.97 3 1 7 32.61 2.746 16 1.1 6 0 2 43.43 2.084 8 0.092 0 5 21.92 4.055 8 6.9 3 2 6 32.62 2.745 16 0.08 6 1 1 43.62 2.075 16 0.193 0 2 22.11 4.020 8 19.2 3 3 4 32.94 2.719 8 1.1 5 1 7 43.64 2.074 16 0.103 1 0 22.20 4.004 8 0.72 4 0 5 32.99 2.715 8 0.23 5 2 6 43.65 2.074 16 0.422 2 3 22.28 3.990 8 0.34 2 0 9 33.67 2.662 8 0.79 2 1 12 44.15 2.051 16 0.303 1 1 22.46 3.959 16 3.7 4 1 5 33.76 2.655 16 0.13 5 3 5 45.15 2.008 16 0.071 1 6 22.51 3.950 8 0.35 2 1 9 34.43 2.605 16 0.10 1 0 13 45.21 2.006 8 0.132 1 5 23.03 3.862 16 0.74 4 2 4 34.47 2.602 16 0.14 6 2 1 45.44 1.996 16 0.093 1 2 23.21 3.831 16 0.69 3 0 8 34.50 2.600 8 0.23 5 2 7 45.46 1.995 16 0.182 2 4 24.02 3.705 8 0.08 1 0 10 34.70 2.585 8 0.21 5 1 8 45.72 1.984 16 0.183 1 3 24.42 3.644 16 1.3 3 2 7 34.91 2.570 16 0.26 3 2 11 45.78 1.982 16 1.11 0 7 24.62 3.615 8 1.0 3 1 8 35.24 2.547 16 0.26 2 0 13 46.98 1.934 8 0.182 0 6 24.64 3.614 8 0.27 5 0 0 35.45 2.532 4 0.22 5 0 9 47.42 1.917 8 0.863 0 4 25.04 3.556 8 2.3 4 3 0 35.45 2.532 8 0.08 5 2 8 47.48 1.915 16 0.183 2 0 25.36 3.512 8 0.10 5 0 1 35.62 2.521 8 0.42 2 1 13 47.56 1.912 16 0.083 2 1 25.59 3.481 16 0.81 4 3 1 35.62 2.521 16 0.72 6 0 6 47.80 1.903 8 0.341 1 7 25.62 3.476 8 0.09 4 3 2 36.12 2.487 16 0.33 5 1 9 48.00 1.895 16 0.102 1 6 25.64 3.475 16 1.6 5 1 1 36.34 2.472 16 0.18 5 4 4 48.03 1.894 16 0.173 1 4 26.03 3.423 16 0.29 5 1 2 36.83 2.440 16 0.36 6 3 0 48.21 1.887 8 0.072 2 5 26.09 3.415 8 0.21 4 3 3 36.94 2.434 16 0.71 5 3 7 48.37 1.882 16 0.323 2 2 26.26 3.394 16 0.13 5 0 3 36.94 2.434 8 0.56 6 2 5 48.64 1.872 16 0.160 0 8 27.01 3.301 2 2.4 4 0 7 37.08 2.425 8 0.28 6 3 2 48.74 1.868 16 0.442 0 7 27.52 3.241 8 1.8 2 1 10 37.58 2.393 16 0.13 5 2 9 49.69 1.835 16 0.171 0 8 27.93 3.194 8 0.16 5 1 3 37.64 2.390 16 0.14 5 0 10 49.90 1.828 8 0.37

Zeolite beta and its mineral analog tschernichite are intergrown materials and *BEA represents

the framework of a hypothetical end member. Simulated powder patterns for intergrown variants

are presented later in this book.

*BEA

Beta,

Polym

orphA

SiO

2Fram

ework

504030201002 theta (°)

25

20

15

10

5

0

BEC FOS-5

CHEMICAL COMPOSITION: |(C3H9N)48(H2O)36| [Ge256O512]

REFINED COMPOSITION: |(C3N)48(H2O)36| [Ge256O512]

CRYSTAL DATA: I 41/a md (No. 141; origin at centre 2/m )a = 25.990 A b = 25.990 A c = 27.271 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: T. Conradsson, M.S. Dadachov and X.D. Zou,Microporous and Mesoporous Materials 41 183–191 (2000).


1 0 1 4.70 18.814 8 0.31 6 2 6 29.30 3.048 16 0.62 8 8 0 39.22 2.297 4 0.602 0 0 6.80 12.995 4 100.0 4 0 8 29.59 3.019 8 4.0 9 2 7 39.46 2.284 16 0.242 0 2 9.40 9.407 8 36.1 4 2 8 30.40 2.940 16 0.97 6 6 8 39.55 2.278 8 1.62 2 0 9.62 9.189 4 4.7 8 0 4 30.48 2.933 8 0.19 10 4 4 39.62 2.275 16 0.541 0 3 10.31 8.581 8 0.22 8 4 0 30.77 2.906 8 0.47 0 0 12 39.66 2.273 2 0.270 0 4 12.98 6.818 2 0.73 8 3 3 31.00 2.885 16 0.18 6 2 10 39.66 2.272 16 0.772 0 4 14.67 6.037 8 1.4 6 1 7 31.06 2.879 16 0.17 8 6 6 39.96 2.256 16 0.224 0 2 15.10 5.866 8 1.1 9 0 1 31.14 2.872 8 0.38 10 0 6 39.96 2.256 8 0.304 2 0 15.25 5.812 8 0.91 8 4 2 31.48 2.842 16 1.3 10 6 0 40.47 2.229 8 2.92 2 4 16.19 5.475 8 1.3 6 4 6 31.68 2.824 16 0.54 8 4 8 40.80 2.211 16 0.914 2 2 16.58 5.346 16 1.9 9 2 1 31.91 2.804 16 0.48 6 4 10 41.52 2.175 16 0.745 2 1 18.67 4.752 16 0.24 6 6 4 32.03 2.794 8 2.2 11 0 5 41.66 2.168 8 0.254 0 4 18.87 4.704 8 8.5 3 2 9 32.04 2.793 16 0.29 12 0 0 41.70 2.166 4 0.613 0 5 19.23 4.616 8 0.76 9 0 3 32.53 2.752 8 0.20 11 4 3 41.88 2.157 16 0.164 4 0 19.32 4.594 4 1.9 6 3 7 32.59 2.747 16 0.43 12 2 0 42.30 2.136 8 0.195 0 3 19.67 4.512 8 0.87 4 4 8 32.71 2.738 8 0.51 10 4 6 42.41 2.131 16 0.524 2 4 20.08 4.423 16 3.1 7 0 7 33.34 2.688 8 0.17 8 0 10 43.32 2.089 8 0.436 0 0 20.50 4.332 4 2.8 6 0 8 33.45 2.679 8 2.0 11 6 1 43.77 2.068 16 0.192 0 6 20.70 4.290 8 6.2 2 0 10 33.58 2.669 8 1.2 8 6 8 43.80 2.067 16 0.346 0 2 21.52 4.128 8 19.7 8 3 5 33.74 2.657 16 0.19 10 0 8 43.80 2.067 8 0.686 2 0 21.62 4.109 8 3.0 8 0 6 33.92 2.643 8 0.22 10 2 8 44.38 2.041 16 0.376 2 2 22.60 3.935 16 4.2 6 2 8 34.17 2.624 16 3.4 10 8 0 44.65 2.029 8 0.444 4 4 23.35 3.810 8 1.5 5 0 9 34.25 2.618 8 0.16 6 0 12 45.05 2.012 8 0.164 0 6 23.89 3.724 8 0.43 10 0 0 34.51 2.599 4 0.57 10 8 2 45.17 2.007 16 1.26 0 4 24.34 3.656 8 3.2 8 6 0 34.51 2.599 8 0.26 13 0 1 45.49 1.994 8 0.176 4 0 24.70 3.604 8 0.33 8 2 6 34.63 2.590 16 0.39 8 4 10 45.62 1.989 16 0.174 2 6 24.87 3.580 16 0.54 5 2 9 34.96 2.566 16 0.38 12 4 4 46.14 1.967 16 0.323 0 7 25.06 3.553 8 0.25 10 0 2 35.15 2.553 8 1.9 12 6 0 46.90 1.937 8 0.287 2 1 25.16 3.540 16 0.38 8 6 2 35.15 2.553 16 2.9 2 0 14 47.18 1.926 8 0.166 2 4 25.30 3.519 16 1.4 9 0 5 35.16 2.552 8 0.71 6 4 12 47.28 1.922 16 0.216 4 2 25.56 3.484 16 0.56 10 2 0 35.21 2.549 8 1.1 8 8 8 47.74 1.905 8 0.227 0 3 25.92 3.437 8 1.7 6 4 8 36.27 2.477 16 1.3 10 0 10 48.38 1.881 8 2.20 0 8 26.14 3.409 2 2.7 8 4 6 36.71 2.448 16 0.16 8 6 10 48.38 1.881 16 0.992 0 8 27.04 3.297 8 1.2 10 0 4 37.02 2.429 8 0.22 10 6 8 48.82 1.865 16 0.358 0 0 27.45 3.249 4 4.9 10 4 0 37.26 2.413 8 0.76 12 6 4 48.88 1.863 16 0.382 2 8 27.92 3.196 8 0.28 9 6 1 37.58 2.394 16 0.26 11 0 9 48.88 1.863 8 0.236 4 4 28.00 3.186 16 2.5 10 2 4 37.68 2.387 16 0.22 8 0 12 48.91 1.862 8 0.238 0 2 28.24 3.160 8 0.61 6 3 9 37.69 2.387 16 0.16 10 2 10 48.91 1.862 16 0.578 2 0 28.32 3.152 8 0.17 10 4 2 37.86 2.376 16 0.37 7 6 11 48.92 1.862 16 0.296 0 6 28.46 3.136 8 3.2 11 0 1 38.23 2.354 8 0.39 10 8 6 49.16 1.853 16 0.564 3 7 28.63 3.117 16 0.26 8 0 8 38.27 2.352 8 3.2 8 5 11 49.46 1.843 16 0.215 0 7 28.63 3.117 8 0.55 7 0 9 38.34 2.348 8 0.17 14 0 2 49.55 1.839 8 0.538 2 2 29.08 3.071 16 1.5 11 2 1 38.88 2.316 16 0.23 14 2 0 49.60 1.838 8 0.197 0 5 29.09 3.069 8 0.79 7 2 9 38.99 2.310 16 0.18 10 10 0 49.60 1.838 4 0.476 6 0 29.15 3.063 4 0.43 6 0 10 39.03 2.308 8 1.9 12 0 8 49.88 1.828 8 0.19

BEC

FO

S-5

504030201002 theta (°)

40

35

30

25

20

15

10

5

0

BIK Bikitaite

CHEMICAL COMPOSITION: |Li2(H2O)2| [Si4Al2O12]Bikita, Zimbabwe

REFINED COMPOSITION: |Li1.86(H2O)2| [Si3.89Al2.13O12]


Neutron single crystal refinement, Rw = 0.056

REFERENCE: K. Stahl, A. Kvick and S. Ghose,Zeolites 9 303–311 (1989).


1 0 0 11.29 7.836 2 45.2 2 -1 1 35.64 2.519 2 9.3 0 -1 3 43.32 2.089 2 0.730 0 1 12.80 6.917 2 30.6 -1 0 3 35.76 2.511 2 0.27 -1 2 2 43.59 2.076 2 0.01

-1 0 1 13.11 6.754 2 16.1 -3 -1 1 36.20 2.482 2 18.6 -1 -2 2 43.66 2.073 2 0.021 0 1 20.34 4.366 2 31.3 -3 1 1 36.21 2.481 2 18.4 -3 1 3 44.17 2.050 2 4.0

-2 0 1 20.93 4.244 2 9.7 0 2 0 36.27 2.477 2 43.5 -3 -1 3 44.21 2.049 2 4.11 1 0 21.21 4.189 2 69.7 1 1 2 37.17 2.419 2 1.9 0 2 2 44.97 2.016 2 4.51 -1 0 21.23 4.185 2 68.2 1 -1 2 37.23 2.415 2 2.5 0 -2 2 45.06 2.012 2 3.60 1 1 22.05 4.031 2 0.60 1 2 0 38.09 2.363 2 0.47 1 0 3 45.36 1.999 2 7.50 -1 1 22.09 4.024 2 0.46 -3 1 2 38.10 2.362 2 3.9 2 1 2 45.36 1.999 2 0.09

-1 1 1 22.24 3.997 2 5.4 1 -2 0 38.11 2.361 2 0.51 -2 2 2 45.38 1.998 2 4.9-1 -1 1 22.27 3.993 2 4.6 -3 -1 2 38.12 2.361 2 4.5 2 -1 2 45.43 1.996 2 0.372 0 0 22.69 3.918 2 2.4 0 2 1 38.58 2.333 2 1.5 -2 -2 2 45.43 1.996 2 4.3

-1 0 2 23.43 3.797 2 9.3 0 -2 1 38.63 2.330 2 1.3 3 1 1 45.70 1.985 2 4.30 0 2 25.76 3.458 2 100.0 -1 2 1 38.70 2.326 2 1.5 3 -1 1 45.75 1.983 2 4.4

-2 0 2 26.39 3.377 2 78.4 -1 -2 1 38.73 2.325 2 1.7 4 0 0 46.35 1.959 2 7.01 1 1 27.20 3.279 2 25.4 3 1 0 38.96 2.312 2 1.1 -4 -1 1 46.39 1.957 2 0.871 -1 1 27.25 3.273 2 23.3 3 -1 0 39.00 2.310 2 1.7 -4 1 1 46.41 1.956 2 0.82

-2 1 1 27.67 3.223 2 20.0 0 0 3 39.07 2.306 2 0.97 -4 1 2 46.55 1.951 2 0.68-2 -1 1 27.68 3.223 2 20.4 -3 0 3 40.05 2.251 2 0.02 -4 -1 2 46.56 1.951 2 0.562 1 0 29.04 3.075 2 13.5 -1 1 3 40.24 2.241 2 1.9 -4 0 3 46.81 1.941 2 2.22 -1 0 29.07 3.072 2 14.9 -1 -1 3 40.30 2.238 2 2.0 -2 0 4 47.92 1.898 2 15.0

-1 1 2 29.62 3.016 2 0.59 -2 1 3 40.56 2.224 2 0.40 2 2 1 48.07 1.893 2 1.8-1 -1 2 29.67 3.011 2 0.97 -2 -1 3 40.61 2.221 2 0.64 2 -2 1 48.15 1.890 2 1.72 0 1 30.52 2.929 2 5.9 2 0 2 41.36 2.183 2 0.04 -3 -2 1 48.57 1.875 2 2.7

-3 0 1 31.20 2.867 2 8.7 3 0 1 41.71 2.165 2 0.12 -3 2 1 48.58 1.874 2 2.60 1 2 31.52 2.838 2 0.67 1 2 1 41.90 2.156 2 0.86 -1 0 4 49.03 1.858 2 0.530 -1 2 31.58 2.833 2 0.66 1 -2 1 41.97 2.153 2 0.97 1 1 3 49.11 1.855 2 6.9

-2 1 2 32.06 2.792 2 2.7 -2 2 1 42.24 2.139 2 0.95 1 -1 3 49.18 1.853 2 6.0-2 -1 2 32.09 2.789 2 3.0 -2 -2 1 42.25 2.139 2 1.3 1 2 2 49.31 1.848 2 0.021 0 2 32.33 2.769 2 0.11 -4 0 1 42.44 2.130 2 0.15 1 -2 2 49.42 1.844 2 0.12

-3 0 2 33.36 2.686 2 0.03 2 2 0 43.19 2.095 2 0.56 -3 0 4 49.76 1.832 2 0.423 0 0 34.33 2.612 2 0.03 2 -2 0 43.23 2.093 2 0.572 1 1 35.58 2.523 2 8.8 0 1 3 43.25 2.092 2 0.35

BIK

Bikitaite

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

BOG Boggsite

CHEMICAL COMPOSITION: |Na2.9Ca7.8(H2O)70| [Si77.5Al18.3O192]Goble area, Oregon, U.S.A.

REFINED COMPOSITION: |(H2O)137.04| [Si77.76Al18.24O192]

CRYSTAL DATA: Imma (No. 74)a = 20.236 A b = 23.798 A c = 12.798 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: J. J. Pluth and J. V. Smith,American Mineralogist 75 501–507 (1990).


0 2 0 7.43 11.899 2 13.6 2 6 2 27.89 3.198 8 19.0 3 2 5 38.37 2.346 8 0.510 1 1 7.84 11.271 4 68.2 0 5 3 28.09 3.177 4 1.5 8 4 0 38.68 2.328 4 1.31 0 1 8.17 10.816 4 9.2 5 3 2 28.42 3.141 8 1.7 6 5 3 38.95 2.312 8 1.32 0 0 8.74 10.118 2 10.8 4 6 0 28.60 3.121 4 0.47 7 5 2 39.08 2.305 8 1.11 2 1 11.05 8.004 8 8.7 0 2 4 28.90 3.090 4 0.66 7 6 1 39.20 2.298 8 4.42 2 0 11.48 7.708 4 3.9 3 4 3 28.96 3.083 8 5.7 3 8 3 39.26 2.295 8 1.52 1 1 11.75 7.529 8 4.6 2 0 4 29.28 3.051 4 8.0 0 5 5 39.99 2.254 4 2.70 3 1 13.13 6.742 4 11.0 0 8 0 30.04 2.975 2 15.8 0 9 3 40.12 2.247 4 1.73 0 1 14.85 5.967 4 3.0 5 0 3 30.44 2.936 4 1.6 3 4 5 40.63 2.220 8 0.440 2 2 15.72 5.636 4 5.7 1 3 4 30.45 2.936 8 4.4 5 5 4 40.64 2.220 8 0.522 3 1 15.79 5.611 8 1.8 1 6 3 31.10 2.875 8 11.4 3 10 1 40.82 2.210 8 0.661 4 1 17.01 5.213 8 2.3 3 1 4 31.17 2.870 8 9.1 8 1 3 41.68 2.167 8 0.642 4 0 17.29 5.129 4 1.3 5 2 3 31.38 2.851 8 1.8 5 0 5 41.75 2.163 4 3.24 0 0 17.53 5.059 2 0.72 0 4 4 31.75 2.818 4 4.2 0 11 1 42.37 2.133 4 2.52 2 2 18.02 4.924 8 8.8 4 6 2 31.90 2.805 8 0.80 2 8 4 42.44 2.130 8 2.34 2 0 19.06 4.656 4 0.96 5 5 2 32.23 2.778 8 17.2 8 3 3 43.11 2.098 8 0.910 5 1 19.90 4.461 4 29.4 5 6 1 32.37 2.766 8 2.1 5 9 2 43.25 2.092 8 0.700 4 2 20.38 4.357 4 29.4 7 2 1 32.63 2.744 8 0.55 7 3 4 43.72 2.071 8 0.643 4 1 21.09 4.213 8 5.6 3 3 4 32.98 2.716 8 0.95 4 9 3 44.09 2.054 8 2.10 1 3 21.16 4.199 4 2.3 2 4 4 33.00 2.715 8 3.5 1 3 6 44.20 2.049 8 1.71 0 3 21.28 4.174 4 3.0 4 5 3 33.30 2.690 8 0.81 3 6 5 44.20 2.049 8 2.03 3 2 22.19 4.007 8 8.4 3 6 3 33.59 2.668 8 5.5 1 9 4 44.68 2.028 8 1.002 4 2 22.21 4.002 8 0.60 6 4 2 33.60 2.667 8 0.61 3 1 6 44.72 2.026 8 0.934 0 2 22.40 3.969 4 0.83 5 4 3 34.05 2.633 8 21.0 5 10 1 44.74 2.026 8 1.00 6 0 22.41 3.966 2 9.0 1 5 4 34.05 2.633 8 0.69 10 0 0 44.79 2.024 2 14.21 2 3 22.57 3.939 8 1.0 6 1 3 34.10 2.630 8 0.60 0 4 6 45.16 2.008 4 0.975 0 1 23.05 3.859 4 100.0 7 1 2 34.24 2.618 8 1.6 2 7 5 45.24 2.004 8 1.34 4 0 23.08 3.854 4 0.51 0 9 1 34.64 2.590 4 12.9 8 0 4 45.72 1.984 4 6.40 3 3 23.68 3.757 4 15.1 6 6 0 34.92 2.569 4 0.75 0 12 0 45.75 1.983 2 5.21 6 1 23.90 3.724 8 3.2 7 4 1 35.22 2.548 8 1.7 8 5 3 45.86 1.979 8 3.02 6 0 24.10 3.693 4 15.7 0 1 5 35.27 2.545 4 0.58 3 3 6 46.07 1.970 8 0.845 2 1 24.25 3.671 8 12.1 1 0 5 35.35 2.539 4 1.5 8 2 4 46.39 1.957 8 1.43 0 3 24.69 3.605 4 37.9 8 0 0 35.49 2.530 2 1.6 3 9 4 46.55 1.951 8 8.92 3 3 25.29 3.522 8 10.1 6 3 3 35.78 2.510 8 0.61 9 6 1 46.99 1.934 8 0.611 4 3 26.08 3.417 8 4.4 7 3 2 35.92 2.500 8 3.2 10 0 2 47.10 1.929 4 0.465 1 2 26.32 3.386 8 61.3 0 6 4 36.07 2.490 4 1.2 5 6 5 47.90 1.899 8 0.450 6 2 26.44 3.371 4 64.6 3 5 4 36.36 2.471 8 4.4 0 12 2 48.03 1.894 4 1.53 5 2 26.83 3.323 8 2.7 0 3 5 36.90 2.436 4 4.6 8 4 4 48.35 1.882 8 1.13 6 1 26.99 3.303 8 5.5 5 7 2 37.29 2.411 8 8.1 0 6 6 48.46 1.879 4 1.44 4 2 27.01 3.301 8 0.96 7 0 3 37.58 2.393 4 0.78 3 5 6 48.69 1.870 8 2.76 2 0 27.49 3.245 4 2.4 5 3 4 37.59 2.393 8 2.2 2 12 2 48.92 1.862 8 0.955 4 1 27.55 3.237 8 0.47 6 6 2 37.73 2.384 8 0.84 5 3 6 49.66 1.836 8 0.476 1 1 27.61 3.231 8 1.5 0 10 0 37.80 2.380 2 0.91 10 4 2 49.67 1.835 8 0.544 1 3 27.61 3.231 8 0.63 2 3 5 37.99 2.368 8 3.7 8 7 3 49.75 1.833 8 0.790 0 4 27.88 3.200 2 7.0 5 8 1 38.20 2.356 8 0.53 5 11 2 49.87 1.828 8 0.72

BO

GBoggsite

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

BPH Beryllophosphate-H

CHEMICAL COMPOSITION: |Na7K7(H2O)20| [Be14P14O56]

REFINED COMPOSITION: |Na8.36K5.49(H2O)30.48| [Be14P14O56]



REFERENCE: G. Harvey, Ch. Baerlocher and T. Wroblewski,Z. Kristallogr. 201 113–123 (1992).


0 0 1 7.10 12.451 2 68.8 3 0 3 32.77 2.733 6 3.4 3 3 0 43.14 2.097 6 4.51 0 0 8.11 10.896 6 100.0 4 0 0 32.88 2.724 6 10.1 0 0 6 43.62 2.075 2 3.01 0 1 10.79 8.200 6 0.12 3 1 2 32.95 2.719 12 4.3 3 3 1 43.78 2.068 12 2.70 1 1 10.79 8.200 6 1.3 1 3 2 32.95 2.719 12 4.4 4 1 3 43.88 2.063 12 4.71 1 0 14.08 6.291 6 2.6 0 2 4 33.15 2.703 6 0.17 1 4 3 43.88 2.063 12 1.40 0 2 14.23 6.225 2 2.4 2 0 4 33.15 2.703 6 1.4 4 2 0 43.97 2.059 12 0.061 1 1 15.78 5.615 12 7.5 4 0 1 33.68 2.661 6 0.36 5 0 2 44.02 2.057 6 1.62 0 0 16.27 5.448 6 1.1 0 4 1 33.68 2.661 6 1.9 0 5 2 44.02 2.057 6 0.681 0 2 16.40 5.405 6 1.5 2 2 3 35.82 2.507 12 4.3 0 3 5 44.09 2.054 6 0.130 1 2 16.40 5.405 6 0.50 3 2 0 35.93 2.500 12 4.4 3 0 5 44.09 2.054 6 0.010 2 1 17.77 4.991 6 0.08 4 0 2 35.99 2.496 6 0.18 4 0 4 44.18 2.050 6 0.302 0 1 17.77 4.991 6 1.3 0 4 2 35.99 2.496 6 0.04 0 4 4 44.18 2.050 6 0.161 1 2 20.07 4.425 12 1.8 0 0 5 36.07 2.490 2 1.6 0 1 6 44.44 2.038 6 0.020 0 3 21.41 4.150 2 2.9 1 2 4 36.17 2.483 12 9.1 1 0 6 44.44 2.038 6 0.262 1 0 21.58 4.118 12 9.1 2 1 4 36.17 2.483 12 5.2 2 4 1 44.60 2.032 12 0.160 2 2 21.68 4.100 6 3.8 2 3 1 36.67 2.451 12 0.78 4 2 1 44.60 2.032 12 1.52 0 2 21.68 4.100 6 2.6 3 2 1 36.67 2.451 12 1.9 3 3 2 45.65 1.987 12 0.741 2 1 22.74 3.910 12 24.3 1 3 3 36.79 2.443 12 0.37 1 1 6 46.06 1.971 12 0.782 1 1 22.74 3.910 12 15.5 3 1 3 36.79 2.443 12 1.5 5 1 0 46.40 1.957 12 4.10 1 3 22.93 3.878 6 0.92 0 1 5 37.03 2.428 6 2.9 2 4 2 46.45 1.955 12 0.301 0 3 22.93 3.878 6 14.3 1 0 5 37.03 2.428 6 0.02 4 2 2 46.45 1.955 12 1.43 0 0 24.51 3.632 6 0.06 4 1 0 37.84 2.378 12 1.8 2 2 5 46.51 1.952 12 0.353 0 1 25.55 3.487 6 4.3 0 3 4 38.07 2.363 6 0.10 2 3 4 46.60 1.949 12 0.150 3 1 25.55 3.487 6 0.04 4 1 1 38.55 2.335 12 0.56 3 2 4 46.60 1.949 12 0.211 1 3 25.72 3.464 12 11.2 1 4 1 38.55 2.335 12 0.36 0 2 6 46.85 1.939 6 0.162 1 2 25.94 3.435 12 12.6 2 3 2 38.82 2.320 12 0.34 2 0 6 46.85 1.939 6 1.11 2 2 25.94 3.435 12 6.1 3 2 2 38.82 2.320 12 1.5 1 5 1 47.00 1.933 12 1.72 0 3 27.01 3.301 6 0.39 1 1 5 38.90 2.315 12 1.8 5 1 1 47.00 1.933 12 0.560 2 3 27.01 3.301 6 0.14 4 0 3 39.57 2.277 6 0.03 5 0 3 47.10 1.929 6 0.372 2 0 28.37 3.145 6 6.3 0 4 3 39.57 2.277 6 0.61 0 5 3 47.10 1.929 6 1.70 3 2 28.45 3.137 6 9.4 0 2 5 39.80 2.265 6 0.72 1 3 5 47.30 1.922 12 1.83 0 2 28.45 3.137 6 2.1 2 0 5 39.80 2.265 6 0.52 3 1 5 47.30 1.922 12 1.80 0 4 28.68 3.113 2 0.06 1 4 2 40.62 2.221 12 0.57 4 1 4 48.16 1.889 12 0.522 2 1 29.29 3.050 12 20.4 4 1 2 40.62 2.221 12 0.02 1 4 4 48.16 1.889 12 0.033 1 0 29.56 3.022 12 5.9 2 2 4 40.78 2.212 12 2.1 3 3 3 48.65 1.872 12 0.171 0 4 29.85 2.993 6 0.20 5 0 0 41.43 2.179 6 9.2 1 5 2 48.78 1.867 12 0.310 1 4 29.85 2.993 6 0.12 3 1 4 41.65 2.168 12 3.7 5 1 2 48.78 1.867 12 0.231 3 1 30.44 2.937 12 1.4 1 3 4 41.65 2.168 12 6.6 2 1 6 49.16 1.853 12 0.553 1 1 30.44 2.937 12 16.1 0 5 1 42.09 2.147 6 0.63 1 2 6 49.16 1.853 12 0.872 1 3 30.58 2.923 12 10.8 5 0 1 42.09 2.147 6 1.3 2 4 3 49.41 1.845 12 0.211 2 3 30.58 2.923 12 5.9 2 3 3 42.20 2.141 12 2.1 4 2 3 49.41 1.845 12 0.952 2 2 31.88 2.807 12 27.3 3 2 3 42.20 2.141 12 1.5 0 4 5 49.60 1.838 6 0.181 1 4 32.08 2.790 12 47.5 2 1 5 42.42 2.131 12 1.0 4 0 5 49.60 1.838 6 0.120 3 3 32.77 2.733 6 5.6 1 2 5 42.42 2.131 12 0.53

BPH

Beryllophosphate-H

504030201002 theta (°)

70

60

50

40

30

20

10

0

BRE Brewsterite

CHEMICAL COMPOSITION: |K0.02Ba0.48Sr1.42(H2O)10| [Si12Al4O32]Strontian, Argyll, Scotland

REFINED COMPOSITION: |Ba0.52Sr1.48(H2O)10| [Si12Al4O32]

CRYSTAL DATA: P1 21/m 1 (No. 11; unique axis b)a = 6.793 A b = 17.573 A c = 7.759 Aα = 90◦ β = 94.54◦ γ = 90◦


REFERENCE: J. L. Schlenker, J. J. Pluth and J. V. Smith,Acta Cryst. B33 2907–2910 (1977).


0 2 0 10.07 8.786 2 5.3 1 5 1 31.31 2.857 4 7.9 3 2 0 41.29 2.186 4 1.40 0 1 11.44 7.735 2 5.4 1 3 2 31.48 2.841 4 6.4 1 3 3 41.42 2.180 4 3.00 1 1 12.50 7.079 4 18.8 -2 3 1 31.90 2.806 4 18.3 1 6 2 41.51 2.176 4 1.11 0 0 13.07 6.772 2 43.0 0 6 1 32.69 2.739 4 13.7 -2 6 1 41.83 2.159 4 1.21 1 0 14.02 6.319 4 100.0 -1 4 2 32.84 2.727 4 23.8 -1 4 3 41.89 2.157 4 2.00 2 1 15.26 5.806 4 2.9 1 6 0 33.33 2.688 4 1.1 -3 2 1 42.08 2.147 4 6.5

-1 0 1 16.70 5.307 2 18.6 2 4 0 33.41 2.682 4 9.9 2 4 2 42.19 2.142 4 11.7-1 1 1 17.45 5.081 4 58.5 2 3 1 33.42 2.681 4 10.1 -2 0 3 42.35 2.134 2 1.61 0 1 18.08 4.906 2 22.5 -2 0 2 33.78 2.654 2 0.62 3 0 1 42.60 2.122 2 7.71 1 1 18.78 4.725 4 31.1 -2 1 2 34.17 2.624 4 14.1 -2 1 3 42.67 2.119 4 2.30 3 1 19.00 4.670 4 79.8 1 4 2 34.33 2.612 4 2.8 -2 5 2 42.69 2.118 4 4.6

-1 2 1 19.54 4.543 4 75.6 0 5 2 34.48 2.601 4 3.5 3 3 0 42.94 2.106 4 10.31 3 0 20.04 4.430 4 1.1 0 0 3 34.80 2.578 2 22.0 0 5 3 43.53 2.079 4 1.70 4 0 20.21 4.393 2 1.0 -1 6 1 34.99 2.564 4 0.80 -3 3 1 43.70 2.071 4 1.91 2 1 20.74 4.284 4 5.0 -2 2 2 35.33 2.540 4 5.0 1 4 3 43.70 2.071 4 7.7

-1 3 1 22.61 3.933 4 35.6 1 6 1 35.70 2.515 4 13.5 3 2 1 43.89 2.063 4 5.90 0 2 23.00 3.867 2 18.9 2 4 1 36.13 2.486 4 8.6 -1 7 2 44.50 2.036 4 2.00 4 1 23.28 3.820 4 10.0 -1 0 3 36.29 2.476 2 1.4 -1 8 1 44.64 2.030 4 4.40 1 2 23.55 3.777 4 30.4 0 2 3 36.31 2.474 4 4.9 -1 5 3 44.78 2.024 4 20.81 3 1 23.65 3.761 4 0.69 -1 5 2 36.33 2.472 4 3.4 -3 0 2 44.86 2.020 2 7.31 4 0 24.15 3.686 4 13.2 2 0 2 36.63 2.453 2 5.0 1 8 1 45.23 2.005 4 1.10 2 2 25.16 3.540 4 25.9 -1 1 3 36.66 2.451 4 5.5 3 3 1 45.46 1.995 4 0.80

-1 0 2 25.60 3.479 2 1.9 2 5 0 36.86 2.438 4 0.60 1 7 2 45.67 1.987 4 2.6-1 1 2 26.11 3.413 4 28.6 -2 3 2 37.20 2.417 4 11.2 -3 4 1 45.89 1.977 4 10.62 0 0 26.32 3.386 2 0.61 0 7 1 37.67 2.388 4 1.4 2 0 3 45.90 1.977 2 1.5

-1 4 1 26.33 3.384 4 3.2 1 5 2 37.70 2.386 4 3.1 -2 7 1 45.97 1.974 4 1.62 1 0 26.81 3.325 4 2.7 -1 2 3 37.75 2.383 4 4.9 -3 2 2 46.10 1.969 4 1.71 4 1 27.25 3.273 4 69.2 -2 5 1 38.06 2.365 4 7.0 1 5 3 46.51 1.953 4 14.91 0 2 27.45 3.249 2 1.3 2 2 2 38.09 2.363 4 1.8 0 6 3 46.95 1.935 4 1.8

-1 2 2 27.58 3.235 4 0.56 1 7 0 38.23 2.354 4 16.8 0 0 4 46.99 1.934 2 1.10 5 1 27.88 3.200 4 5.7 0 6 2 38.56 2.335 4 3.4 2 7 1 47.10 1.929 4 2.4

-2 0 1 27.92 3.196 2 10.0 1 1 3 38.68 2.328 4 3.5 2 2 3 47.11 1.929 4 2.01 1 2 27.92 3.195 4 23.0 -1 3 3 39.52 2.280 4 1.6 0 1 4 47.29 1.922 4 0.632 2 0 28.25 3.159 4 2.1 -2 4 2 39.68 2.271 4 9.5 -2 4 3 47.35 1.920 4 1.8

-2 1 1 28.38 3.144 4 3.0 -1 7 1 39.72 2.269 4 1.4 -3 3 2 47.61 1.910 4 0.831 5 0 28.61 3.119 4 28.6 1 2 3 39.73 2.269 4 1.9 -1 0 4 47.89 1.899 2 4.81 2 2 29.30 3.048 4 41.2 2 3 2 39.84 2.263 4 8.6 3 5 0 47.89 1.899 4 2.62 0 1 29.63 3.015 2 10.4 3 0 0 39.94 2.257 2 0.75 0 9 1 48.06 1.893 4 6.0

-2 2 1 29.74 3.003 4 9.3 -1 6 2 40.25 2.241 4 0.72 3 0 2 48.26 1.886 2 3.2-1 3 2 29.87 2.991 4 5.9 3 1 0 40.28 2.239 4 3.8 -1 8 2 49.04 1.857 4 1.42 1 1 30.07 2.972 4 18.0 1 7 1 40.36 2.235 4 3.1 -1 2 4 49.07 1.857 4 5.52 3 0 30.49 2.931 4 56.5 0 4 3 40.57 2.224 4 7.6 3 2 2 49.44 1.844 4 1.5

-1 5 1 30.51 2.930 4 41.1 2 6 0 40.73 2.215 4 8.6 2 8 0 49.46 1.843 4 2.50 6 0 30.52 2.929 2 13.8 -3 1 1 41.08 2.197 4 0.78 0 3 4 49.65 1.836 4 4.20 4 2 30.80 2.903 4 7.1 0 8 0 41.09 2.197 2 8.5 -3 4 2 49.67 1.836 4 1.0

BRE

Brew

sterite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

CAN Cancrinite

CHEMICAL COMPOSITION: |Na7Ca0.9(CO3)1.4(H2O)2.1| [Si6Al6O24]Synthetic crystal.

REFINED COMPOSITION: |Na8(CO3)1.2(H2O)2| [Si6Al6O24]



REFERENCE: Y. I. Smolin, Y. F. Shepelev, I. K. Butikova and I. B. Kobyakov,Kristallografiya 26 63–66 (1981).


1 0 0 8.08 10.942 6 3.9 1 3 1 34.36 2.610 12 19.8 4 1 1 41.75 2.164 12 4.41 1 0 14.02 6.317 6 59.5 3 1 1 34.36 2.610 12 10.2 3 3 0 42.95 2.106 6 21.62 0 0 16.20 5.471 6 3.7 0 0 2 35.09 2.557 2 42.0 3 0 2 43.20 2.094 12 13.61 0 1 19.15 4.634 12 100.0 2 3 0 35.77 2.510 6 1.7 2 4 0 43.78 2.068 6 0.252 1 0 21.49 4.136 6 6.1 3 2 0 35.77 2.510 6 1.3 5 0 1 45.06 2.012 12 4.91 2 0 21.49 4.136 6 0.65 1 0 2 36.06 2.490 12 1.2 2 2 2 45.64 1.988 12 0.511 1 1 22.36 3.975 12 1.0 4 0 1 37.27 2.412 12 34.0 5 1 0 46.19 1.965 6 0.472 0 1 23.81 3.736 12 2.7 4 1 0 37.67 2.388 6 0.75 1 5 0 46.19 1.965 6 0.043 0 0 24.40 3.647 6 55.1 1 4 0 37.67 2.388 6 3.4 3 1 2 46.43 1.956 12 0.382 1 1 27.74 3.216 12 61.4 1 1 2 37.95 2.371 12 1.1 1 3 2 46.43 1.956 12 0.551 2 1 27.74 3.216 12 56.9 2 0 2 38.87 2.317 12 2.6 2 4 1 47.42 1.917 12 1.32 2 0 28.25 3.159 6 0.27 2 3 1 40.01 2.254 12 10.4 4 2 1 47.42 1.917 12 1.11 3 0 29.43 3.035 6 3.2 3 2 1 40.01 2.254 12 10.4 4 0 2 48.74 1.868 12 13.13 1 0 29.43 3.035 6 0.87 5 0 0 41.25 2.188 6 1.7 1 5 1 49.70 1.835 12 0.463 0 1 30.09 2.970 12 4.3 1 2 2 41.51 2.175 12 1.5 5 1 1 49.70 1.835 12 0.264 0 0 32.74 2.736 6 42.6 2 1 2 41.51 2.175 12 1.92 2 1 33.34 2.688 12 0.14 1 4 1 41.75 2.164 12 6.7

CAN

Cancrinite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

CAN Tiptopite

CHEMICAL COMPOSITION: |K2Li2.9Na1.7Ca0.7(H2O)1.3(OH)220.7| [Be6P6O24]2 = cation vacancyTip Top Mine, Custer, S. Dakota, U.S.A.

REFINED COMPOSITION: |Li2.9Na1.7K2Ca0.7O6| [Be6P6O24]



REFERENCE: D. R. Peacor, R. C. Rouse and J. H. Ahn,American Mineralogist 72 816–820 (1987).


1 0 0 8.76 10.094 6 0.81 3 0 1 32.75 2.734 12 3.5 2 3 1 43.59 2.076 12 10.51 1 0 15.20 5.827 6 9.0 4 0 0 35.58 2.523 6 43.2 3 2 1 43.59 2.076 12 4.22 0 0 17.57 5.047 6 5.5 2 2 1 36.29 2.475 12 0.02 5 0 0 44.90 2.019 6 0.071 0 1 20.88 4.255 12 13.4 3 1 1 37.41 2.404 12 3.1 2 1 2 45.38 1.998 12 4.12 1 0 23.32 3.815 6 2.0 1 3 1 37.41 2.404 12 1.7 1 2 2 45.38 1.998 12 3.21 2 0 23.32 3.815 6 38.8 0 0 2 38.37 2.346 2 31.8 4 1 1 45.49 1.994 12 1.71 1 1 24.35 3.655 12 31.9 2 3 0 38.89 2.316 6 1.3 1 4 1 45.49 1.994 12 0.922 0 1 25.93 3.436 12 20.2 3 2 0 38.89 2.316 6 3.7 3 3 0 46.76 1.942 6 11.73 0 0 26.49 3.365 6 44.1 1 0 2 39.43 2.285 12 1.2 3 0 2 47.23 1.924 12 0.962 1 1 30.19 2.960 12 100.0 4 0 1 40.59 2.222 12 20.6 2 4 0 47.67 1.907 6 0.311 2 1 30.19 2.960 12 34.2 4 1 0 40.97 2.203 6 2.7 4 2 0 47.67 1.907 6 0.132 2 0 30.68 2.914 6 0.08 1 4 0 40.97 2.203 6 2.4 5 0 1 49.13 1.854 12 0.603 1 0 31.97 2.799 6 0.79 1 1 2 41.49 2.176 12 7.7 2 2 2 49.91 1.827 12 2.01 3 0 31.97 2.799 6 0.70 2 0 2 42.49 2.127 12 0.05

CAN

Tiptopite

504030201002 theta (°)

35

30

25

20

15

10

5

0

CAS Cs-Aluminosilicate

CHEMICAL COMPOSITION: |Cs4| [Si24O48]

REFINED COMPOSITION: |Cs3.26| [Si24O48]

CRYSTAL DATA: Ama2 (No. 40)a = 16.776 A b = 13.828 A c = 5.021 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: T. Araki,Z. Kristallogr. 152 207–213 (1980).


2 0 0 10.55 8.388 2 0.20 4 4 0 33.59 2.668 4 2.1 7 1 1 42.29 2.137 8 4.50 2 0 12.80 6.914 2 1.7 4 3 1 33.97 2.639 8 3.9 3 6 0 42.42 2.131 4 1.81 2 0 13.85 6.392 4 0.06 6 2 0 34.60 2.592 4 4.5 4 5 1 43.12 2.098 8 4.32 2 0 16.62 5.335 4 0.88 0 0 2 35.77 2.510 2 12.5 8 0 0 43.14 2.097 2 2.40 1 1 18.80 4.720 4 2.0 0 5 1 37.11 2.422 4 3.4 4 2 2 44.03 2.057 8 3.41 1 1 19.54 4.543 8 2.9 5 4 0 37.35 2.408 4 1.8 0 4 2 44.61 2.031 4 0.283 2 0 20.43 4.348 4 1.1 6 1 1 37.38 2.406 8 6.7 4 6 0 44.87 2.020 4 0.974 0 0 21.18 4.194 2 0.75 2 0 2 37.39 2.405 4 1.7 1 4 2 44.95 2.017 8 3.72 1 1 21.60 4.113 8 48.3 1 5 1 37.51 2.398 8 1.8 8 2 0 45.18 2.007 4 0.073 1 1 24.68 3.607 8 100.0 5 3 1 37.69 2.387 8 0.15 2 4 2 45.97 1.974 8 1.04 2 0 24.83 3.586 4 53.4 0 2 2 38.14 2.360 4 8.4 7 4 0 46.08 1.970 4 0.190 4 0 25.77 3.457 2 20.8 1 2 2 38.53 2.337 8 1.8 5 5 1 46.22 1.964 8 1.50 3 1 26.25 3.396 4 17.8 2 5 1 38.69 2.327 8 7.8 7 3 1 46.37 1.958 8 2.61 4 0 26.32 3.386 4 22.3 0 6 0 39.08 2.305 2 0.04 5 2 2 47.08 1.930 8 4.01 3 1 26.79 3.328 8 39.4 1 6 0 39.47 2.283 4 2.2 8 1 1 47.44 1.916 8 0.612 4 0 27.91 3.196 4 5.7 2 2 2 39.68 2.272 8 1.3 3 4 2 47.63 1.909 8 4.12 3 1 28.36 3.147 8 6.1 7 2 0 39.81 2.264 4 1.6 5 6 0 47.88 1.900 4 4.84 1 1 28.47 3.135 8 1.9 3 5 1 40.58 2.223 8 0.99 6 0 2 48.75 1.868 4 3.45 2 0 29.59 3.019 4 12.8 2 6 0 40.59 2.222 4 0.20 0 7 1 49.59 1.838 4 5.73 4 0 30.40 2.940 4 8.6 3 2 2 41.54 2.174 8 1.7 6 5 1 49.80 1.831 8 1.83 3 1 30.81 2.902 8 14.1 6 4 0 41.54 2.174 4 0.43 4 4 2 49.88 1.828 8 1.96 0 0 32.01 2.796 2 5.1 6 3 1 41.85 2.158 8 7.2 1 7 1 49.91 1.827 8 0.715 1 1 32.75 2.735 8 10.4 4 0 2 41.94 2.154 4 0.22

CAS

Cs-A

luminosilicate

504030201002 theta (°)

60

50

40

30

20

10

0

CDO CDS-1



CRYSTAL DATA: Pnma (No. 62)a = 18.355 A b = 13.779 A c = 7.3674 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦

X-ray Rietveld refinement, Rp = 0.0284, Rwp = 0.0354

REFERENCE: T. Ikeda, Y. Akiyama, Y. Oumi, A. Kawai and F. Mizukami,Angew. Chem., Int. Ed. 43 4892-4896 (2004).


2 0 0 9.64 9.177 2 100.0 2 3 2 32.65 2.742 8 2.2 8 2 0 41.48 2.177 4 0.122 1 0 11.58 7.638 4 0.05 5 3 1 33.53 2.672 8 1.2 7 3 1 41.51 2.176 8 0.070 2 0 12.85 6.890 2 19.8 4 2 2 33.81 2.651 8 1.5 0 3 3 41.71 2.166 4 0.021 0 1 12.95 6.837 4 30.4 2 5 0 33.96 2.639 4 0.09 4 0 3 41.71 2.165 4 0.010 1 1 13.63 6.497 4 0.03 3 3 2 34.48 2.601 8 0.01 1 3 3 42.01 2.151 8 0.231 1 1 14.46 6.125 8 6.0 5 0 2 34.49 2.600 4 0.03 2 5 2 42.12 2.145 8 0.642 0 1 15.42 5.745 4 0.11 0 5 1 34.76 2.581 4 0.01 4 1 3 42.25 2.139 8 0.052 2 0 16.09 5.510 4 5.0 4 4 1 34.77 2.580 8 0.02 7 0 2 42.31 2.136 4 0.072 1 1 16.72 5.303 8 0.04 1 5 1 35.11 2.556 8 1.3 5 5 1 42.83 2.111 8 1.41 2 1 18.28 4.853 8 1.0 5 1 2 35.12 2.555 8 0.14 7 1 2 42.84 2.111 8 0.053 0 1 18.85 4.707 4 0.51 6 3 0 35.25 2.546 4 0.05 2 3 3 42.91 2.108 8 0.024 0 0 19.34 4.589 2 1.8 0 4 2 35.68 2.516 4 0.19 6 3 2 43.19 2.094 8 0.673 1 1 19.93 4.454 8 9.8 1 4 2 36.03 2.493 8 0.03 4 2 3 43.83 2.066 8 0.024 1 0 20.40 4.354 4 8.1 7 0 1 36.37 2.470 4 0.46 3 6 1 43.86 2.064 8 0.372 3 0 21.64 4.107 4 8.4 4 3 2 36.91 2.435 8 0.21 4 6 0 44.10 2.054 4 0.670 3 1 22.82 3.898 4 0.02 1 0 3 36.93 2.434 4 0.70 8 3 0 44.12 2.053 4 1.53 2 1 22.88 3.886 8 11.6 5 2 2 36.95 2.433 8 0.02 3 3 3 44.37 2.042 8 0.664 2 0 23.29 3.819 4 8.5 7 1 1 36.97 2.432 8 0.23 7 2 2 44.40 2.040 8 0.021 3 1 23.33 3.813 8 3.0 2 4 2 37.05 2.427 8 1.7 5 1 3 44.89 2.019 8 0.094 1 1 23.74 3.748 8 0.03 1 1 3 37.52 2.397 8 0.08 7 4 1 45.16 2.007 8 0.030 0 2 24.16 3.684 2 3.9 3 5 1 37.83 2.378 8 0.70 1 4 3 45.63 1.988 8 0.031 0 2 24.65 3.612 4 0.18 5 4 1 37.84 2.378 8 0.12 9 0 1 46.18 1.966 4 0.591 1 2 25.50 3.494 8 0.02 2 0 3 37.93 2.372 4 0.02 5 2 3 46.40 1.957 8 3.00 4 0 25.86 3.445 2 17.4 4 5 0 38.09 2.362 4 0.46 8 0 2 46.64 1.948 4 0.322 0 2 26.06 3.419 4 22.5 6 0 2 38.24 2.353 4 1.4 9 1 1 46.68 1.946 8 0.392 1 2 26.87 3.318 8 10.7 2 1 3 38.51 2.338 8 0.02 6 4 2 46.75 1.943 8 1.45 0 1 27.14 3.286 4 4.7 3 4 2 38.69 2.327 8 0.02 1 6 2 46.88 1.938 8 0.010 2 2 27.46 3.249 4 0.14 7 2 1 38.72 2.325 8 0.63 8 1 2 47.13 1.928 8 0.254 3 0 27.48 3.246 4 12.3 6 1 2 38.82 2.320 8 0.37 2 7 0 47.22 1.925 4 1.02 4 0 27.66 3.225 4 4.4 0 6 0 39.23 2.296 2 0.29 8 4 0 47.62 1.910 4 1.51 2 2 27.89 3.199 8 0.11 1 2 3 39.25 2.295 8 0.06 2 6 2 47.71 1.906 8 0.225 1 1 27.91 3.196 8 1.9 8 0 0 39.27 2.294 2 0.21 3 4 3 47.86 1.901 8 0.531 4 1 29.02 3.076 8 1.8 6 4 0 39.39 2.287 4 0.28 6 1 3 47.96 1.897 8 0.053 1 2 29.03 3.076 8 0.13 3 0 3 39.54 2.279 4 0.07 1 7 1 48.10 1.892 8 0.762 2 2 29.16 3.062 8 1.5 8 1 0 39.83 2.263 4 0.02 5 5 2 48.11 1.891 8 0.016 0 0 29.19 3.059 2 0.12 5 3 2 39.84 2.263 8 0.02 9 2 1 48.14 1.890 8 0.786 1 0 29.92 2.986 4 1.5 4 5 1 40.08 2.250 8 0.04 5 6 1 48.35 1.882 8 0.315 2 1 30.13 2.966 8 3.2 3 1 3 40.10 2.249 8 0.80 8 2 2 48.58 1.874 8 0.202 4 1 30.25 2.954 8 0.02 2 2 3 40.20 2.243 8 0.01 5 3 3 48.82 1.865 8 0.244 0 2 31.13 2.873 4 1.7 2 6 0 40.49 2.228 4 0.75 3 6 2 49.06 1.857 8 0.023 2 2 31.17 2.869 8 0.07 6 2 2 40.50 2.227 8 0.46 0 0 4 49.49 1.842 2 3.26 0 1 31.67 2.825 4 0.03 4 4 2 40.90 2.206 8 0.52 7 5 1 49.55 1.839 8 0.804 1 2 31.82 2.812 8 1.4 8 0 1 41.21 2.191 4 0.05 10 0 0 49.67 1.836 2 0.076 2 0 32.01 2.796 4 0.72 6 4 1 41.33 2.185 8 0.02 1 0 4 49.75 1.833 4 0.046 1 1 32.35 2.768 8 0.03 1 6 1 41.48 2.177 8 0.40 1 5 3 49.99 1.824 8 0.04

CD

OCD

S-1

504030201002 theta (°)

35

30

25

20

15

10

5

0

CDO MCM-65, calcined



CRYSTAL DATA: Cmcm (No. 63)a = 7.373 A b = 18.006 A c = 13.849 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦

X-ray Rietveld refinement, RF2 = 0.21, Rwp = 0.012

REFERENCE: D. L. Dorset and G. L. Kennedy,J. Phys. Chem. B 108 15216–15222 (2004).


0 2 0 9.82 9.003 2 100.0 0 6 2 32.52 2.754 4 0.16 1 7 3 42.04 2.149 8 0.050 2 1 11.72 7.548 4 0.08 0 4 4 32.63 2.744 4 0.16 0 8 2 42.22 2.141 4 0.030 0 2 12.78 6.925 2 19.3 2 2 3 32.64 2.744 8 1.5 1 5 5 42.98 2.104 8 2.41 1 0 12.97 6.823 4 44.1 1 5 3 33.83 2.650 8 0.67 2 6 3 43.55 2.078 8 0.681 1 1 14.47 6.121 8 3.9 0 2 5 33.86 2.647 4 0.02 0 4 6 44.09 2.054 4 0.280 2 2 16.15 5.489 4 10.4 2 4 2 33.99 2.637 8 2.4 3 3 3 44.40 2.040 8 0.531 1 2 18.25 4.860 8 0.60 1 1 5 34.96 2.566 8 3.4 0 6 5 44.51 2.035 4 0.011 3 0 19.07 4.655 4 0.17 2 0 4 35.57 2.524 4 0.77 3 5 0 44.64 2.030 4 0.290 4 0 19.72 4.502 2 3.8 3 1 0 36.91 2.435 4 0.35 0 8 3 44.80 2.023 4 2.21 3 1 20.12 4.412 8 16.7 2 2 4 36.99 2.430 8 2.1 3 5 1 45.14 2.009 8 0.010 4 1 20.75 4.281 4 12.1 1 7 0 37.01 2.429 4 1.1 1 7 4 45.63 1.988 8 0.110 2 3 21.63 4.108 4 12.8 2 4 3 37.05 2.426 8 0.11 2 4 5 45.66 1.987 8 0.111 3 2 23.02 3.863 8 15.2 3 1 1 37.50 2.398 8 1.2 2 0 6 46.41 1.956 4 0.041 1 3 23.26 3.823 8 5.1 1 7 1 37.60 2.392 8 0.01 3 5 2 46.62 1.948 8 4.40 4 2 23.57 3.774 4 9.5 1 3 5 37.79 2.380 8 1.2 0 2 7 47.03 1.932 4 0.612 0 0 24.14 3.687 2 4.5 1 5 4 38.06 2.364 8 0.28 2 6 4 47.05 1.932 8 1.60 0 4 25.73 3.462 2 17.1 0 4 5 38.15 2.359 4 0.56 1 9 0 47.06 1.931 4 0.232 2 0 26.12 3.412 4 24.3 2 6 0 38.69 2.327 4 1.4 2 8 0 47.32 1.921 4 0.172 2 1 26.91 3.313 8 12.3 3 1 2 39.22 2.297 8 0.18 1 9 1 47.55 1.912 8 0.121 3 3 27.21 3.278 8 0.15 2 6 1 39.25 2.295 8 0.41 2 2 6 47.56 1.912 8 0.062 0 2 27.41 3.254 4 0.62 1 7 2 39.31 2.292 8 1.1 2 8 1 47.80 1.903 8 0.191 5 0 27.57 3.236 4 3.1 3 3 0 39.63 2.274 4 0.77 3 3 4 47.85 1.901 8 0.030 2 4 27.60 3.232 4 3.6 0 6 4 39.75 2.268 4 1.4 1 1 7 47.87 1.900 8 0.420 4 3 27.68 3.223 4 15.6 0 8 0 40.06 2.251 2 0.21 0 8 4 48.22 1.887 4 1.61 5 1 28.32 3.151 8 1.4 3 3 1 40.18 2.244 8 0.55 1 5 6 48.44 1.879 8 0.011 1 4 28.92 3.088 8 2.3 0 2 6 40.34 2.236 4 1.6 1 9 2 48.97 1.860 8 0.652 2 2 29.18 3.060 8 1.4 0 8 1 40.61 2.222 4 0.30 3 5 3 49.02 1.858 8 0.200 6 0 29.77 3.001 2 0.07 2 6 2 40.91 2.206 8 0.25 2 8 2 49.22 1.851 8 0.120 6 1 30.48 2.933 4 0.79 2 4 4 41.00 2.201 8 0.43 4 0 0 49.45 1.843 2 2.91 5 2 30.49 2.932 8 2.5 1 1 6 41.29 2.186 8 1.0 0 6 6 49.84 1.830 4 0.202 4 0 31.36 2.852 4 1.1 3 3 2 41.80 2.161 8 0.27 3 1 5 49.86 1.829 8 0.532 4 1 32.04 2.793 8 1.1 3 1 3 41.95 2.154 8 0.14 1 7 5 49.94 1.826 8 0.661 3 4 32.22 2.778 8 0.01 2 2 5 42.02 2.150 8 0.82

CD

OM

CM

-65,calcined

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

CDO UZM-25, calcined





REFERENCE: L. M. Knight and G. J. Lewis,Private communication (2004).


0 2 0 9.61 9.200 2 100.0 1 3 4 32.22 2.778 8 0.02 3 1 3 41.84 2.159 8 0.340 2 1 11.58 7.645 4 0.11 2 2 3 32.57 2.749 8 2.0 2 2 5 42.10 2.146 8 0.611 1 0 12.88 6.874 4 33.3 1 5 3 33.50 2.675 8 1.2 1 5 5 42.85 2.111 8 1.50 0 2 12.89 6.870 2 17.8 2 4 2 33.69 2.660 8 1.7 2 6 3 43.08 2.100 8 0.641 1 1 14.41 6.147 8 7.0 0 2 5 34.05 2.633 4 0.05 1 3 6 43.94 2.061 8 0.280 2 2 16.10 5.505 4 6.6 1 1 5 35.17 2.552 8 1.4 0 8 3 44.06 2.055 4 1.71 1 2 18.26 4.859 8 0.99 2 0 4 35.64 2.519 4 0.25 0 4 6 44.18 2.050 4 0.501 3 0 18.78 4.725 4 0.92 1 7 0 36.26 2.477 4 0.57 3 3 3 44.20 2.049 8 0.690 4 0 19.30 4.600 2 2.3 3 1 0 36.71 2.448 4 0.79 3 5 1 44.67 2.028 8 0.291 3 1 19.87 4.468 8 12.2 2 4 3 36.81 2.441 8 0.13 1 7 4 45.12 2.009 8 0.060 4 1 20.36 4.362 4 9.4 1 7 1 36.87 2.438 8 0.29 3 1 4 45.50 1.994 8 0.060 2 3 21.67 4.100 4 8.7 2 2 4 37.00 2.430 8 1.7 1 9 0 46.05 1.971 4 0.561 3 2 22.84 3.893 8 12.1 3 1 1 37.31 2.410 8 0.07 3 5 2 46.19 1.965 8 3.10 4 2 23.27 3.822 4 8.5 1 5 4 37.83 2.378 8 0.14 2 8 0 46.47 1.954 4 0.271 1 3 23.34 3.811 8 3.8 1 3 5 37.87 2.375 8 0.99 1 9 1 46.55 1.951 8 0.412 0 0 24.02 3.705 2 4.1 2 6 0 38.09 2.362 4 1.6 2 0 6 46.63 1.948 4 0.022 2 0 25.92 3.437 4 23.9 0 4 5 38.15 2.359 4 0.53 2 6 4 46.66 1.946 8 1.40 0 4 25.94 3.435 2 17.8 1 7 2 38.63 2.330 8 0.84 2 8 1 46.97 1.935 8 0.262 2 1 26.74 3.334 8 11.8 2 6 1 38.67 2.328 8 0.43 0 2 7 47.35 1.920 4 1.11 5 0 27.05 3.296 4 5.4 3 1 2 39.06 2.306 8 0.05 0 8 4 47.58 1.911 4 1.62 0 2 27.35 3.261 4 0.08 0 8 0 39.17 2.300 2 0.21 3 3 4 47.71 1.906 8 0.610 4 3 27.48 3.246 4 12.6 3 3 0 39.32 2.291 4 0.04 2 2 6 47.72 1.906 8 0.190 2 4 27.72 3.218 4 4.4 0 0 6 39.34 2.290 2 0.19 1 9 2 48.03 1.894 8 0.771 5 1 27.84 3.205 8 2.2 0 6 4 39.39 2.288 4 0.34 1 1 7 48.21 1.887 8 0.822 2 2 29.05 3.074 8 1.2 0 8 1 39.73 2.268 4 0.05 1 5 6 48.40 1.881 8 0.181 1 4 29.06 3.073 8 2.0 3 3 1 39.89 2.260 8 0.71 2 8 2 48.43 1.880 8 0.300 6 0 29.12 3.067 2 0.12 2 6 2 40.37 2.234 8 0.23 3 5 3 48.64 1.872 8 0.240 6 1 29.85 2.993 4 1.4 0 2 6 40.60 2.222 4 0.76 4 0 0 49.18 1.852 2 3.11 5 2 30.07 2.972 8 2.7 2 4 4 40.84 2.209 8 0.52 1 7 5 49.54 1.840 8 0.742 4 0 30.99 2.885 4 1.5 0 8 2 41.40 2.181 4 0.09 0 10 0 49.54 1.840 2 0.022 4 1 31.69 2.824 8 1.4 1 7 3 41.44 2.179 8 0.04 0 6 6 49.69 1.835 4 0.010 6 2 31.96 2.800 4 0.59 1 1 6 41.57 2.173 8 0.37 3 1 5 49.89 1.828 8 0.03

CD

OU

ZM

-25,calcined

504030201002 theta (°)

60

50

40

30

20

10

0

CFI CIT-5



CRYSTAL DATA: Imma (No. 74)a = 13.695 A b = 5.021 A c = 25.497 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: P. Wagner, M. Yoshikawa, M. Lavallo, K. Tsuji, M. Tsapatsis andM. E. Davis, J. Chem. Soc., Chem. Commun. 2179–2180 (1997).


0 0 2 6.93 12.748 2 84.1 2 1 7 33.08 2.708 8 1.3 3 2 3 42.45 2.130 8 0.031 0 1 7.33 12.065 4 100.0 4 1 3 33.38 2.684 8 0.15 0 0 12 42.55 2.125 2 0.061 0 3 12.26 7.221 4 5.7 4 0 6 33.61 2.666 4 0.24 0 1 11 42.98 2.104 4 0.212 0 0 12.93 6.847 2 5.1 3 1 6 33.90 2.644 8 0.57 5 1 6 43.23 2.093 8 0.130 0 4 13.89 6.374 2 2.5 1 1 8 33.95 2.640 8 0.25 6 1 1 43.71 2.071 8 0.302 0 2 14.68 6.032 4 0.02 5 0 3 34.40 2.607 4 0.20 3 0 11 43.80 2.067 4 0.040 1 1 18.01 4.926 4 0.30 0 0 10 35.20 2.550 2 0.08 2 2 6 43.93 2.061 8 0.041 0 5 18.57 4.779 4 0.70 0 2 0 35.77 2.510 2 6.0 4 0 10 44.29 2.045 4 0.022 0 4 19.02 4.666 4 19.9 4 1 5 36.32 2.474 8 0.92 1 2 7 44.32 2.044 8 0.163 0 1 19.76 4.494 4 3.5 0 1 9 36.41 2.467 4 2.2 3 1 10 44.52 2.035 8 0.191 1 2 20.08 4.422 8 27.7 0 2 2 36.48 2.463 4 0.44 2 0 12 44.65 2.029 4 1.00 1 3 20.54 4.323 4 21.7 1 2 1 36.56 2.458 8 1.6 4 2 0 44.76 2.025 4 0.010 0 6 20.90 4.249 2 8.1 5 0 5 37.26 2.413 4 1.0 3 2 5 44.87 2.020 8 0.213 0 3 22.10 4.022 4 1.3 2 0 10 37.64 2.389 4 0.11 2 1 11 45.07 2.012 8 0.362 1 1 22.23 3.999 8 0.04 1 2 3 37.94 2.371 8 0.10 6 0 6 45.09 2.011 4 1.31 1 4 23.47 3.790 8 3.3 5 1 2 38.08 2.363 8 1.0 4 1 9 45.30 2.002 8 0.242 1 3 24.35 3.655 8 1.8 2 2 0 38.18 2.357 4 0.01 4 2 2 45.36 1.999 8 0.642 0 6 24.66 3.611 4 6.9 0 2 4 38.54 2.336 4 0.08 0 2 8 46.02 1.972 4 0.390 1 5 24.89 3.578 4 0.34 4 0 8 38.59 2.333 4 0.02 5 0 9 46.09 1.969 4 0.251 0 7 25.30 3.520 4 0.09 2 1 9 38.79 2.321 8 0.52 7 0 1 46.56 1.951 4 0.094 0 0 26.02 3.424 2 2.9 3 1 8 38.85 2.318 8 1.5 1 0 13 46.79 1.941 4 0.053 0 5 26.20 3.401 4 1.8 2 2 2 38.85 2.318 8 0.01 1 1 12 46.90 1.937 8 0.074 0 2 26.96 3.307 4 12.2 1 0 11 39.43 2.285 4 0.57 4 2 4 47.10 1.930 8 0.073 1 2 27.31 3.265 8 4.8 6 0 0 39.48 2.283 2 0.02 5 1 8 47.36 1.920 8 0.840 0 8 27.99 3.187 2 1.6 5 1 4 40.08 2.250 8 0.35 7 0 3 47.70 1.907 4 0.022 1 5 28.14 3.171 8 1.9 6 0 2 40.13 2.247 4 0.02 2 2 8 48.01 1.895 8 0.151 1 6 28.27 3.156 8 9.1 1 1 10 40.21 2.243 8 0.10 3 2 7 48.33 1.883 8 0.460 1 7 30.31 2.948 4 0.87 4 1 7 40.37 2.234 8 0.28 1 2 9 48.93 1.861 8 0.272 0 8 30.95 2.889 4 0.20 2 2 4 40.82 2.211 8 0.37 6 0 8 49.09 1.856 4 0.413 0 7 31.42 2.847 4 1.8 3 2 1 41.19 2.192 8 0.64 4 2 6 49.89 1.828 8 0.634 1 1 31.83 2.811 8 0.64 5 0 7 41.24 2.189 4 0.05 0 1 13 49.92 1.827 4 0.021 0 9 32.27 2.774 4 0.01 0 2 6 41.79 2.161 4 0.20 7 0 5 49.93 1.827 4 0.535 0 1 32.89 2.723 4 0.02 6 0 4 42.05 2.149 4 0.10

CFI

CIT

-5

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

CGF Cobalt Gallium Phosphate-5

CHEMICAL COMPOSITION: |(C6H14N2)8| [(Co16Ga20P36O144]C6H12N2 = 1,4-diazabicyclo[2.2.2]-octane (DABCO)

REFINED COMPOSITION: |C48N16| [Co16Ga20P36O144]

CRYSTAL DATA: I1 2/a 1 (No. 15; unique axis b, cell choice 3)a = 15.002 A b = 17.688 A c = 15.751 Aα = 90◦ β = 97.24◦ γ = 90◦


REFERENCE: A. M. Chippindale and A. R. Cowley,Zeolites 18 176–181 (1997).


0 2 0 10.00 8.844 2 100.0 -2 5 1 28.20 3.164 4 0.97 -4 0 6 39.66 2.272 2 1.30 0 2 11.33 7.813 2 20.7 -4 3 1 28.33 3.150 4 3.1 -4 6 2 39.81 2.264 4 1.92 0 0 11.89 7.441 2 2.7 1 5 2 28.64 3.116 4 0.84 6 3 1 40.53 2.225 4 2.8

-2 1 1 13.48 6.568 4 4.8 2 5 1 28.82 3.097 4 2.2 4 5 3 40.55 2.225 4 0.532 2 0 15.56 5.694 4 12.4 2 2 4 28.94 3.085 4 16.3 6 2 2 40.83 2.210 4 1.20 3 1 16.07 5.516 4 7.9 0 5 3 30.55 2.926 4 3.1 -4 2 6 41.01 2.201 4 0.622 0 2 17.46 5.078 2 3.6 -3 4 3 30.83 2.900 4 1.5 -2 1 7 41.04 2.199 4 0.470 1 3 17.75 4.996 4 2.8 3 1 4 31.29 2.859 4 0.77 -6 3 3 41.24 2.189 4 0.54

-2 2 2 18.37 4.828 4 12.0 1 6 1 31.60 2.831 4 0.80 6 4 0 41.75 2.163 4 0.683 1 0 18.58 4.776 4 0.66 -4 3 3 31.61 2.830 4 2.1 -6 2 4 41.87 2.157 4 1.7

-1 3 2 19.34 4.588 4 0.48 4 1 3 31.67 2.825 4 2.6 3 7 2 42.41 2.131 4 0.53-2 3 1 19.60 4.529 4 13.2 -2 5 3 32.06 2.792 4 10.1 0 8 2 42.49 2.127 4 0.93-1 2 3 20.03 4.432 4 0.85 0 3 5 32.42 2.761 4 4.3 2 4 6 43.36 2.087 4 2.0-2 1 3 20.17 4.402 4 8.7 0 6 2 32.46 2.758 4 2.7 1 7 4 43.49 2.081 4 0.621 3 2 20.22 4.392 4 0.95 2 6 0 32.67 2.741 4 10.3 -5 1 6 43.49 2.081 4 1.22 3 1 20.46 4.340 4 15.7 -4 2 4 32.68 2.740 4 0.65 -2 3 7 43.63 2.075 4 0.61

-1 4 1 21.52 4.129 4 3.2 2 1 5 32.84 2.727 4 5.2 -4 6 4 43.94 2.061 4 2.23 2 1 21.91 4.057 4 2.6 5 1 2 33.93 2.642 4 0.79 2 1 7 44.10 2.054 4 1.11 4 1 21.92 4.054 4 1.8 2 4 4 33.95 2.641 4 1.5 4 7 1 44.11 2.053 4 1.42 1 3 22.60 3.934 4 20.1 -1 5 4 34.22 2.621 4 1.0 -5 4 5 44.31 2.044 4 0.820 0 4 22.76 3.906 2 6.3 3 3 4 34.50 2.600 4 0.62 4 0 6 44.93 2.017 2 0.730 3 3 22.78 3.903 4 3.8 -1 1 6 34.58 2.594 4 0.60 6 3 3 45.12 2.009 4 1.43 1 2 22.97 3.872 4 0.84 4 3 3 34.85 2.574 4 0.90 -4 7 3 45.60 1.989 4 0.650 4 2 23.11 3.848 4 41.4 -4 5 1 34.97 2.566 4 3.2 -6 4 4 45.65 1.987 4 0.80

-1 1 4 23.35 3.809 4 4.2 -2 0 6 35.04 2.561 2 0.59 -5 3 6 45.97 1.974 4 0.50-2 0 4 24.36 3.653 2 0.77 2 6 2 35.20 2.550 4 5.9 4 2 6 46.15 1.967 4 0.64-4 1 1 24.41 3.647 4 0.77 -4 1 5 35.47 2.531 4 1.4 0 0 8 46.49 1.953 2 0.73-2 3 3 24.73 3.599 4 6.3 2 3 5 35.93 2.500 4 2.6 2 3 7 46.55 1.951 4 3.10 2 4 24.92 3.573 4 1.3 0 2 6 35.95 2.498 4 0.66 0 9 1 46.57 1.950 4 0.63

-4 0 2 25.18 3.537 2 36.0 -6 1 1 36.31 2.474 4 3.0 -2 7 5 46.88 1.938 4 0.93-2 4 2 25.39 3.508 4 5.8 -2 2 6 36.53 2.460 4 2.4 -7 4 1 47.12 1.928 4 0.690 5 1 25.82 3.450 4 1.3 -4 4 4 37.24 2.414 4 1.8 0 8 4 47.24 1.924 4 0.894 2 0 25.98 3.429 4 7.6 6 2 0 37.66 2.388 4 0.78 -6 0 6 47.32 1.921 2 1.0

-2 2 4 26.39 3.377 4 1.6 6 1 1 37.78 2.381 4 1.9 -4 3 7 47.35 1.920 4 2.4-1 4 3 26.63 3.347 4 1.6 2 0 6 38.02 2.367 2 0.74 4 5 5 47.80 1.903 4 1.82 4 2 26.73 3.335 4 2.4 -6 2 2 38.04 2.366 4 1.7 6 6 0 47.93 1.898 4 0.982 3 3 26.77 3.330 4 8.0 -4 3 5 38.37 2.346 4 1.2 -1 9 2 47.93 1.898 4 0.572 0 4 27.08 3.292 2 14.8 0 5 5 38.43 2.342 4 5.6 4 7 3 48.03 1.894 4 0.523 3 2 27.09 3.292 4 0.98 -3 6 3 38.49 2.339 4 1.1 -6 6 2 48.24 1.887 4 1.1

-3 4 1 27.14 3.286 4 0.48 4 6 0 38.98 2.311 4 1.1 1 9 2 48.33 1.883 4 0.60-4 2 2 27.15 3.284 4 20.4 -6 3 1 39.15 2.301 4 1.3 -2 5 7 48.47 1.878 4 1.5-1 3 4 27.41 3.253 4 0.74 -2 6 4 39.27 2.294 4 1.2 3 5 6 48.83 1.865 4 0.724 0 2 27.83 3.206 2 1.8 2 2 6 39.41 2.286 4 1.8 0 9 3 49.57 1.839 4 1.23 4 1 28.09 3.176 4 1.0 6 0 2 39.48 2.283 2 2.6 5 1 6 49.60 1.838 4 0.51

-4 1 3 28.12 3.174 4 5.2 0 7 3 39.64 2.273 4 1.5 6 5 3 49.85 1.829 4 1.5

CG

FCobalt

Gallium

Phosphate-5

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

CGS Cobalt Gallium Phosphate-6

CHEMICAL COMPOSITION: |(C7H14N)4| [Co4Ga12P16O64]C7H13N = quinuclidine


CRYSTAL DATA: P1 21/c 1 (No. 14; unique axis b, cell choice 1)a = 14.365 A b = 16.305 A c = 8.734 Aα = 90◦ β = 90.243◦ γ = 90◦

X-ray single crystal refinement. R = 0.0310, Rw = 0.0365

REFERENCE: A. R. Cowley and A. M. Chippindale,Microporous and Mesoporous Materials 28 163–172 (1999).


1 1 0 8.20 10.779 4 100.0 -4 1 1 27.36 3.259 4 3.5 4 3 2 36.43 2.467 4 2.30 2 0 10.85 8.153 2 8.1 3 0 2 27.71 3.220 2 10.0 -2 5 2 36.56 2.457 4 4.20 1 1 11.49 7.699 4 89.0 -3 1 2 28.13 3.172 4 3.5 2 5 2 36.63 2.453 4 1.42 0 0 12.32 7.182 2 67.4 -2 3 2 28.99 3.080 4 23.1 5 0 2 37.55 2.395 2 3.5

-1 1 1 13.03 6.796 4 22.9 -4 2 1 28.99 3.080 4 19.7 5 1 2 37.96 2.370 4 1.71 1 1 13.07 6.775 4 29.9 2 3 2 29.06 3.072 4 13.9 6 1 0 37.99 2.369 4 2.40 2 1 14.86 5.960 4 10.2 4 2 1 29.07 3.072 4 15.1 -4 5 1 38.67 2.329 4 1.82 2 0 16.45 5.389 4 71.6 0 5 1 29.23 3.055 4 5.1 4 5 1 38.72 2.325 4 1.4

-2 1 1 16.85 5.262 4 15.8 2 5 0 30.10 2.969 4 3.0 -5 2 2 39.05 2.307 4 8.32 1 1 16.91 5.242 4 19.4 -3 4 1 30.54 2.927 4 10.4 1 7 0 39.18 2.299 4 2.80 3 1 19.23 4.614 4 36.5 3 4 1 30.59 2.922 4 3.4 5 2 2 39.20 2.298 4 10.13 1 0 19.32 4.594 4 29.7 -1 4 2 30.62 2.919 4 5.3 4 4 2 39.35 2.290 4 4.0

-2 2 1 19.33 4.593 4 47.0 1 4 2 30.66 2.916 4 8.8 -3 6 1 39.48 2.283 4 1.82 2 1 19.38 4.580 4 31.7 0 1 3 31.21 2.866 4 6.4 1 6 2 39.57 2.277 4 3.2

-1 3 1 20.20 4.396 4 2.5 -4 3 1 31.53 2.837 4 7.3 3 3 3 39.92 2.258 4 3.31 3 1 20.23 4.391 4 8.5 4 3 1 31.60 2.831 4 13.7 -2 4 3 40.03 2.252 4 1.30 0 2 20.34 4.367 2 7.8 5 1 0 31.62 2.829 4 4.8 -4 1 3 40.17 2.245 4 2.30 1 2 21.06 4.218 4 2.0 -1 1 3 31.81 2.813 4 3.2 0 5 3 41.58 2.172 4 2.3

-1 0 2 21.24 4.183 2 3.0 -2 5 1 31.81 2.813 4 5.3 1 0 4 41.87 2.157 2 2.21 0 2 21.29 4.173 2 1.9 2 5 1 31.85 2.810 4 3.5 5 5 0 41.91 2.156 4 5.03 2 0 21.52 4.129 4 2.9 1 1 3 31.86 2.808 4 2.7 2 7 1 42.09 2.147 4 3.10 4 0 21.80 4.076 2 2.4 -4 0 2 32.20 2.780 2 2.8 5 5 1 43.26 2.091 4 2.7

-3 1 1 21.82 4.073 4 6.1 2 4 2 32.57 2.750 4 4.3 -1 2 4 43.33 2.088 4 1.43 1 1 21.90 4.059 4 18.1 0 2 3 32.66 2.742 4 6.7 -3 6 2 43.50 2.080 4 2.4

-1 1 2 21.94 4.052 4 14.9 -4 1 2 32.68 2.740 4 1.6 2 1 4 43.74 2.070 4 2.51 4 0 22.67 3.921 4 7.4 4 1 2 32.82 2.729 4 1.3 5 4 2 43.83 2.065 4 1.42 3 1 22.93 3.878 4 21.6 3 5 0 33.24 2.695 4 5.6 6 2 2 44.65 2.030 4 1.90 2 2 23.10 3.849 4 16.8 -5 1 1 33.24 2.695 4 3.6 -2 2 4 44.73 2.026 4 2.1

-2 0 2 23.80 3.738 2 4.7 4 4 0 33.25 2.695 4 1.7 0 6 3 45.67 1.987 4 2.6-3 2 1 23.80 3.738 4 18.3 1 2 3 33.29 2.691 4 7.4 0 8 1 45.71 1.985 4 4.83 2 1 23.87 3.727 4 7.8 1 6 0 33.56 2.670 4 1.5 -2 3 4 46.52 1.952 4 1.6

-1 2 2 23.91 3.722 4 6.5 2 1 3 33.72 2.658 4 2.3 2 3 4 46.62 1.948 4 1.71 2 2 23.95 3.715 4 4.5 -4 2 2 34.08 2.631 4 9.9 -7 2 1 46.78 1.942 4 2.1

-2 1 2 24.43 3.644 4 1.4 0 5 2 34.32 2.613 4 29.9 7 2 1 46.86 1.939 4 1.42 1 2 24.52 3.631 4 9.7 -5 2 1 34.62 2.591 4 5.1 5 6 1 47.23 1.924 4 1.64 0 0 24.79 3.591 2 1.6 4 4 1 34.87 2.573 4 1.4 7 3 0 47.35 1.920 4 3.3

-1 4 1 24.88 3.579 4 8.1 0 3 3 34.96 2.566 4 2.3 -5 3 3 47.41 1.917 4 3.11 4 1 24.90 3.576 4 32.1 -2 2 3 34.98 2.565 4 3.1 -4 7 1 47.66 1.908 4 2.24 1 0 25.40 3.507 4 1.6 2 2 3 35.08 2.558 4 5.6 4 7 1 47.71 1.906 4 1.30 3 2 26.18 3.404 4 38.6 -1 6 1 35.14 2.554 4 5.9 -3 7 2 48.15 1.890 4 3.8

-2 2 2 26.22 3.398 4 1.7 1 6 1 35.15 2.553 4 3.0 -6 4 2 48.72 1.869 4 1.8-3 3 1 26.80 3.326 4 1.7 5 3 0 35.34 2.540 4 4.0 -7 0 2 48.96 1.860 2 1.9-2 4 1 27.13 3.287 4 1.7 -3 4 2 35.43 2.533 4 2.6 2 4 4 49.04 1.857 4 1.34 2 0 27.13 3.286 4 18.2 -1 3 3 35.51 2.528 4 1.9 4 1 4 49.25 1.850 4 2.62 4 1 27.17 3.282 4 4.8 -4 3 2 36.30 2.475 4 3.3 6 1 3 49.72 1.834 4 2.1

CG

SCobalt

Gallium

Phosphate-6

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

CHA Chabazite, K-exchanged

CHEMICAL COMPOSITION: |K3.2Na0.75(H2O)8.4| [Si8.2Al3.8O24]North East Azerbaijan, Iran

REFINED COMPOSITION: |K4.16(H2O)7.23| [Si8.16Al3.84O24]

CRYSTAL DATA: R3m (No. 166; rhombohedral setting)a = 9.459 A b = 9.459 A c = 9.459 Aα = 94.07◦ β = 94.07◦ γ = 94.07◦


REFERENCE: M. Calligaris, G. Nardin and L. Randaccio,Zeolites 3 205–208 (1983).


1 0 0 9.40 9.408 6 100.0 2 2 -2 32.11 2.788 6 3.0 3 3 -1 42.38 2.133 6 0.251 0 -1 12.79 6.922 6 15.7 3 1 1 33.08 2.708 6 5.5 4 -1 -2 42.40 2.132 12 0.041 1 0 13.81 6.412 6 1.3 3 0 -2 33.10 2.706 12 2.0 4 1 -2 43.09 2.099 12 4.01 1 -1 15.90 5.575 6 6.5 3 -1 -2 34.27 2.616 12 11.4 3 2 -3 43.70 2.071 12 3.01 1 1 17.53 5.059 2 12.7 3 1 -2 34.69 2.586 12 4.0 4 2 0 44.36 2.042 12 0.032 0 0 18.87 4.704 6 8.1 2 2 2 35.49 2.529 2 0.05 3 3 1 44.43 2.039 6 1.22 0 -1 20.45 4.342 12 41.3 3 2 0 35.60 2.522 12 10.8 4 2 -1 44.45 2.038 12 0.712 1 0 21.76 4.084 12 0.07 3 2 1 37.87 2.376 12 0.86 3 3 -2 44.71 2.027 6 0.202 -1 -1 22.24 3.996 6 5.3 2 2 -3 37.99 2.368 6 0.95 4 -2 -2 45.39 1.998 6 0.042 1 -1 22.86 3.890 12 23.4 4 0 0 38.27 2.352 6 0.01 4 2 1 46.43 1.956 12 1.02 1 1 24.61 3.617 6 18.7 3 2 -2 38.75 2.324 12 2.9 4 0 -3 46.46 1.955 12 0.262 0 -2 25.74 3.461 6 3.7 4 0 -1 38.75 2.324 12 0.31 4 2 -2 46.69 1.945 12 0.382 1 -2 27.46 3.248 12 4.8 3 0 -3 39.04 2.307 6 3.3 4 -1 -3 47.35 1.920 12 2.02 2 0 27.83 3.206 6 7.1 4 -1 -1 39.41 2.286 6 0.17 4 1 -3 47.67 1.908 12 0.222 2 -1 28.46 3.136 6 0.23 4 1 0 40.23 2.242 12 0.16 5 0 0 48.37 1.882 6 4.43 0 0 28.46 3.136 6 2.9 3 1 -3 40.24 2.241 12 0.13 3 3 2 48.59 1.874 6 1.83 0 -1 29.32 3.046 12 1.5 4 1 -1 40.51 2.227 12 0.11 5 0 -1 48.62 1.873 12 0.192 2 1 30.38 2.942 6 3.4 4 0 -2 41.60 2.171 12 1.5 5 -1 -1 49.01 1.858 6 0.023 -1 -1 30.40 2.940 6 52.6 4 1 1 42.29 2.137 6 0.93 3 3 -3 49.01 1.858 6 0.443 1 0 30.73 2.909 12 31.0 3 3 0 42.29 2.137 6 0.023 1 -1 31.31 2.856 12 0.68 3 2 2 42.37 2.133 6 0.12

CH

AChabazite,

K-exchanged

504030201002 theta (°)

60

50

40

30

20

10

0

CHA Methylbutylamine SAPO–47

CHEMICAL COMPOSITION: |(C5H12NH2)1.4(H2O)2.5| [Al6.0Si1.4P4.6O24]C5H12NH2 = methylbutylamine

REFINED COMPOSITION: |(C5N)2.06| [Al5.47P5.37O24]

CRYSTAL DATA: R3 (No. 148; rhombohedral setting)a = 9.3834 A b = 9.3834 A c = 9.3834 Aα = 94.085◦ β = 94.085◦ γ = 94.085◦


REFERENCE: J. J. Pluth and J. V. Smith,J. Phys. Chem. 93 6516–6520 (1989).


1 0 0 9.48 9.332 6 100.0 3 0 -2 33.37 2.685 6 0.79 4 1 1 42.65 2.120 6 0.911 0 -1 12.89 6.867 6 34.9 3 -2 0 33.37 2.685 6 0.38 3 2 2 42.74 2.116 6 0.311 0 1 13.93 6.359 6 2.4 3 -2 -1 34.56 2.596 6 2.1 3 -1 3 42.74 2.115 6 0.861 -1 1 16.02 5.531 6 14.6 3 -1 -2 34.56 2.596 6 3.3 4 -2 -1 42.75 2.115 6 0.311 1 1 17.68 5.017 2 8.9 3 -2 1 34.98 2.565 6 0.27 4 -1 -2 42.75 2.115 6 0.122 0 0 19.02 4.666 6 0.34 1 -2 3 34.98 2.565 6 0.87 4 -2 1 43.45 2.083 6 1.02 -1 0 20.62 4.308 6 45.3 2 2 2 35.80 2.508 2 0.02 4 1 -2 43.45 2.083 6 1.52 0 -1 20.62 4.308 6 23.7 3 0 2 35.90 2.501 6 2.5 3 -3 2 44.06 2.055 6 0.302 1 0 21.94 4.051 6 3.7 2 0 3 35.90 2.501 6 1.8 2 -3 3 44.06 2.055 6 0.112 0 1 21.94 4.051 6 0.43 2 -1 3 36.21 2.481 6 0.04 4 0 2 44.74 2.025 6 0.192 -1 -1 22.42 3.965 6 3.0 3 -1 2 36.21 2.481 6 0.05 3 1 3 44.82 2.022 6 0.111 -1 2 23.04 3.859 6 0.43 3 1 2 38.20 2.356 6 0.10 4 -1 2 44.83 2.022 6 0.052 -1 1 23.04 3.859 6 7.0 3 2 1 38.20 2.356 6 0.16 2 -1 4 44.83 2.022 6 0.022 1 1 24.82 3.587 6 26.9 2 -3 2 38.30 2.350 6 0.40 3 -2 3 45.09 2.011 6 0.612 0 -2 25.95 3.434 6 9.7 4 0 0 38.59 2.333 6 0.98 4 -2 -2 45.77 1.982 6 0.222 -2 1 27.68 3.222 6 1.7 3 -2 2 39.07 2.305 6 0.22 4 2 1 46.84 1.940 6 0.101 -2 2 27.68 3.222 6 0.79 4 -1 0 39.07 2.305 6 0.09 4 1 2 46.84 1.940 6 0.172 0 2 28.06 3.180 6 3.1 2 -2 3 39.07 2.305 6 0.19 4 0 -3 46.85 1.939 6 0.302 -1 2 28.70 3.111 6 0.03 4 0 -1 39.07 2.305 6 0.15 4 -3 0 46.85 1.939 6 0.643 0 -1 29.56 3.021 6 1.7 3 0 -3 39.36 2.289 6 0.66 4 -2 2 47.09 1.930 6 0.083 -1 0 29.56 3.021 6 0.60 4 -1 -1 39.74 2.268 6 2.7 2 -2 4 47.09 1.930 6 0.122 1 2 30.64 2.918 6 7.9 4 0 1 40.57 2.224 6 0.08 4 -3 -1 47.75 1.905 6 1.23 -1 -1 30.65 2.917 6 24.9 1 -3 3 40.58 2.223 6 0.04 4 -1 -3 47.75 1.905 6 2.23 1 0 30.99 2.885 6 5.3 3 -3 1 40.58 2.223 6 0.08 1 -3 4 48.07 1.893 6 0.113 0 1 30.99 2.885 6 4.6 4 1 -1 40.85 2.209 6 0.23 4 -3 1 48.07 1.893 6 0.043 1 -1 31.57 2.834 6 1.5 4 -1 1 40.85 2.209 6 0.12 5 0 0 48.79 1.866 6 3.83 -1 1 31.57 2.834 6 0.75 4 -2 0 41.95 2.154 6 0.19 3 2 3 49.02 1.858 6 1.52 -2 2 32.37 2.766 6 1.6 4 0 -2 41.95 2.154 6 0.14 3 -3 3 49.43 1.844 6 0.023 1 1 33.36 2.686 6 2.9 3 0 3 42.65 2.120 6 1.1 5 -1 -1 49.43 1.844 6 0.04

CH

AM

ethylbutylamine

SAPO

–47

504030201002 theta (°)

70

60

50

40

30

20

10

0

-CHI Chiavennite

CHEMICAL COMPOSITION: |Ca4Mn4(H2O)8| [Si20(BeOH)8O52]Val di San Giacomo, Chiavenna, Italy

REFINED COMPOSITION: |Ca4Mn4(H2O)8| [Si20(BeOH)8O52]

CRYSTAL DATA: Pnab (No. 60; cba setting)a = 8.729 A b = 31.326 A c = 4.903 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: V. Tazzoli, M. C. Domeneghetti, F. Mazzi and E. CannilloEur. J. Mineral. 7 1339–1344 (1995).


0 2 0 5.64 15.663 2 100.0 2 10 0 35.27 2.545 4 0.09 4 4 0 43.03 2.102 4 0.500 4 0 11.30 7.832 2 20.6 3 6 0 35.31 2.542 4 1.1 1 13 1 43.09 2.099 8 0.011 2 0 11.61 7.625 4 6.7 1 10 1 35.53 2.527 8 6.1 2 3 2 43.20 2.094 8 1.11 4 0 15.20 5.829 4 24.3 2 8 1 35.84 2.505 8 4.9 1 7 2 43.34 2.088 8 0.100 6 0 16.98 5.221 2 0.07 1 12 0 35.91 2.501 4 0.57 0 8 2 43.56 2.078 4 1.80 1 1 18.31 4.844 4 4.8 3 1 1 36.01 2.494 8 2.9 2 4 2 43.91 2.062 8 3.51 6 0 19.81 4.481 4 2.2 3 2 1 36.36 2.471 8 0.87 2 12 1 44.46 2.038 8 0.040 3 1 20.01 4.438 4 2.7 0 11 1 36.49 2.463 4 1.2 3 9 1 44.60 2.032 8 1.02 0 0 20.35 4.365 2 3.3 0 0 2 36.66 2.451 2 0.22 2 5 2 44.80 2.023 8 0.761 1 1 20.97 4.236 8 1.9 3 3 1 36.94 2.433 8 0.42 1 8 2 44.84 2.021 8 0.832 2 0 21.13 4.204 4 0.12 0 2 2 37.12 2.422 4 0.44 4 6 0 45.02 2.013 4 1.11 2 1 21.55 4.124 8 20.9 3 4 1 37.74 2.384 8 2.3 4 0 1 45.49 1.994 4 0.481 3 1 22.47 3.956 8 20.7 2 9 1 37.81 2.379 8 7.1 2 14 0 45.56 1.991 4 0.100 8 0 22.71 3.916 2 34.8 1 1 2 38.24 2.354 8 0.65 4 1 1 45.59 1.990 8 1.80 5 1 23.03 3.861 4 0.61 0 4 2 38.48 2.340 4 6.8 1 14 1 45.77 1.982 8 0.302 4 0 23.33 3.812 4 20.4 3 8 0 38.55 2.335 4 1.3 2 6 2 45.87 1.978 8 6.51 4 1 23.71 3.752 8 1.1 1 2 2 38.58 2.334 8 0.61 4 2 1 45.88 1.978 8 0.681 8 0 24.92 3.573 4 0.67 3 5 1 38.75 2.324 8 0.01 4 3 1 46.36 1.958 8 1.31 5 1 25.22 3.531 8 0.75 1 3 2 39.13 2.302 8 2.2 0 16 0 46.38 1.958 2 0.682 6 0 26.62 3.349 4 1.0 1 4 2 39.89 2.260 8 0.61 3 10 1 46.45 1.955 8 2.61 6 1 26.96 3.308 8 0.21 2 10 1 39.91 2.259 8 3.4 1 9 2 46.49 1.953 8 0.300 7 1 26.97 3.305 4 4.1 3 6 1 39.95 2.256 8 3.9 3 12 0 46.75 1.943 4 0.052 0 1 27.36 3.260 4 30.6 2 12 0 40.25 2.240 4 0.24 2 13 1 46.88 1.938 8 4.62 1 1 27.51 3.242 8 5.4 0 14 0 40.31 2.238 2 0.30 4 4 1 47.03 1.932 8 3.32 2 1 27.95 3.192 8 10.6 1 12 1 40.49 2.228 8 5.1 0 10 2 47.07 1.931 4 4.80 10 0 28.49 3.133 2 1.0 0 6 2 40.66 2.219 4 0.10 2 7 2 47.12 1.929 8 0.962 3 1 28.69 3.112 8 8.8 1 5 2 40.86 2.209 8 0.73 0 15 1 47.31 1.921 4 0.481 7 1 28.88 3.091 8 0.02 3 7 1 41.34 2.184 8 0.19 1 16 0 47.60 1.910 4 0.062 4 1 29.68 3.010 8 3.2 4 0 0 41.37 2.182 2 1.4 4 8 0 47.71 1.906 4 0.251 10 0 30.31 2.948 4 7.7 1 14 0 41.67 2.167 4 1.5 4 5 1 47.88 1.900 8 0.042 8 0 30.67 2.915 4 0.58 0 13 1 41.77 2.163 4 3.7 1 10 2 48.28 1.885 8 0.422 5 1 30.92 2.892 8 43.9 4 2 0 41.79 2.161 4 3.9 3 11 1 48.42 1.880 8 0.143 2 0 31.27 2.861 4 2.5 1 6 2 42.01 2.151 8 0.10 1 15 1 48.51 1.876 8 1.90 9 1 31.52 2.838 4 8.5 2 11 1 42.13 2.145 8 0.08 2 8 2 48.52 1.876 8 0.472 6 1 32.38 2.765 8 1.3 2 0 2 42.28 2.137 4 2.0 3 1 2 48.65 1.871 8 0.263 4 0 32.84 2.728 4 0.24 2 1 2 42.39 2.132 8 0.06 4 6 1 48.90 1.863 8 0.891 9 1 33.19 2.699 8 3.4 3 10 0 42.40 2.132 4 0.02 3 2 2 48.93 1.861 8 0.092 7 1 34.02 2.635 8 15.7 2 2 2 42.69 2.118 8 0.06 3 3 2 49.39 1.845 8 0.090 12 0 34.35 2.610 2 1.4 3 8 1 42.89 2.108 8 3.4 2 14 1 49.40 1.845 8 0.80

-CH

IChiavennite

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

-CLO Cloverite

CHEMICAL COMPOSITION: |(C7H14N+)24|8 [F24Ga96P96O372(OH)24]8−

C7H14N = quinuclidinium

REFINED COMPOSITION: |F192| [Ga768P768O3168]

CRYSTAL DATA: Fm3c (No. 226)a = 51.7120 A b = 51.7120 A c = 51.7120 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: M. Estermann, L. B. McCusker, Ch. Baerlocher, A. Merrouche andH. Kessler, Nature 352 320–322 (1991).


2 0 0 3.42 25.856 6 100.0 10 10 2 24.59 3.621 24 0.66 16 10 4 33.42 2.681 48 0.382 2 0 4.83 18.283 12 15.7 12 8 0 24.83 3.586 24 0.77 18 6 4 33.60 2.667 48 0.122 2 2 5.92 14.928 8 11.8 14 4 0 25.07 3.552 24 0.26 18 8 0 34.15 2.625 24 0.224 0 0 6.84 12.928 6 8.6 12 8 2 25.07 3.552 48 0.16 16 10 6 34.33 2.612 48 0.144 2 0 7.65 11.563 24 1.2 12 6 6 25.31 3.519 24 1.7 14 14 0 34.33 2.612 12 0.294 2 2 8.38 10.556 24 5.2 12 8 4 25.78 3.455 48 0.14 18 8 2 34.33 2.612 48 0.164 4 0 9.67 9.141 12 18.4 14 4 4 26.02 3.425 24 0.82 15 11 7 34.47 2.602 48 0.566 0 0 10.26 8.619 6 15.3 10 8 8 26.02 3.425 24 0.31 15 13 3 34.83 2.576 48 0.216 2 0 10.82 8.176 24 0.35 14 6 2 26.48 3.366 48 0.40 16 12 2 34.87 2.573 48 0.126 2 2 11.35 7.796 24 1.2 10 10 6 26.48 3.366 24 0.19 14 12 8 34.87 2.573 48 1.64 4 4 11.86 7.464 8 13.7 12 10 2 27.16 3.284 48 0.24 14 14 4 35.05 2.560 24 0.196 4 0 12.34 7.171 24 3.0 14 8 0 27.82 3.207 24 0.30 16 12 4 35.40 2.535 48 0.446 4 2 12.81 6.910 48 1.4 10 10 8 28.04 3.183 24 0.49 19 7 3 35.53 2.526 48 0.608 0 0 13.70 6.464 6 1.0 14 8 2 28.04 3.183 48 0.15 16 10 8 35.58 2.523 48 0.618 2 0 14.12 6.271 24 2.9 16 4 0 28.47 3.136 24 0.42 18 10 0 35.75 2.511 24 0.136 4 4 14.12 6.271 24 1.5 12 8 8 28.47 3.136 24 0.94 14 12 10 36.44 2.465 48 0.208 2 2 14.53 6.094 24 0.60 16 4 2 28.68 3.113 48 0.15 16 14 2 37.12 2.422 48 0.266 6 0 14.53 6.094 12 0.39 14 8 4 28.68 3.113 48 2.5 16 10 10 37.12 2.422 24 0.238 4 4 16.80 5.278 24 0.17 12 10 6 28.89 3.090 48 0.19 18 10 6 37.29 2.411 48 0.288 6 0 17.15 5.171 24 0.25 12 12 0 29.31 3.047 12 0.39 20 8 0 37.46 2.401 24 0.228 6 2 17.49 5.071 48 0.71 16 6 0 29.52 3.026 24 0.26 14 12 12 38.29 2.351 24 0.166 6 6 17.82 4.976 8 0.45 14 8 6 29.72 3.006 48 0.18 22 0 0 38.29 2.351 6 0.48

10 4 0 18.48 4.801 24 1.3 14 10 0 29.72 3.006 24 0.31 18 12 4 38.29 2.351 48 0.1210 4 2 18.80 4.721 48 0.13 17 3 1 29.88 2.991 48 0.19 22 2 0 38.45 2.341 24 0.588 8 0 19.42 4.571 12 0.64 15 9 1 30.28 2.951 48 0.12 22 4 2 39.11 2.303 48 0.148 8 2 19.72 4.501 24 0.45 16 6 4 30.33 2.947 48 0.17 20 10 2 39.11 2.303 48 0.19

12 0 0 20.61 4.309 6 0.23 14 10 4 30.53 2.928 48 0.33 14 14 12 40.38 2.234 24 0.288 8 4 20.61 4.309 24 3.7 15 9 3 30.68 2.914 48 0.14 24 0 0 41.93 2.155 6 0.14

10 6 4 21.18 4.194 48 1.2 17 5 3 31.08 2.877 48 0.50 20 14 4 43.28 2.090 48 0.1311 5 3 21.39 4.154 48 0.51 12 12 6 31.13 2.873 24 0.24 18 16 8 44.46 2.038 48 0.259 7 5 21.39 4.154 48 0.14 16 8 2 31.13 2.873 48 0.56 18 18 0 44.60 2.031 12 0.12

12 4 0 21.74 4.088 24 0.42 18 4 0 31.91 2.804 24 0.38 16 16 12 44.89 2.019 24 0.148 8 6 22.01 4.038 24 0.72 14 12 0 31.91 2.804 24 0.20 20 16 2 45.04 2.013 48 0.19

10 8 0 22.01 4.038 24 1.3 12 10 10 32.10 2.788 24 0.14 20 14 8 45.04 2.013 48 0.2210 8 2 22.28 3.990 48 0.27 15 11 1 32.25 2.776 48 0.45 26 2 0 45.75 1.983 24 0.1511 7 1 22.48 3.955 48 0.29 12 12 8 32.48 2.756 24 0.37 26 4 2 46.32 1.960 48 0.1712 4 4 22.81 3.898 24 0.21 15 9 7 32.63 2.745 48 0.14 16 16 14 46.74 1.943 24 0.1311 7 3 23.01 3.865 48 0.42 15 11 3 32.63 2.745 48 0.42 26 6 0 46.88 1.938 24 0.1413 3 1 23.01 3.865 48 0.31 16 8 6 32.67 2.741 48 0.12 20 16 8 47.16 1.927 48 0.1712 6 0 23.07 3.854 24 0.20 18 4 4 32.67 2.741 24 0.37 18 16 12 47.30 1.922 48 0.2110 8 4 23.07 3.854 48 0.12 18 6 0 32.86 2.725 24 0.49 20 14 12 47.85 1.901 48 0.1512 6 2 23.33 3.812 48 0.19 16 10 2 32.86 2.725 48 0.95 22 14 8 47.99 1.896 48 0.1314 0 0 24.09 3.694 6 0.62 13 11 9 33.37 2.685 48 0.13 22 16 4 48.40 1.881 48 0.3110 10 0 24.34 3.657 12 0.36 19 3 1 33.37 2.685 48 0.36 22 14 10 49.21 1.852 48 0.1914 2 0 24.34 3.657 24 0.12 15 11 5 33.37 2.685 48 0.16 28 0 0 49.34 1.847 6 0.16

-CLO

Cloverite

504030201002 theta (°)

20

18

16

14

12

10

8

6

4

2

0

CON CIT-1



CRYSTAL DATA: C1 2/m 1 (No. 12; unique axis b, cell choice 1)a = 22.6242 A b = 13.3503 A c = 12.3642 Aα = 90◦ β = 68.913◦ γ = 90◦


REFERENCE: R. F. Lobo and M. E. Davis,J. Am. Chem. Soc. 117 3766–3779 (1994).


0 0 1 7.66 11.536 2 40.5 -4 0 2 26.68 3.341 2 2.0 9 1 3 37.65 2.389 4 0.381 1 0 7.84 11.283 4 100.0 0 4 0 26.71 3.338 2 6.6 5 1 5 37.70 2.386 4 0.212 0 0 8.38 10.555 2 3.3 6 0 3 27.52 3.241 2 0.16 -1 5 2 38.01 2.367 4 0.162 0 1 9.10 9.722 2 23.4 0 4 1 27.83 3.206 4 0.54 -4 4 2 38.11 2.361 4 0.281 1 1 9.85 8.975 4 0.78 6 2 2 27.91 3.197 4 1.1 1 1 5 38.28 2.351 4 0.11

-1 1 1 11.98 7.387 4 1.3 2 4 1 28.27 3.157 4 0.89 -3 1 4 38.35 2.347 4 0.20-2 0 1 13.25 6.681 2 8.0 7 1 1 28.56 3.125 4 0.63 -1 3 4 38.71 2.326 4 0.140 2 0 13.26 6.675 2 2.9 6 2 0 28.68 3.112 4 1.4 9 1 0 38.99 2.310 4 0.163 1 1 13.85 6.394 4 0.67 2 0 4 29.01 3.078 2 1.7 2 4 4 39.84 2.263 4 0.183 1 0 14.23 6.225 4 2.2 5 3 0 29.16 3.063 4 0.92 -6 4 1 39.89 2.260 4 0.182 0 2 14.61 6.062 2 1.8 5 3 2 29.23 3.056 4 1.1 7 3 4 40.12 2.248 4 0.150 2 1 15.34 5.778 4 0.98 4 0 4 29.47 3.031 2 0.27 1 5 3 40.47 2.229 4 0.200 0 2 15.36 5.768 2 1.4 -4 2 2 29.91 2.987 4 0.30 0 6 0 40.54 2.225 2 0.702 2 0 15.71 5.642 4 0.20 -2 4 1 29.93 2.986 4 1.2 6 2 5 40.59 2.223 4 0.194 0 1 15.75 5.625 2 1.7 7 1 0 30.39 2.941 4 0.13 -3 5 2 41.19 2.191 4 0.154 0 0 16.80 5.277 2 1.7 -2 2 3 30.55 2.926 4 0.89 10 2 2 42.17 2.143 4 0.14

-3 1 1 18.22 4.869 4 0.28 2 4 2 30.58 2.924 4 0.16 -8 0 2 42.49 2.127 2 0.314 0 2 18.25 4.861 2 0.72 6 2 3 30.67 2.915 4 0.53 4 0 6 43.94 2.061 2 1.3

-2 2 1 18.79 4.722 4 0.19 -3 3 2 30.78 2.905 4 1.1 8 2 5 43.96 2.060 4 0.112 2 2 19.78 4.488 4 1.4 -3 1 3 30.98 2.886 4 0.17 4 6 0 44.17 2.050 4 0.56

-2 0 2 20.02 4.435 2 0.14 4 4 1 31.16 2.870 4 0.73 7 5 2 44.27 2.046 4 0.150 2 2 20.35 4.364 4 0.41 5 1 4 31.35 2.853 4 0.26 11 1 2 44.59 2.032 4 0.111 3 0 20.39 4.354 4 10.8 4 4 0 31.72 2.821 4 0.73 9 1 5 44.60 2.032 4 0.214 2 1 20.65 4.302 4 0.18 8 0 2 31.81 2.813 2 0.25 -2 4 4 44.63 2.030 4 0.135 1 1 20.73 4.285 4 0.19 -5 3 1 32.13 2.785 4 0.36 3 1 6 44.68 2.028 4 0.114 2 0 21.46 4.140 4 2.7 -1 3 3 32.18 2.782 4 0.40 5 1 6 44.72 2.026 4 0.192 0 3 21.56 4.121 2 0.60 5 3 3 32.26 2.775 4 0.43 7 3 5 44.85 2.021 4 0.135 1 0 22.08 4.025 4 8.1 4 4 2 32.54 2.751 4 0.40 10 2 0 45.04 2.013 4 0.245 1 2 22.17 4.009 4 0.92 -4 0 3 33.41 2.682 2 1.0 7 5 0 45.37 1.999 4 0.284 2 2 22.63 3.929 4 0.12 -1 1 4 33.52 2.674 4 0.33 -1 3 5 45.85 1.979 4 0.111 1 3 22.95 3.874 4 2.0 8 0 3 33.57 2.669 2 0.76 -5 5 2 45.91 1.977 4 0.153 1 3 22.99 3.868 4 3.5 8 0 0 33.97 2.639 2 0.26 -3 1 5 46.10 1.969 4 0.320 0 3 23.13 3.845 2 5.0 -7 1 1 33.99 2.637 4 0.32 7 1 6 46.48 1.954 4 0.134 0 3 23.21 3.833 2 7.2 -4 4 1 34.14 2.626 4 0.28 10 0 5 46.72 1.944 2 0.203 3 0 23.66 3.761 4 0.21 -1 5 1 35.10 2.557 4 0.11 -9 1 2 47.29 1.922 4 0.41

-2 2 2 24.09 3.694 4 0.30 7 1 4 35.11 2.556 4 0.64 11 1 0 47.89 1.899 4 0.19-3 1 2 24.14 3.686 4 1.7 0 4 3 35.62 2.521 4 0.75 1 7 0 47.89 1.899 4 0.366 0 2 24.44 3.642 2 2.0 4 4 3 35.67 2.517 4 0.74 -8 0 3 48.35 1.883 2 0.11

-4 2 1 24.81 3.588 4 0.63 7 3 0 35.97 2.496 4 0.11 -10 2 1 48.51 1.877 4 0.166 0 0 25.31 3.518 2 0.93 3 5 0 35.97 2.496 4 0.52 10 2 5 48.78 1.867 4 0.192 2 3 25.40 3.507 4 1.2 4 0 5 36.46 2.464 2 0.26 11 3 2 48.79 1.866 4 0.223 3 2 25.67 3.471 4 0.32 8 2 0 36.62 2.454 4 0.40 9 3 5 48.80 1.866 4 0.21

-5 1 1 25.82 3.450 4 0.87 6 4 0 37.13 2.421 4 1.3 -4 6 2 49.20 1.852 4 0.125 1 3 25.98 3.430 4 0.23 3 5 2 37.38 2.406 4 0.29 3 7 0 49.52 1.841 4 0.11

-1 3 2 26.55 3.358 4 0.39 -5 1 3 37.48 2.400 4 0.20 6 6 3 49.70 1.834 4 0.16

CO

NCIT

-1

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

CZP Chiral Sodium Zincophosphate, P6122

CHEMICAL COMPOSITION: |Na12(H2O)12| [Zn12P12O48]

REFINED COMPOSITION: |Na6.06O9.12| [Zn12P12O48]



REFERENCE: W. T. A. Harrison, T. E. Gier, G. D. Stucky, R. W. Broach andR. A. Bedard, Chemistry of Materials 8 145–151 (1996).


1 0 0 9.75 9.076 6 18.7 2 2 0 34.22 2.620 6 13.4 3 0 5 42.30 2.137 12 0.061 0 1 11.38 7.777 12 100.0 1 1 5 34.29 2.615 12 0.05 1 0 7 43.13 2.097 12 0.031 0 2 15.27 5.802 12 21.7 3 0 3 34.60 2.592 12 1.7 3 1 4 43.21 2.094 24 1.41 1 0 16.92 5.240 6 9.6 2 2 1 34.75 2.581 12 0.42 3 2 0 43.46 2.082 12 0.561 1 1 17.92 4.950 12 0.02 2 1 4 35.37 2.538 24 1.5 4 0 3 43.77 2.068 12 1.42 0 0 19.56 4.538 6 0.23 3 1 0 35.67 2.517 12 0.73 3 2 1 43.90 2.063 24 2.61 0 3 20.18 4.399 12 0.63 0 0 6 35.70 2.515 2 2.8 2 1 6 44.68 2.028 24 1.52 0 1 20.44 4.346 12 0.58 2 0 5 35.73 2.513 12 0.09 3 2 2 45.17 2.007 24 0.791 1 2 20.64 4.304 12 15.4 3 1 1 36.18 2.483 24 3.7 1 1 7 45.50 1.993 12 0.312 0 2 22.87 3.889 12 7.2 2 2 2 36.30 2.475 12 0.80 4 1 0 45.82 1.980 12 0.101 1 3 24.53 3.629 12 0.31 1 0 6 37.10 2.424 12 0.02 2 2 5 45.87 1.978 12 0.402 1 0 25.97 3.430 12 2.2 3 1 2 37.67 2.388 24 0.37 4 1 1 46.23 1.964 24 0.202 0 3 26.45 3.369 12 0.62 3 0 4 38.13 2.360 12 5.2 2 0 7 46.65 1.947 12 0.122 1 1 26.65 3.345 24 12.7 2 2 3 38.75 2.324 12 0.10 4 0 4 46.72 1.944 12 0.912 1 2 28.59 3.123 24 11.7 4 0 0 39.73 2.269 6 0.48 3 0 6 46.98 1.934 12 0.341 1 4 29.17 3.061 12 23.5 1 1 6 39.76 2.267 12 0.92 3 1 5 47.01 1.933 24 5.13 0 0 29.53 3.025 6 6.5 2 1 5 39.78 2.266 24 3.4 3 2 3 47.25 1.924 24 0.393 0 1 30.13 2.966 12 0.92 3 1 3 40.06 2.251 24 1.7 4 1 2 47.46 1.916 24 5.02 0 4 30.82 2.901 12 0.46 4 0 1 40.19 2.244 12 0.12 1 0 8 49.35 1.847 12 0.791 0 5 31.23 2.864 12 14.6 2 0 6 41.03 2.200 12 0.02 4 1 3 49.46 1.843 24 0.342 1 3 31.57 2.834 24 10.6 4 0 2 41.56 2.173 12 0.14 2 1 7 49.97 1.825 24 0.863 0 2 31.87 2.808 12 19.2 2 2 4 41.99 2.152 12 1.1

CZP

Chiral

Sodium

Zincophosphate,

P6

122

504030201002 theta (°)

25

20

15

10

5

0


CHEMICAL COMPOSITION: |Na12(H2O)12| [Zn12P12O48]






1 0 0 9.81 9.017 6 10.9 3 0 2 32.03 2.795 12 14.0 3 0 5 42.31 2.136 12 0.041 0 1 11.41 7.753 12 100.0 2 2 0 34.45 2.603 6 9.5 1 0 7 42.88 2.109 12 0.041 0 2 15.26 5.808 12 23.8 3 0 3 34.71 2.584 12 1.7 3 1 4 43.32 2.088 24 1.41 1 0 17.03 5.206 6 16.4 2 2 1 34.97 2.566 12 0.31 3 2 0 43.76 2.069 12 0.171 1 1 18.01 4.925 12 0.05 2 1 4 35.39 2.536 24 1.4 4 0 3 43.97 2.059 12 1.42 0 0 19.69 4.509 6 0.09 0 0 6 35.47 2.531 2 2.0 3 2 1 44.18 2.050 24 2.31 0 3 20.12 4.414 12 1.5 2 0 5 35.64 2.519 12 0.01 2 1 6 44.60 2.032 24 0.912 0 1 20.55 4.322 12 0.57 3 1 0 35.91 2.501 12 0.49 1 1 7 45.29 2.002 12 0.271 1 2 20.69 4.294 12 11.3 3 1 1 36.41 2.468 24 2.4 3 2 2 45.44 1.996 24 0.782 0 2 22.94 3.877 12 6.6 2 2 2 36.49 2.462 12 0.45 2 2 5 45.92 1.976 12 0.221 1 3 24.53 3.629 12 0.11 1 0 6 36.89 2.437 12 0.21 2 0 7 46.46 1.955 12 0.071 0 4 25.46 3.499 12 0.05 3 1 2 37.88 2.375 24 0.31 4 1 1 46.54 1.951 24 0.092 1 0 26.15 3.408 12 1.6 3 0 4 38.19 2.356 12 3.8 4 0 4 46.87 1.938 12 0.842 0 3 26.47 3.367 12 0.01 2 2 3 38.91 2.315 12 0.12 3 0 6 46.93 1.936 12 0.602 1 1 26.81 3.325 24 12.8 1 1 6 39.60 2.276 12 1.4 3 1 5 47.07 1.931 24 3.52 1 2 28.71 3.109 24 9.6 2 1 5 39.75 2.267 24 3.6 3 2 3 47.48 1.915 24 0.331 1 4 29.11 3.067 12 18.8 4 0 0 39.99 2.254 6 0.38 4 1 2 47.75 1.905 24 4.13 0 0 29.72 3.006 6 6.7 3 1 3 40.22 2.242 24 0.68 1 0 8 49.05 1.857 12 0.583 0 1 30.31 2.948 12 0.58 4 0 1 40.45 2.230 12 0.13 4 1 3 49.71 1.834 24 0.522 0 4 30.79 2.904 12 0.43 2 0 6 40.89 2.207 12 0.09 2 1 7 49.83 1.830 24 0.531 0 5 31.07 2.878 12 12.8 4 0 2 41.80 2.161 12 0.292 1 3 31.65 2.827 24 4.1 2 2 4 42.09 2.147 12 0.87

CZP

Chiral

Sodium

Zincophosphate,

P6

522

504030201002 theta (°)

25

20

15

10

5

0

DAC Dachiardite

CHEMICAL COMPOSITION: |Na0.42K0.92Cs0.11Ca1.54Sr0.12Ba0.01(H2O)12.56| [Si18.96Al4.86Fe0.02O48]Elba, Italy

REFINED COMPOSITION: |K0.62Ca2.76(H2O)12| [Si19.2Al4.8O48]



REFERENCE: G. Vezzalini,Z. Kristallogr. 166 63–71 (1984).


0 0 1 9.07 9.752 2 3.8 -4 2 2 32.93 2.720 4 11.6 -4 2 4 43.69 2.072 4 1.42 0 0 9.95 8.887 2 69.6 -5 1 3 33.33 2.688 4 0.03 5 3 0 44.22 2.048 4 0.82

-2 0 1 11.23 7.882 2 0.05 2 2 2 33.49 2.676 4 13.4 0 2 4 44.28 2.045 4 1.21 1 0 12.78 6.924 4 50.3 -6 0 3 34.12 2.627 2 1.8 -2 0 5 44.39 2.041 2 4.6

-1 1 1 14.78 5.994 4 25.9 4 2 1 34.27 2.616 4 1.0 8 0 1 44.51 2.035 2 0.151 1 1 16.56 5.352 4 9.0 -2 0 4 35.05 2.560 2 11.0 -7 1 4 44.56 2.033 4 0.22

-2 0 2 17.86 4.965 2 29.9 -2 2 3 35.55 2.525 4 4.9 -4 0 5 44.64 2.030 2 0.140 0 2 18.19 4.876 2 45.5 -7 1 1 35.75 2.512 4 1.4 5 1 3 44.82 2.022 4 0.77

-3 1 1 19.05 4.659 4 2.0 -4 0 4 36.18 2.483 2 2.7 -5 3 2 44.86 2.020 4 3.83 1 0 19.07 4.654 4 2.3 1 3 0 36.20 2.481 4 1.2 -1 3 3 45.00 2.014 4 0.45

-4 0 1 19.24 4.613 2 5.1 -7 1 2 36.53 2.460 4 0.63 -3 3 3 45.39 1.998 4 0.384 0 0 19.98 4.444 2 2.6 0 2 3 36.54 2.459 4 6.8 3 3 2 45.44 1.996 4 3.4

-1 1 2 20.99 4.232 4 3.4 0 0 4 36.87 2.438 2 0.59 -9 1 2 45.57 1.990 4 0.97-4 0 2 22.56 3.941 2 32.1 -1 3 1 37.00 2.430 4 1.3 -9 1 1 45.60 1.989 4 1.3-3 1 2 23.02 3.863 4 8.7 -3 1 4 37.28 2.412 4 1.4 -8 2 1 45.87 1.978 4 0.013 1 1 23.08 3.854 4 1.7 3 1 3 37.37 2.406 4 0.79 -3 1 5 45.91 1.977 4 0.242 0 2 23.35 3.810 2 38.7 7 1 0 37.38 2.406 4 0.02 3 1 4 46.00 1.973 4 1.51 1 2 23.54 3.780 4 12.6 -4 2 3 37.47 2.400 4 4.8 -8 0 4 46.06 1.971 2 1.60 2 0 23.67 3.759 2 7.8 -6 2 1 37.51 2.397 4 0.03 4 2 3 46.16 1.967 4 0.034 0 1 24.43 3.644 2 8.6 5 1 2 37.55 2.395 4 3.8 -8 2 2 46.17 1.966 4 2.60 2 1 25.39 3.507 4 9.0 -1 1 4 37.62 2.391 4 1.2 0 0 5 46.57 1.950 2 0.082 2 0 25.73 3.462 4 100.0 1 3 1 37.79 2.381 4 0.51 7 1 2 46.71 1.945 4 1.5

-2 0 3 26.14 3.409 2 22.2 -6 2 2 38.65 2.329 4 0.20 -1 1 5 46.86 1.939 4 0.75-2 2 1 26.27 3.393 4 9.2 6 2 0 38.70 2.327 4 0.72 5 3 1 46.91 1.937 4 1.1-5 1 1 26.69 3.340 4 16.1 3 3 0 39.02 2.308 4 0.02 1 3 3 47.01 1.933 4 0.300 0 3 27.44 3.251 2 3.8 4 0 3 39.03 2.308 2 4.7 -6 2 4 47.04 1.932 4 1.95 1 0 27.76 3.214 4 53.5 4 2 2 39.46 2.283 4 0.04 6 2 2 47.16 1.927 4 1.92 2 1 28.37 3.146 4 0.05 -7 1 3 39.60 2.276 4 3.8 -6 0 5 47.29 1.922 2 0.54

-4 0 3 28.62 3.119 2 4.6 -5 1 4 39.73 2.269 4 0.34 -5 1 5 47.34 1.920 4 0.15-6 0 1 28.68 3.113 2 0.04 -6 0 4 40.04 2.252 2 0.62 -9 1 3 47.52 1.914 4 0.67-5 1 2 28.72 3.109 4 1.5 -1 3 2 40.06 2.251 4 0.04 8 2 0 47.54 1.913 4 0.35-1 1 3 28.91 3.088 4 6.7 6 0 2 40.18 2.245 2 0.04 9 1 0 47.60 1.910 4 1.1-3 1 3 29.48 3.030 4 4.5 2 2 3 40.26 2.240 4 0.05 4 0 4 47.74 1.905 2 1.53 1 2 29.56 3.022 4 2.5 8 0 0 40.60 2.222 2 0.03 -5 3 3 48.14 1.890 4 0.16

-2 2 2 29.81 2.997 4 1.3 1 1 4 40.68 2.218 4 0.74 2 2 4 48.15 1.890 4 2.50 2 2 30.02 2.977 4 1.8 7 1 1 41.18 2.192 4 0.66 -8 2 3 48.42 1.880 4 0.02

-6 0 2 30.11 2.968 2 24.3 -3 3 2 41.22 2.190 4 0.79 0 4 0 48.43 1.880 2 11.96 0 0 30.17 2.962 2 1.5 3 3 1 41.26 2.188 4 0.33 -10 0 2 48.85 1.864 2 1.0

-4 2 1 30.68 2.914 4 0.16 2 0 4 41.30 2.186 2 1.7 -10 0 1 49.20 1.852 2 1.84 0 2 31.11 2.874 2 10.7 1 3 2 41.53 2.174 4 1.1 0 4 1 49.38 1.846 4 0.404 2 0 31.16 2.870 4 20.4 -8 0 3 41.60 2.171 2 0.32 2 4 0 49.57 1.839 4 0.425 1 1 31.64 2.828 4 0.33 -6 2 3 41.95 2.154 4 0.01 -2 4 1 49.88 1.828 4 0.251 1 3 31.78 2.816 4 1.3 6 2 1 42.04 2.149 4 0.53 -7 3 1 49.96 1.826 4 2.82 0 3 32.09 2.789 2 0.17 -2 2 4 42.73 2.116 4 0.18

DAC

Dachiardite

504030201002 theta (°)

70

60

50

40

30

20

10

0

DDR N2, 1-aminoadamantane Deca-Dodecasil 3R

CHEMICAL COMPOSITION: |(C10H17N)6(N2)9| [Si120O240]C10H17N = 1-aminoadamantane

REFINED COMPOSITION: |C69N6| [Si120O240]

CRYSTAL DATA: R3m (No. 166; hexagonal setting)a = 13.860 A b = 13.860 A c = 40.891 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: H. Gies,Z. Kristallogr. 175 93–104 (1986).


0 0 3 6.48 13.630 2 23.5 0 4 2 30.10 2.969 6 2.0 5 1 1 41.97 2.153 12 0.801 0 1 7.68 11.517 6 40.5 1 3 7 30.92 2.892 12 2.1 1 5 2 42.15 2.144 12 0.180 1 2 8.54 10.351 6 12.9 4 0 4 31.06 2.879 6 3.2 1 2 17 42.54 2.125 12 0.381 0 4 11.37 7.783 6 21.1 1 2 11 31.10 2.875 12 0.87 1 0 19 42.68 2.118 6 0.121 1 0 12.77 6.930 6 18.2 0 1 14 31.52 2.838 6 2.4 2 4 7 42.76 2.115 12 1.50 0 6 12.99 6.815 2 18.0 0 4 5 31.76 2.817 6 0.73 5 1 4 42.87 2.109 12 0.190 1 5 13.10 6.759 6 0.64 2 2 9 32.50 2.755 12 0.34 0 4 14 43.22 2.093 6 0.211 1 3 14.34 6.177 12 17.5 3 2 1 32.59 2.747 12 1.9 4 1 12 43.58 2.077 12 0.850 2 1 14.92 5.938 6 1.1 4 0 7 33.57 2.669 6 4.5 1 4 12 43.58 2.077 12 0.752 0 2 15.39 5.759 6 58.5 3 2 4 33.71 2.659 12 0.30 3 2 13 43.69 2.072 12 0.311 0 7 16.88 5.253 6 7.5 2 0 14 34.14 2.626 6 1.0 0 5 10 43.72 2.070 6 0.130 2 4 17.13 5.176 6 100.0 2 3 5 34.36 2.610 12 0.19 3 3 9 43.97 2.059 12 0.591 1 6 18.26 4.859 12 26.1 3 0 12 34.57 2.594 6 0.46 5 1 7 44.81 2.022 12 0.762 0 5 18.34 4.838 6 19.9 0 3 12 34.57 2.594 6 0.37 0 1 20 44.98 2.016 6 0.480 1 8 18.87 4.703 6 48.7 2 1 13 34.70 2.585 12 2.5 1 5 8 45.67 1.986 12 0.450 0 9 19.54 4.543 2 5.0 4 1 3 34.88 2.572 12 0.59 2 4 10 45.74 1.984 12 1.52 1 1 19.69 4.509 12 46.7 1 0 16 35.93 2.500 6 2.0 0 6 3 45.84 1.979 6 1.41 2 2 20.05 4.429 12 3.1 3 2 7 36.06 2.491 12 2.6 6 0 3 45.84 1.979 6 0.710 2 7 21.22 4.186 6 5.1 4 1 6 36.76 2.445 12 0.16 0 3 18 45.94 1.976 6 2.62 1 4 21.43 4.147 12 27.4 1 4 6 36.76 2.445 12 6.6 3 0 18 45.94 1.976 6 3.03 0 0 22.22 4.001 6 10.0 2 2 12 37.00 2.430 12 1.4 4 3 1 46.05 1.971 12 3.31 2 5 22.41 3.967 12 9.4 2 3 8 37.08 2.424 12 9.2 3 1 17 46.58 1.950 12 1.52 0 8 22.85 3.891 6 2.0 4 0 10 37.16 2.419 6 0.33 0 0 21 46.64 1.947 2 2.11 0 10 22.98 3.871 6 7.5 0 5 1 37.53 2.396 6 4.4 4 0 16 46.68 1.946 6 1.53 0 3 23.17 3.839 6 9.9 5 0 2 37.73 2.384 6 0.51 4 3 4 46.89 1.938 12 1.00 3 3 23.17 3.839 6 9.4 0 2 16 38.28 2.351 6 3.4 4 2 11 46.92 1.936 12 3.11 1 9 23.41 3.800 12 14.6 0 4 11 38.56 2.335 6 4.4 5 2 0 47.29 1.922 12 0.482 1 7 24.85 3.583 12 9.8 3 3 0 38.99 2.310 6 3.9 6 0 6 47.36 1.920 6 2.72 2 0 25.71 3.465 6 12.5 5 0 5 39.11 2.303 6 9.8 0 6 6 47.36 1.920 6 0.570 3 6 25.82 3.450 6 10.6 1 3 13 39.41 2.286 12 0.13 3 4 5 47.39 1.918 12 0.123 0 6 25.82 3.450 6 2.7 3 2 10 39.45 2.284 12 1.6 3 3 12 47.55 1.912 12 0.550 0 12 26.15 3.408 2 17.4 3 3 3 39.57 2.278 12 2.1 2 5 3 47.79 1.903 12 0.281 2 8 26.26 3.393 12 43.4 0 0 18 39.67 2.272 2 0.53 5 2 3 47.79 1.903 12 0.120 2 10 26.37 3.379 6 8.9 4 1 9 39.72 2.269 12 1.9 4 1 15 48.18 1.889 12 0.102 2 3 26.54 3.358 12 53.9 2 4 1 39.80 2.265 12 0.35 1 4 15 48.18 1.889 12 0.321 3 1 26.87 3.318 12 42.2 4 2 2 39.99 2.255 12 0.73 0 4 17 48.50 1.877 6 0.553 1 2 27.14 3.286 12 2.4 3 0 15 40.02 2.253 6 3.0 1 5 11 48.83 1.865 12 0.261 3 4 28.19 3.165 12 1.3 0 3 15 40.02 2.253 6 2.2 1 2 20 48.86 1.864 12 1.12 0 11 28.24 3.160 6 13.8 2 0 17 40.40 2.233 6 2.8 2 5 6 49.26 1.850 12 1.23 1 5 28.96 3.083 12 8.7 0 5 7 40.63 2.220 6 1.7 5 2 6 49.26 1.850 12 0.201 1 12 29.20 3.058 12 18.9 2 4 4 40.74 2.215 12 0.26 3 4 8 49.51 1.841 12 0.971 0 13 29.35 3.043 6 0.91 2 3 11 40.78 2.213 12 3.2 2 4 13 49.54 1.840 12 4.02 1 10 29.41 3.037 12 11.7 5 0 8 41.56 2.173 6 0.43 6 0 9 49.80 1.831 6 0.153 0 9 29.75 3.003 6 11.3 4 0 13 41.59 2.171 6 0.11 0 6 9 49.80 1.831 6 2.04 0 1 29.85 2.993 6 8.4 1 1 18 41.85 2.159 12 2.4 1 6 1 49.87 1.829 12 2.0

DD

RN

2 ,1-am

inoadamantane

Deca-D

odecasil3R

504030201002 theta (°)

60

50

40

30

20

10

0

DFO Decamethonium DAF-1

CHEMICAL COMPOSITION: |(C16H38N2)7.92(H2O)40.26| [Mg14.52Al51.48P66O264]

C16H38N2+2 = decamethonium ion

REFINED COMPOSITION: |C23| [Si132O264]

CRYSTAL DATA: P6/mmm (No. 191)a = 22.351 A b = 22.351 A c = 21.693 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: P. A. Wright, R. H. Jones, S. Natarajan, R. G. Bell, J. Chen,M. B. Hursthouse and J. M. Thomas,J. Chem. Soc., Chem. Comm. 633–635 (1993).


0 0 1 4.07 21.693 2 6.3 4 2 0 24.33 3.658 12 0.24 2 0 8 34.34 2.611 12 0.651 0 0 4.56 19.357 6 39.6 5 0 2 24.41 3.646 12 0.18 6 2 2 34.42 2.606 24 0.171 0 1 6.12 14.443 12 18.5 4 0 4 24.66 3.611 12 1.6 6 1 4 34.60 2.593 24 0.351 1 0 7.91 11.175 6 100.0 4 2 1 24.68 3.607 24 1.2 5 3 3 34.73 2.583 24 0.840 0 2 8.15 10.846 2 39.2 3 2 4 25.93 3.436 24 1.8 7 0 3 34.73 2.583 12 0.961 1 1 8.90 9.935 12 4.2 5 1 1 25.96 3.433 24 0.27 4 2 6 34.89 2.571 24 0.542 0 0 9.14 9.678 6 0.18 2 2 5 26.00 3.427 12 0.22 4 3 5 34.97 2.566 24 0.461 0 2 9.35 9.462 12 0.16 2 0 6 26.31 3.387 12 0.53 7 1 0 35.00 2.564 12 0.212 0 1 10.01 8.839 12 20.1 3 1 5 26.41 3.374 24 0.36 7 1 1 35.25 2.546 24 0.181 1 2 11.37 7.783 12 1.9 5 1 2 26.93 3.311 24 0.50 3 2 7 35.32 2.541 24 0.152 1 0 12.10 7.316 12 4.5 4 2 3 27.32 3.264 24 1.1 4 1 7 35.94 2.499 24 0.312 0 2 12.26 7.221 12 2.6 2 1 6 27.52 3.241 24 1.3 7 0 4 36.47 2.463 12 0.631 0 3 13.07 6.774 12 2.2 6 0 0 27.65 3.226 6 4.0 6 1 5 36.83 2.441 24 0.783 0 0 13.72 6.452 6 0.72 6 0 1 27.96 3.191 12 0.20 6 3 0 36.86 2.439 12 0.543 0 1 14.32 6.184 12 1.6 5 0 4 28.32 3.151 12 0.26 8 0 0 37.16 2.420 6 0.192 1 2 14.60 6.065 24 0.40 4 3 1 28.35 3.148 24 0.46 7 1 3 37.21 2.416 24 0.272 0 3 15.30 5.793 12 5.0 5 1 3 28.49 3.133 24 1.4 6 2 4 37.38 2.406 24 1.12 2 0 15.86 5.588 6 0.83 3 2 5 28.77 3.103 24 0.87 8 0 1 37.40 2.405 12 0.173 0 2 15.98 5.545 12 0.27 5 2 0 28.80 3.100 12 1.3 7 2 0 38.05 2.365 12 0.450 0 4 16.34 5.423 2 0.88 0 0 7 28.81 3.099 2 1.2 7 0 5 38.61 2.332 12 0.172 2 1 16.38 5.411 12 4.0 6 0 2 28.87 3.092 12 0.20 3 2 8 38.91 2.314 24 0.323 1 0 16.51 5.369 12 0.57 5 2 1 29.10 3.068 24 1.1 6 3 3 38.98 2.311 24 0.191 0 4 16.98 5.222 12 2.8 4 2 4 29.45 3.033 24 1.7 5 5 0 40.35 2.235 6 0.393 1 1 17.01 5.211 24 0.80 3 1 6 29.79 2.999 24 0.20 7 0 6 41.09 2.196 12 0.232 1 3 17.24 5.143 24 0.29 1 1 7 29.92 2.986 12 0.34 3 3 8 41.18 2.192 12 0.261 1 4 18.18 4.879 12 0.24 5 2 2 29.98 2.980 24 0.25 7 3 0 41.46 2.178 12 0.184 0 0 18.33 4.839 6 1.5 6 1 0 30.28 2.952 12 0.92 9 0 0 42.01 2.151 6 0.532 0 4 18.76 4.731 12 0.52 2 0 7 30.28 2.951 12 0.69 5 1 8 42.27 2.138 24 0.344 0 1 18.79 4.723 12 0.15 6 0 3 30.34 2.946 12 0.32 6 4 3 42.59 2.123 24 0.272 2 3 20.08 4.421 12 0.17 5 1 4 30.54 2.927 24 0.73 2 0 10 42.71 2.117 12 0.172 1 4 20.38 4.357 24 8.1 6 1 1 30.56 2.925 24 0.39 8 0 5 42.79 2.113 12 0.433 2 1 20.41 4.350 24 1.2 4 3 3 30.70 2.913 24 1.4 8 2 1 43.03 2.102 24 0.320 0 5 20.47 4.339 2 0.59 2 1 7 31.35 2.854 24 0.38 9 1 0 44.66 2.029 12 0.181 0 5 20.98 4.234 12 0.44 3 2 6 31.92 2.804 24 0.38 7 3 4 44.85 2.021 24 0.564 1 0 21.03 4.224 12 12.3 4 2 5 32.00 2.797 24 3.6 7 4 0 45.17 2.007 12 0.604 1 1 21.43 4.146 24 1.8 4 4 0 32.03 2.794 6 1.2 6 1 8 45.42 1.997 24 0.494 0 3 22.10 4.022 12 1.8 3 0 7 32.04 2.793 12 0.23 1 0 11 46.27 1.962 12 0.172 0 5 22.46 3.959 12 6.3 7 0 1 32.64 2.743 12 0.21 9 1 3 46.48 1.954 24 0.194 1 2 22.59 3.936 24 2.0 6 1 3 32.77 2.733 24 0.36 7 3 5 46.67 1.946 24 0.262 2 4 22.85 3.892 12 0.28 4 4 2 33.11 2.706 12 0.32 6 2 8 47.67 1.908 24 0.485 0 0 22.97 3.871 6 3.4 5 2 4 33.29 2.691 24 0.23 2 1 11 47.76 1.904 24 0.683 1 4 23.31 3.815 24 2.1 1 0 8 33.37 2.685 12 0.54 3 1 11 49.22 1.851 24 0.232 1 5 23.84 3.732 24 5.6 6 2 0 33.38 2.684 12 0.17 8 3 4 49.32 1.848 24 0.263 3 0 23.89 3.725 6 3.5 5 3 2 33.44 2.680 24 0.20 9 2 3 49.42 1.844 24 0.273 3 1 24.24 3.671 12 0.23 6 2 1 33.64 2.664 24 0.18 8 4 0 49.86 1.829 12 0.20

DFO

Decam

ethoniumD

AF-1

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

DFT Magnesium Phosphate UiO-20

CHEMICAL COMPOSITION: |(NH3(CH2)2NH3)16| [Mg32P32O128]NH2(CH2)2NH2 = ethylenediamine

REFINED COMPOSITION: |C32N32| [Mg32P32O128]

CRYSTAL DATA: C1 2/c 1 (No. 15; unique axis b, cell choice 1)a = 20.9098 A b = 17.8855 A c = 14.7913 Aα = 90.0◦ β = 134.842◦ γ = 90.0◦


REFERENCE: K. O. Kongshaug, H. Fjellvag and K. P. Lillerud,Chemistry of Materials 12 1095–1099 (2000).


-1 1 1 7.76 11.398 4 1.2 -7 1 5 33.02 2.713 4 0.84 -8 4 4 39.95 2.256 4 1.02 0 0 11.94 7.413 2 73.7 2 4 2 33.64 2.664 4 8.0 -5 3 6 40.02 2.253 4 1.7

-2 0 2 11.97 7.396 2 71.1 -2 4 4 33.67 2.662 4 13.6 -7 3 6 40.06 2.251 4 0.832 2 0 15.53 5.707 4 30.3 -6 4 2 33.69 2.660 4 12.5 0 8 0 40.34 2.236 2 12.3

-2 2 2 15.55 5.699 4 28.5 -6 4 4 33.72 2.658 4 6.5 2 6 2 40.69 2.217 4 11.50 0 2 16.91 5.244 2 19.5 0 0 4 34.20 2.622 2 13.8 -6 6 2 40.74 2.215 4 0.63

-4 0 2 16.96 5.227 2 21.7 -8 0 4 34.31 2.614 2 11.1 -6 6 4 40.76 2.214 4 10.70 2 2 19.62 4.524 4 1.2 0 6 2 34.61 2.591 4 6.9 2 4 3 40.80 2.212 4 0.76

-4 2 2 19.67 4.513 4 1.4 -4 6 2 34.64 2.589 4 6.6 -8 4 5 40.93 2.205 4 0.920 4 0 19.86 4.471 2 97.4 3 5 1 35.38 2.537 4 2.1 0 8 1 41.29 2.187 4 1.42 2 1 21.39 4.155 4 17.9 -5 5 1 35.41 2.535 4 1.5 -2 8 1 41.29 2.186 4 1.3

-2 2 3 21.42 4.149 4 29.7 -5 5 4 35.45 2.532 4 1.5 3 5 2 41.36 2.183 4 0.61-4 2 1 21.42 4.149 4 27.2 -1 7 1 35.66 2.518 4 0.55 -7 5 5 41.47 2.177 4 0.76-4 2 3 21.45 4.142 4 21.1 0 2 4 35.68 2.516 4 2.6 6 4 0 41.76 2.163 4 2.40 4 1 21.60 4.113 4 1.7 2 6 1 35.68 2.516 4 6.5 -6 4 6 41.84 2.159 4 3.5

-2 4 1 21.62 4.111 4 1.2 -4 6 1 35.70 2.515 4 0.86 -9 3 5 41.97 2.153 4 0.52-5 1 3 22.25 3.996 4 0.54 -2 6 3 35.70 2.515 4 0.94 4 6 1 43.46 2.082 4 0.522 4 0 23.23 3.829 4 75.2 -4 6 3 35.72 2.513 4 7.3 4 4 2 43.57 2.077 4 3.5

-2 4 2 23.25 3.826 4 74.9 -8 2 4 35.79 2.509 4 2.6 -4 4 6 43.63 2.074 4 5.34 2 0 26.02 3.424 4 100.0 6 0 0 36.36 2.471 2 0.84 -8 4 2 43.63 2.074 4 4.8

-4 2 4 26.08 3.417 4 97.4 -6 0 6 36.45 2.465 2 0.89 -8 4 6 43.70 2.071 4 2.80 4 2 26.19 3.402 4 30.5 -2 2 5 36.76 2.445 4 0.52 0 8 2 44.03 2.057 4 3.0

-4 4 2 26.23 3.398 4 32.6 4 4 1 36.86 2.438 4 0.83 -2 0 6 44.05 2.056 2 0.771 3 2 26.32 3.387 4 1.2 -4 4 5 36.92 2.435 4 0.68 -4 8 2 44.05 2.056 4 2.9

-1 3 3 26.33 3.385 4 1.7 -6 4 5 36.95 2.433 4 0.88 -10 0 4 44.14 2.052 2 0.83-5 3 2 26.37 3.380 4 1.3 5 1 1 37.21 2.416 4 1.2 0 2 5 44.36 2.042 4 0.65-5 3 3 26.38 3.378 4 2.1 -7 1 1 37.25 2.414 4 2.2 6 2 1 44.36 2.042 4 3.82 0 2 26.87 3.318 2 83.4 -5 1 6 37.30 2.411 4 1.1 -6 2 7 44.46 2.038 4 0.65

-2 0 4 26.91 3.313 2 21.1 1 7 1 37.73 2.384 4 0.67 -8 2 7 44.50 2.036 4 3.1-6 0 2 26.94 3.309 2 20.6 6 2 0 37.77 2.382 4 1.1 -2 2 6 45.26 2.003 4 4.0-6 0 4 26.98 3.305 2 82.8 -6 2 6 37.86 2.377 4 1.5 -10 2 4 45.35 2.000 4 4.82 4 1 27.56 3.237 4 0.69 4 0 2 38.37 2.346 2 5.6 0 6 4 46.10 1.969 4 0.55

-4 4 3 27.61 3.231 4 0.70 -4 0 6 38.45 2.341 2 3.3 -8 6 4 46.19 1.965 4 0.58-1 5 2 28.35 3.148 4 0.54 -8 0 2 38.45 2.341 2 3.5 1 5 4 46.71 1.945 4 0.932 2 2 28.70 3.111 4 0.54 -8 0 6 38.52 2.337 2 4.6 -9 5 5 46.84 1.940 4 0.81

-2 2 4 28.73 3.107 4 1.1 4 6 0 38.76 2.323 4 7.4 6 6 0 47.81 1.902 4 2.7-6 2 2 28.76 3.104 4 0.88 -4 6 4 38.80 2.321 4 6.1 -6 6 6 47.88 1.900 4 2.73 3 1 28.98 3.081 4 0.69 -1 1 5 39.23 2.297 4 1.1 -10 4 5 48.03 1.894 4 0.54

-3 5 3 30.88 2.895 4 0.62 -9 1 5 39.35 2.290 4 1.9 8 0 0 49.16 1.853 2 14.14 2 1 32.36 2.766 4 0.69 -7 5 4 39.55 2.279 4 0.82 -8 0 8 49.28 1.849 2 16.62 6 0 32.37 2.766 4 18.4 4 2 2 39.72 2.269 4 4.3 4 6 2 49.44 1.843 4 3.0

-2 6 2 32.38 2.765 4 18.7 0 6 3 39.74 2.268 4 1.2 -4 6 6 49.50 1.841 4 0.583 1 2 32.89 2.723 4 0.54 -6 6 3 39.79 2.265 4 1.2 -8 6 2 49.50 1.841 4 0.96

-3 1 5 32.95 2.719 4 0.99 -8 2 6 39.87 2.261 4 4.2 -8 6 6 49.56 1.839 4 3.5-7 1 2 32.96 2.717 4 0.95 5 3 1 39.94 2.257 4 1.4 -7 1 8 49.95 1.826 4 0.52

DFT

Magnesium

Phosphate

UiO

-20

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

DOH N2, Piperidine Dodecasil 1H

CHEMICAL COMPOSITION: |(N2)3(N2)2C5H10NH| [Si34O68]C5H10NH = piperidine

REFINED COMPOSITION: |C15.4| [Si34O68]



REFERENCE: H. Gerke and H. Gies,Z. Kristallogr. 166 11–22 (1984).


1 0 0 7.41 11.936 6 37.1 3 1 2 31.40 2.849 24 4.8 3 1 4 42.30 2.137 24 0.140 0 1 7.90 11.190 2 5.9 0 0 4 31.99 2.797 2 0.05 4 1 3 42.32 2.136 24 0.141 0 1 10.84 8.164 12 14.3 3 2 0 32.70 2.738 12 1.4 1 1 5 42.47 2.129 12 0.841 1 0 12.85 6.891 6 15.3 1 0 4 32.88 2.724 12 2.2 3 3 2 42.54 2.125 12 0.022 0 0 14.84 5.968 6 14.4 3 0 3 32.91 2.721 12 0.89 5 1 1 42.95 2.106 24 0.031 1 1 15.10 5.868 12 35.6 3 2 1 33.69 2.660 24 0.12 2 0 5 43.17 2.096 12 0.100 0 2 15.84 5.595 2 15.3 4 0 2 34.05 2.633 12 1.3 4 2 2 43.24 2.092 24 0.312 0 1 16.84 5.266 12 100.0 4 1 0 34.43 2.605 12 0.04 4 0 4 44.39 2.041 12 0.561 0 2 17.51 5.066 12 33.5 1 1 4 34.60 2.592 12 0.12 5 0 3 45.09 2.011 12 0.122 1 0 19.68 4.512 12 16.9 4 1 1 35.38 2.537 24 2.6 2 1 5 45.23 2.005 24 0.141 1 2 20.45 4.344 12 0.45 2 0 4 35.44 2.533 12 4.7 5 1 2 45.30 2.002 24 0.202 1 1 21.23 4.184 24 11.5 2 2 3 35.47 2.531 12 0.98 6 0 0 45.60 1.989 6 0.312 0 2 21.77 4.082 12 3.0 3 1 3 36.28 2.476 24 0.04 4 3 0 46.26 1.962 12 1.03 0 0 22.34 3.979 6 8.0 3 2 2 36.53 2.460 24 9.1 6 0 1 46.35 1.959 12 0.633 0 1 23.73 3.749 12 33.1 5 0 0 37.68 2.387 6 6.6 3 2 4 46.40 1.957 24 0.550 0 3 23.86 3.730 2 6.2 2 1 4 37.84 2.378 24 1.7 3 3 3 46.42 1.956 12 0.801 0 3 25.01 3.560 12 6.0 5 0 1 38.56 2.335 12 2.6 3 0 5 46.56 1.951 12 1.32 1 2 25.36 3.512 24 48.3 4 0 3 38.64 2.330 12 1.8 4 3 1 47.01 1.933 24 0.192 2 0 25.86 3.446 6 18.8 3 3 0 39.22 2.297 6 4.7 4 2 3 47.08 1.930 24 4.03 1 0 26.93 3.311 12 25.1 3 0 4 39.37 2.288 12 8.0 5 2 0 47.57 1.911 12 0.122 2 1 27.08 3.293 12 16.2 4 2 0 39.97 2.256 12 0.69 4 1 4 47.71 1.906 24 0.231 1 3 27.18 3.280 12 20.7 3 3 1 40.07 2.250 12 0.26 5 2 1 48.31 1.884 24 0.323 0 2 27.51 3.243 12 0.22 0 0 5 40.30 2.238 2 0.38 2 2 5 48.50 1.877 12 0.013 1 1 28.11 3.175 24 1.2 4 2 1 40.81 2.211 24 0.93 6 0 2 48.57 1.874 12 2.92 0 3 28.21 3.163 12 15.7 3 2 3 40.88 2.207 24 4.4 0 0 6 48.83 1.865 2 1.34 0 0 29.94 2.984 6 1.6 1 0 5 41.03 2.200 12 0.08 5 1 3 49.01 1.859 24 0.092 2 2 30.47 2.934 12 0.11 5 0 2 41.11 2.196 12 1.1 3 1 5 49.14 1.854 24 0.624 0 1 31.01 2.883 12 0.02 2 2 4 41.58 2.172 12 1.0 4 3 2 49.20 1.852 24 0.562 1 3 31.11 2.875 24 2.9 5 1 0 42.15 2.144 12 0.14

DO

HN

2 ,Pip

eridineD

odecasil1H

504030201002 theta (°)

504846444240383634323028262422201816141210

86420

DON UTD-1

CHEMICAL COMPOSITION: |((Cp∗)2CoF0.075OH0.25)2| [Si64O128](Cp∗)2CoOH = bis(pentamethylcyclopentadienyl)cobalt(III) hydroxide

REFINED COMPOSITION: |Co2C35| [Si64O128]

CRYSTAL DATA: Pc (No. 7; unique axis b, cell choice 1)a = 14.9701 A b = 8.4761 A c = 30.0278 Aα = 90◦ β = 102.65◦ γ = 90◦

X-ray Rietveld refinement, RF = 0.041, Rwp = 0.134

REFERENCE: T. Wessels, Ch. Baerlocher, L. B. McCusker and E. J. Creyghton,J. Am. Chem. Soc. 121 6242–6247 (1999).


0 0 2 6.03 14.649 2 62.1 1 2 0 21.84 4.070 4 19.6 -3 1 10 33.76 2.655 4 1.11 0 0 6.05 14.607 2 65.5 -2 1 6 22.19 4.006 4 3.6 -5 1 6 33.82 2.651 4 1.3

-1 0 2 7.55 11.704 2 77.3 -3 1 4 22.22 4.001 4 2.4 1 2 8 33.91 2.643 4 2.50 1 1 10.87 8.142 4 19.3 -1 2 2 22.31 3.985 4 25.4 4 2 2 33.96 2.640 4 2.80 1 2 12.06 7.337 4 3.0 -3 0 6 22.79 3.901 2 8.9 -4 0 10 34.81 2.577 2 1.61 1 0 12.07 7.331 4 2.4 1 1 6 22.97 3.872 4 16.8 1 3 4 35.06 2.559 4 3.20 0 4 12.08 7.325 2 10.1 3 1 2 23.00 3.866 4 14.0 -2 3 4 35.27 2.544 4 4.9

-1 1 1 12.12 7.303 4 12.5 1 2 2 23.03 3.861 4 5.4 5 0 4 35.49 2.530 2 1.72 0 0 12.12 7.303 2 9.2 -1 0 8 23.72 3.751 2 1.4 3 2 6 35.71 2.514 4 6.0

-1 0 4 12.27 7.211 2 5.9 2 0 6 24.04 3.702 2 1.1 -6 0 2 36.05 2.491 2 2.0-2 0 2 12.30 7.196 2 4.3 3 0 4 24.06 3.699 2 2.9 -2 0 12 36.14 2.485 2 3.11 1 1 12.77 6.935 4 8.1 0 0 8 24.30 3.662 2 15.4 -6 0 4 36.25 2.478 2 1.2

-1 1 2 12.90 6.865 4 2.1 4 0 0 24.37 3.652 2 20.0 -1 3 6 36.58 2.456 4 2.60 1 3 13.83 6.401 4 6.1 -2 0 8 24.69 3.605 2 14.2 -1 2 10 36.68 2.450 4 1.9

-1 1 3 14.29 6.199 4 5.6 -4 0 4 24.75 3.598 2 12.6 0 3 6 36.75 2.446 4 10.91 0 4 14.67 6.039 2 22.3 -3 1 6 25.13 3.544 4 17.4 -5 2 2 36.76 2.445 4 1.82 0 2 14.69 6.030 2 22.5 1 2 4 25.68 3.469 4 2.3 3 3 0 36.78 2.444 4 8.2

-2 0 4 15.14 5.852 2 7.9 2 2 2 25.69 3.467 4 2.4 -3 0 12 37.41 2.404 2 1.2-2 1 1 15.80 5.609 4 3.7 1 0 8 26.35 3.382 2 12.2 -3 3 4 37.49 2.399 4 2.71 1 3 15.89 5.576 4 3.2 4 0 2 26.41 3.374 2 8.9 -6 0 6 37.50 2.399 2 2.02 1 1 16.79 5.279 4 2.2 -3 0 8 27.07 3.294 2 1.7 1 3 6 37.96 2.370 4 1.8

-2 1 3 17.06 5.198 4 2.5 -1 2 6 27.66 3.225 4 2.2 3 3 2 37.99 2.369 4 6.3-1 0 6 17.85 4.970 2 10.6 -3 2 2 27.69 3.221 4 2.0 4 0 8 38.43 2.342 2 2.7-3 0 2 17.89 4.957 2 11.4 0 2 6 27.87 3.201 4 4.1 6 1 0 38.47 2.340 4 1.01 1 4 18.04 4.918 4 5.9 3 2 0 27.91 3.197 4 4.3 -3 2 10 38.58 2.333 4 1.62 1 2 18.05 4.914 4 8.3 1 1 8 28.41 3.141 4 4.1 -5 2 6 38.63 2.331 4 1.30 0 6 18.17 4.883 2 24.5 4 1 2 28.47 3.135 4 4.3 1 2 10 38.96 2.312 4 1.33 0 0 18.22 4.869 2 27.6 3 0 6 28.58 3.123 2 11.7 -6 0 8 39.72 2.269 2 1.7

-1 1 5 18.31 4.844 4 2.1 -2 2 6 28.80 3.100 4 5.0 3 3 4 40.16 2.245 4 2.0-2 1 4 18.42 4.816 4 7.2 -3 2 4 28.82 3.098 4 5.8 -2 0 14 42.23 2.140 2 4.62 0 4 18.94 4.684 2 1.5 -1 0 10 29.76 3.002 2 11.8 -7 0 4 42.36 2.134 2 2.9

-2 0 6 19.53 4.545 2 23.5 -5 0 2 29.85 2.993 2 5.9 0 4 0 42.67 2.119 2 9.8-3 0 4 19.56 4.539 2 20.0 2 1 8 31.45 2.844 4 2.3 -6 0 10 42.78 2.114 2 1.52 1 3 19.71 4.504 4 1.4 4 1 4 31.49 2.841 4 1.4 -5 1 12 44.13 2.052 4 1.1

-2 1 5 20.16 4.404 4 1.3 -3 0 10 32.02 2.795 2 1.9 -2 3 10 44.38 2.041 4 1.01 0 6 20.40 4.353 2 3.5 -5 0 6 32.07 2.791 2 3.5 -4 3 8 44.58 2.033 4 1.31 1 5 20.42 4.350 4 1.8 0 2 8 32.31 2.771 4 1.8 7 1 0 44.73 2.026 4 1.63 0 2 20.44 4.344 2 2.3 0 1 10 32.33 2.769 4 1.5 3 0 12 45.03 2.013 2 3.7

-1 1 6 20.72 4.287 4 6.8 4 2 0 32.36 2.766 4 1.8 6 0 6 45.10 2.010 2 2.3-3 1 2 20.76 4.279 4 9.3 -4 1 8 32.37 2.766 4 2.8 -5 3 6 45.69 1.985 4 1.70 2 0 20.96 4.238 2 100.0 5 1 0 32.42 2.762 4 1.1 1 1 14 46.41 1.956 4 1.90 1 6 21.00 4.231 4 32.0 1 0 10 32.46 2.759 2 3.9 7 1 2 46.53 1.952 4 1.63 1 0 21.04 4.222 4 32.2 5 0 2 32.54 2.752 2 7.2 -2 2 14 47.61 1.910 4 1.00 2 2 21.83 4.071 4 22.4 -2 2 8 32.61 2.746 4 1.3 -7 2 4 47.72 1.906 4 1.63 1 1 21.83 4.071 4 1.2 -4 2 4 32.65 2.743 4 1.6 -6 1 12 47.85 1.901 4 1.2

DO

NU

TD

-1

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

EAB Bellbergite

CHEMICAL COMPOSITION: |Ba0.26Na0.72K1.33Ca5.32Sr2.36(H2O)30| [Si18.36Al17.55O72]Bellberg Volcano, Eifel, Germany

REFINED COMPOSITION: |K2Ca6Sr2(H2O)30| [Si18.45Al17.55O72]

CRYSTAL DATA: P63/mmc (No. 194)a = 13.244 A b = 13.244 A c = 15.988 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: B. Rudinger, E. Tillmanns and G. Hentschel,Mineralogy and Petrology 48 147–152 (1993).


1 0 0 7.71 11.470 6 16.4 3 1 3 32.79 2.731 24 0.30 5 0 3 42.92 2.107 12 0.281 0 1 9.49 9.320 12 42.6 4 0 2 33.19 2.699 12 20.1 4 2 2 43.25 2.092 24 0.080 0 2 11.07 7.994 2 5.0 0 0 6 33.63 2.665 2 6.3 2 2 6 43.60 2.076 12 0.031 1 0 13.37 6.622 6 0.56 3 2 0 34.07 2.631 12 0.62 5 1 0 43.95 2.060 12 0.661 0 2 13.50 6.558 12 100.0 3 2 1 34.54 2.596 24 1.4 5 1 1 44.33 2.043 24 0.282 0 0 15.45 5.735 6 2.5 1 0 6 34.56 2.596 12 3.8 3 1 6 44.34 2.043 24 0.422 0 1 16.42 5.398 12 13.6 2 1 5 34.86 2.573 24 27.6 3 2 5 44.59 2.032 24 3.31 1 2 17.39 5.100 12 1.00 2 2 4 35.20 2.550 12 2.8 2 1 7 44.85 2.021 24 0.481 0 3 18.36 4.833 12 10.5 4 0 3 35.55 2.525 12 0.20 4 2 3 45.16 2.008 24 0.552 0 2 19.05 4.660 12 8.1 4 1 0 35.88 2.503 12 19.1 0 0 8 45.38 1.998 2 7.42 1 0 20.49 4.335 12 0.30 3 2 2 35.93 2.499 24 0.04 5 1 2 45.47 1.995 24 1.52 1 1 21.23 4.184 24 38.6 3 1 4 36.08 2.489 24 17.7 5 0 4 45.59 1.990 12 4.70 0 4 22.24 3.997 2 8.0 4 1 1 36.33 2.473 24 3.8 4 1 5 46.05 1.971 24 0.012 0 3 22.78 3.904 12 0.01 1 1 6 36.34 2.472 12 0.56 1 0 8 46.10 1.969 12 1.13 0 0 23.27 3.823 6 78.1 3 0 5 36.64 2.453 12 5.9 3 0 7 46.30 1.961 12 0.452 1 2 23.34 3.811 24 23.9 2 0 6 37.21 2.417 12 1.2 4 0 6 46.52 1.952 12 3.21 0 4 23.57 3.774 12 59.8 4 1 2 37.66 2.389 24 1.3 3 3 4 47.03 1.932 12 2.13 0 1 23.93 3.718 12 0.03 3 2 3 38.14 2.359 24 2.7 5 1 3 47.31 1.921 24 0.023 0 2 25.83 3.449 12 5.1 4 0 4 38.64 2.330 12 2.4 1 1 8 47.52 1.913 12 0.211 1 4 26.04 3.422 12 0.44 5 0 0 39.27 2.294 6 0.02 6 0 0 47.57 1.912 6 0.172 1 3 26.50 3.363 24 0.50 2 1 6 39.70 2.270 24 7.0 4 2 4 47.73 1.905 24 1.72 2 0 26.93 3.311 6 1.1 4 1 3 39.79 2.265 24 0.05 6 0 1 47.93 1.898 12 0.212 0 4 27.19 3.279 12 0.97 3 1 5 39.98 2.255 24 0.94 2 0 8 48.22 1.887 12 0.013 1 0 28.05 3.181 12 0.05 1 0 7 40.26 2.240 12 0.37 4 3 0 48.26 1.886 12 0.023 1 1 28.61 3.120 24 17.5 3 3 0 40.88 2.207 6 34.8 4 3 1 48.62 1.873 24 1.53 0 3 28.74 3.107 12 0.96 5 0 2 40.93 2.205 12 0.32 3 2 6 48.63 1.872 24 2.61 0 5 28.99 3.080 12 4.5 3 2 4 41.07 2.198 24 4.5 5 0 5 48.86 1.864 12 0.022 2 2 29.19 3.059 12 0.38 3 0 6 41.30 2.186 12 10.2 6 0 2 48.99 1.859 12 0.533 1 2 30.24 2.956 24 13.4 4 2 0 41.67 2.168 12 0.58 5 2 0 49.64 1.837 12 0.362 1 4 30.42 2.939 24 21.1 4 2 1 42.07 2.148 24 1.1 4 3 2 49.68 1.835 24 5.74 0 0 31.19 2.867 6 0.55 4 0 5 42.34 2.135 12 1.3 5 1 4 49.80 1.831 24 0.234 0 1 31.70 2.822 12 35.0 3 3 2 42.48 2.128 12 1.1 5 2 1 49.99 1.825 24 0.592 0 5 32.05 2.793 12 6.5 2 0 7 42.61 2.122 12 0.13 4 1 6 49.99 1.824 24 13.23 0 4 32.40 2.763 12 3.1 4 1 4 42.62 2.121 24 4.2

EAB

Bellb

ergite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

EAB (Na, Tetramethylammonium)-E

CHEMICAL COMPOSITION: |Na8.1((CH3)4N)2.2(H2O)25| [Si26.6Al9.4O72](CH3)4N = tetramethylammonium



X-ray powder refinement, R = 0.19

REFERENCE: W. M. Meier and M. Groner,J. Solid State Chem. 37 204–218 (1981).


1 0 0 7.69 11.501 6 2.5 3 1 3 33.18 2.700 24 0.11 3 0 6 42.76 2.115 12 1.91 0 1 9.64 9.174 12 64.2 3 0 4 33.18 2.700 12 1.6 5 0 3 43.19 2.095 12 0.150 0 2 11.64 7.605 2 13.0 4 0 2 33.31 2.689 12 21.8 4 1 4 43.19 2.095 24 0.341 1 0 13.33 6.640 6 46.9 2 0 5 33.32 2.689 12 0.88 4 2 2 43.29 2.090 24 1.01 0 2 13.96 6.344 12 15.4 3 2 0 33.98 2.638 12 0.89 4 0 5 43.30 2.090 12 3.22 0 0 15.41 5.750 6 0.72 3 2 1 34.50 2.600 24 8.4 5 1 0 43.83 2.066 12 0.112 0 1 16.48 5.379 12 12.9 4 1 0 35.78 2.510 12 12.2 5 1 1 44.25 2.047 24 1.11 1 2 17.73 5.002 12 0.56 4 0 3 35.91 2.501 12 2.6 2 0 7 44.58 2.033 12 0.231 0 3 19.13 4.639 12 1.9 2 2 4 35.91 2.501 12 3.5 2 2 6 44.99 2.015 12 0.862 0 2 19.35 4.587 12 41.0 3 2 2 36.03 2.493 24 3.2 4 2 3 45.40 1.998 24 0.712 1 0 20.43 4.347 12 4.8 2 1 5 36.04 2.492 24 3.3 5 1 2 45.50 1.993 24 4.32 1 1 21.26 4.180 24 57.3 4 1 1 36.28 2.476 24 0.07 5 0 4 46.12 1.968 12 3.83 0 0 23.20 3.834 6 28.4 1 0 6 36.29 2.476 12 4.8 2 1 7 46.74 1.944 24 0.632 0 3 23.39 3.803 12 6.4 3 1 4 36.78 2.444 24 1.7 4 1 5 46.93 1.936 24 0.600 0 4 23.39 3.802 2 5.6 4 1 2 37.75 2.383 24 0.71 6 0 0 47.43 1.917 6 0.072 1 2 23.57 3.774 24 100.0 1 1 6 37.99 2.368 12 0.60 5 1 3 47.53 1.913 24 0.353 0 1 23.94 3.717 12 2.7 3 2 3 38.46 2.341 24 2.0 3 3 4 47.53 1.913 12 2.41 0 4 24.66 3.610 12 61.3 2 0 6 38.82 2.320 12 0.04 6 0 1 47.83 1.902 12 0.273 0 2 26.03 3.423 12 1.2 5 0 0 39.16 2.300 6 0.98 0 0 8 47.84 1.901 2 9.12 2 0 26.85 3.320 6 5.4 4 0 4 39.28 2.293 12 0.23 4 3 0 48.12 1.891 12 0.332 1 3 27.02 3.300 24 15.5 5 0 1 39.63 2.274 12 0.12 3 0 7 48.13 1.890 12 0.111 1 4 27.02 3.300 12 3.5 4 1 3 40.09 2.249 24 3.5 4 2 4 48.23 1.887 24 0.063 1 0 27.97 3.190 12 1.7 3 3 0 40.77 2.213 6 9.4 4 3 1 48.52 1.876 24 0.482 0 4 28.13 3.172 12 6.5 5 0 2 40.99 2.202 12 0.45 1 0 8 48.53 1.876 12 0.073 1 1 28.59 3.122 24 1.7 3 1 5 41.00 2.201 24 5.7 6 0 2 49.01 1.859 12 0.023 0 3 29.20 3.058 12 2.7 2 1 6 41.22 2.190 24 0.53 5 2 0 49.49 1.842 12 4.62 2 2 29.35 3.043 12 3.6 4 2 0 41.55 2.173 12 0.28 4 3 2 49.69 1.835 24 1.01 0 5 30.39 2.941 12 10.2 3 2 4 41.66 2.168 24 0.07 5 0 5 49.69 1.835 12 2.14 0 0 31.10 2.875 6 4.7 4 2 1 41.99 2.152 24 1.9 5 2 1 49.88 1.828 24 1.12 1 4 31.25 2.862 24 35.8 1 0 7 42.33 2.135 12 0.13 3 2 6 49.89 1.828 24 4.24 0 1 31.67 2.825 12 56.3 3 3 2 42.54 2.125 12 5.3 1 1 8 49.89 1.828 12 1.8

EAB

(Na,

Tetram

ethylamm

onium)-E

504030201002 theta (°)

70

60

50

40

30

20

10

0

EDI Edingtonite

CHEMICAL COMPOSITION: |Ba2(H2O)7| [Si6Al4O20]Bathurst, New Brunswick, Canada

REFINED COMPOSITION: |Ba1.95(H2O)7| [Si6Al4O20]


Neutron single crystal refinement, Rw = 0.070, RF2 = 0.055

REFERENCE: A. Kvick and J. V. Smith,J. Chem. Phys. 79 2356–2362 (1983).


1 1 0 13.05 6.784 4 1.4 0 2 2 33.20 2.698 4 0.39 1 0 3 42.74 2.116 4 2.80 0 1 13.60 6.509 2 90.4 2 0 2 33.33 2.688 4 0.56 1 1 3 43.81 2.067 8 16.30 1 1 16.43 5.396 4 34.9 2 3 0 33.60 2.667 4 5.2 2 3 2 43.89 2.063 8 8.01 0 1 16.49 5.376 4 46.3 3 2 0 33.76 2.655 4 5.9 3 2 2 44.02 2.057 8 7.60 2 0 18.39 4.826 2 53.7 1 2 2 34.55 2.596 8 41.2 2 4 1 44.32 2.044 8 6.92 0 0 18.61 4.768 2 43.7 2 1 2 34.64 2.590 8 49.6 4 2 1 44.62 2.031 8 6.91 1 1 18.89 4.697 8 86.1 2 3 1 36.41 2.468 8 6.0 0 2 3 45.86 1.979 4 3.71 2 0 20.63 4.306 4 9.0 3 2 1 36.55 2.458 8 7.8 2 0 3 45.95 1.975 4 5.32 1 0 20.78 4.275 4 4.0 0 4 0 37.27 2.413 2 1.5 0 4 2 46.87 1.938 4 0.030 2 1 22.94 3.876 4 5.6 4 0 0 37.73 2.384 2 1.4 1 2 3 46.89 1.938 8 8.42 0 1 23.12 3.847 4 1.6 2 2 2 38.33 2.348 8 2.9 2 1 3 46.96 1.935 8 8.41 2 1 24.79 3.591 8 100.0 0 3 2 39.38 2.288 4 35.2 4 0 2 47.26 1.923 4 0.202 1 1 24.92 3.573 8 86.7 3 0 2 39.63 2.274 4 29.6 3 4 0 47.30 1.922 4 1.42 2 0 26.27 3.392 4 20.6 0 4 1 39.85 2.262 4 3.1 4 3 0 47.46 1.916 4 2.10 0 2 27.40 3.254 2 11.1 3 3 0 39.87 2.261 4 34.2 1 4 2 47.89 1.899 8 7.40 1 2 28.95 3.084 4 15.0 4 0 1 40.28 2.239 4 2.5 1 5 0 48.09 1.892 4 2.01 0 2 28.99 3.080 4 13.3 1 3 2 40.55 2.225 8 1.7 4 1 2 48.25 1.886 8 8.51 3 0 29.30 3.048 4 29.3 3 1 2 40.76 2.213 8 1.9 5 1 0 48.66 1.871 4 1.93 1 0 29.58 3.019 4 30.2 1 4 1 41.00 2.201 8 20.9 3 3 2 49.06 1.857 8 2.02 2 1 29.70 3.008 8 20.8 4 1 1 41.40 2.181 8 18.0 0 5 1 49.24 1.851 4 5.71 1 2 30.46 2.934 8 35.5 0 0 3 41.62 2.170 2 4.7 3 4 1 49.45 1.843 8 10.40 3 1 31.01 2.884 4 1.2 2 4 0 41.96 2.153 4 12.6 4 3 1 49.61 1.838 8 11.33 0 1 31.31 2.857 4 1.5 4 2 0 42.28 2.138 4 13.8 5 0 1 49.82 1.830 4 5.81 3 1 32.43 2.761 8 84.4 3 3 1 42.31 2.136 8 12.3 2 2 3 49.89 1.828 8 18.13 1 1 32.69 2.739 8 91.2 0 1 3 42.71 2.117 4 3.0

ED

IEdingtonite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

EMT EMC-2, Calcined

CHEMICAL COMPOSITION: |Na8.3(H2O)6| [Si76Al20O192]

REFINED COMPOSITION: |Na8.3(H2O)6| [Si76.03Al19.97O192]



REFERENCE: Ch. Baerlocher, L. B. McCusker and R. Chiappetta,Microporous and Mesoporous Materials 2 269–280 (1994).


1 0 0 5.87 15.057 6 100.0 3 2 1 25.98 3.429 24 0.06 6 0 3 37.06 2.425 12 0.230 0 2 6.24 14.173 2 41.5 3 1 5 26.51 3.362 24 1.4 4 3 3 37.56 2.395 24 0.071 0 1 6.65 13.297 12 29.6 3 2 2 26.56 3.356 24 0.33 6 0 4 38.04 2.366 12 0.361 0 2 8.57 10.320 12 0.22 4 1 0 27.14 3.286 12 1.7 0 0 12 38.10 2.362 2 0.411 1 0 10.18 8.693 6 9.9 1 1 8 27.18 3.281 12 2.1 1 0 12 38.58 2.334 12 0.071 0 3 11.05 8.003 12 12.7 3 2 3 27.49 3.244 24 0.92 4 2 7 38.67 2.328 24 0.082 0 0 11.75 7.529 6 2.7 3 0 7 28.32 3.152 12 0.26 6 0 5 39.26 2.295 12 0.711 1 2 11.94 7.410 12 6.1 3 1 6 28.53 3.129 24 0.25 4 1 9 39.64 2.274 24 0.072 0 1 12.16 7.276 12 1.5 3 2 4 28.75 3.105 24 1.6 6 1 3 40.42 2.231 24 0.100 0 4 12.49 7.086 2 0.35 4 1 3 28.77 3.103 24 0.08 4 2 8 40.66 2.219 24 0.132 0 2 13.32 6.649 12 0.66 5 0 0 29.66 3.011 6 0.14 2 1 12 41.38 2.182 24 0.071 0 4 13.81 6.412 12 2.1 2 1 8 29.70 3.008 24 0.07 5 0 9 41.49 2.177 12 0.082 0 3 15.05 5.888 12 0.60 5 0 1 29.84 2.995 12 0.14 4 4 0 41.55 2.173 6 0.502 1 0 15.57 5.691 12 7.0 5 0 2 30.34 2.946 12 0.19 1 0 13 41.86 2.158 12 0.072 1 1 15.88 5.580 24 3.8 2 0 9 30.77 2.906 12 0.28 5 1 8 42.03 2.150 24 0.331 0 5 16.71 5.306 12 1.2 3 3 0 30.86 2.898 6 1.3 6 1 5 42.47 2.128 24 0.132 1 2 16.79 5.281 24 0.77 3 0 8 30.89 2.895 12 1.4 7 0 2 42.51 2.127 12 0.102 0 4 17.18 5.160 12 6.1 5 0 3 31.17 2.869 12 3.4 4 0 11 42.51 2.126 12 0.613 0 0 17.67 5.019 6 0.07 3 3 2 31.51 2.839 12 0.20 4 3 7 42.82 2.112 24 0.403 0 1 17.95 4.942 12 0.13 0 0 10 31.56 2.835 2 1.6 5 3 3 43.13 2.097 24 0.142 1 3 18.20 4.875 24 2.5 4 2 1 31.60 2.831 24 0.22 7 0 3 43.13 2.097 12 0.093 0 2 18.76 4.731 12 1.4 4 2 2 32.08 2.790 24 0.55 2 0 13 43.19 2.094 12 0.120 0 6 18.78 4.724 2 0.15 3 2 6 32.10 2.788 24 0.34 4 4 4 43.56 2.078 12 0.082 0 5 19.60 4.529 12 0.38 1 0 10 32.13 2.786 12 0.33 2 2 12 43.61 2.075 12 0.071 0 6 19.69 4.508 12 1.0 5 0 4 32.30 2.772 12 1.5 6 2 2 43.82 2.066 24 0.292 1 4 20.01 4.437 24 0.69 2 1 9 32.49 2.756 24 0.08 7 0 4 43.99 2.058 12 0.083 0 3 20.03 4.432 12 0.13 2 2 8 32.60 2.746 12 0.97 6 0 8 44.23 2.048 12 0.472 2 0 20.43 4.347 6 3.8 4 2 3 32.87 2.725 24 0.33 6 2 3 44.43 2.039 24 0.263 1 0 21.28 4.176 12 0.07 5 1 0 33.13 2.704 12 0.28 4 3 8 44.66 2.029 24 0.082 2 2 21.38 4.156 12 0.09 3 1 8 33.16 2.702 24 0.60 4 1 11 44.69 2.028 24 0.101 1 6 21.41 4.151 12 0.29 1 1 10 33.24 2.695 12 0.23 5 3 6 46.38 1.958 24 0.073 1 1 21.51 4.131 24 0.15 5 0 5 33.70 2.659 12 0.65 2 0 14 46.44 1.955 12 0.172 1 5 22.13 4.016 24 0.99 5 1 2 33.74 2.656 24 0.23 3 1 13 47.01 1.933 24 0.212 0 6 22.21 4.002 12 1.5 2 0 10 33.79 2.653 12 0.10 7 1 4 47.35 1.920 24 0.161 0 7 22.74 3.910 12 2.0 4 2 4 33.95 2.641 24 1.2 6 3 0 47.95 1.897 12 0.343 1 3 23.29 3.820 24 4.4 3 2 7 34.12 2.628 24 0.61 5 4 3 48.17 1.889 24 0.254 0 0 23.63 3.764 6 2.1 5 1 3 34.50 2.600 24 1.9 7 1 5 48.38 1.881 24 0.064 0 1 23.85 3.732 12 0.70 4 1 7 35.17 2.551 24 0.20 1 0 15 48.55 1.875 12 0.144 0 2 24.47 3.638 12 0.35 1 0 11 35.34 2.540 12 0.36 5 1 11 48.82 1.866 24 0.292 1 6 24.49 3.635 24 0.14 5 0 6 35.35 2.539 12 0.08 5 4 4 48.96 1.860 24 0.113 1 4 24.75 3.598 24 2.1 2 1 10 35.38 2.537 24 0.09 5 0 12 49.01 1.859 12 0.082 0 7 24.97 3.566 12 0.33 6 0 0 35.78 2.510 6 0.11 5 2 10 49.64 1.837 24 0.113 2 0 25.79 3.454 12 0.68 6 0 1 35.92 2.500 12 0.07 7 2 1 49.66 1.836 24 0.121 0 8 25.83 3.449 12 0.74 5 1 5 36.82 2.441 24 0.09 2 2 14 49.67 1.835 12 0.073 0 6 25.90 3.440 12 0.17 2 0 11 36.87 2.438 12 0.07 2 0 15 49.74 1.833 12 0.07

EM

TEM

C-2,

Calcined

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

EMT EMC-2, Partially Dehydrated

CHEMICAL COMPOSITION: |Na20(C12H24O6)4(H2O)22.6| [Si76Al20O192]C12H24O6 = 1,4,7,10,13,16-hexaoxacyclooctadecane (18-crown-6 ether)

REFINED COMPOSITION: |Na20C60O24(H2O)22.6| [Si76.03Al19.97O192]





1 0 0 5.87 15.046 6 100.0 4 1 0 27.16 3.283 12 3.3 4 2 7 38.68 2.328 24 0.220 0 2 6.23 14.182 2 41.3 1 1 8 27.16 3.283 12 2.4 6 1 0 39.26 2.295 12 0.121 0 1 6.65 13.292 12 9.8 3 2 3 27.51 3.243 24 0.95 5 0 8 39.27 2.294 12 0.181 0 2 8.57 10.320 12 3.4 4 1 2 27.89 3.199 24 0.38 6 0 5 39.28 2.294 12 1.31 1 0 10.18 8.687 6 1.1 3 2 4 28.76 3.104 24 3.0 3 0 11 39.29 2.293 12 0.161 0 3 11.05 8.006 12 4.0 2 1 8 29.69 3.009 24 0.77 4 1 9 39.64 2.274 24 0.182 0 0 11.76 7.523 6 4.0 5 0 2 30.36 2.944 12 0.54 4 3 5 39.75 2.267 24 0.131 1 2 11.95 7.408 12 7.3 2 0 9 30.76 2.907 12 0.70 6 1 3 40.45 2.230 24 0.162 0 1 12.17 7.272 12 1.8 3 3 0 30.88 2.896 6 1.4 4 2 8 40.67 2.218 24 0.160 0 4 12.48 7.091 2 0.12 3 0 8 30.88 2.895 12 2.1 5 2 5 40.68 2.218 24 0.122 0 2 13.32 6.646 12 0.50 5 0 3 31.19 2.868 12 5.0 3 2 10 41.19 2.192 24 0.192 0 3 15.05 5.887 12 0.71 3 3 2 31.53 2.837 12 0.55 6 1 4 41.36 2.183 24 0.182 1 0 15.58 5.687 12 8.1 0 0 10 31.54 2.836 2 1.6 4 4 0 41.58 2.172 6 0.882 1 1 15.89 5.576 24 2.4 4 2 1 31.62 2.829 24 1.0 1 0 13 41.83 2.159 12 0.141 1 4 16.13 5.493 12 0.16 4 2 2 32.10 2.788 24 0.64 5 1 8 42.04 2.149 24 0.461 0 5 16.70 5.308 12 5.1 3 2 6 32.11 2.788 24 0.55 6 1 5 42.50 2.127 24 0.382 1 2 16.80 5.278 24 0.81 1 0 10 32.11 2.787 12 1.1 4 0 11 42.50 2.127 12 1.22 0 4 17.18 5.160 12 8.2 5 0 4 32.32 2.770 12 2.9 7 0 2 42.54 2.125 12 0.162 1 3 18.20 4.873 24 1.7 2 1 9 32.48 2.757 24 0.20 4 3 7 42.83 2.111 24 0.843 0 2 18.77 4.728 12 4.5 2 2 8 32.60 2.747 12 2.2 5 3 3 43.16 2.096 24 0.210 0 6 18.77 4.727 2 0.14 4 2 3 32.89 2.723 24 0.52 7 0 3 43.16 2.096 12 0.132 0 5 19.60 4.530 12 0.88 5 1 0 33.15 2.702 12 0.58 2 0 13 43.17 2.096 12 0.301 0 6 19.68 4.510 12 2.6 3 1 8 33.15 2.702 24 0.31 4 4 4 43.58 2.077 12 0.222 1 4 20.01 4.437 24 1.9 1 1 10 33.23 2.696 12 1.1 2 2 12 43.59 2.076 12 0.123 0 3 20.04 4.431 12 0.24 3 3 4 33.42 2.681 12 0.15 3 2 11 43.82 2.066 24 0.152 2 0 20.45 4.344 6 7.6 3 0 9 33.58 2.669 12 0.15 6 2 2 43.86 2.064 24 0.482 2 2 21.39 4.153 12 0.78 5 0 5 33.71 2.658 12 1.9 6 0 8 44.24 2.047 12 0.361 1 6 21.40 4.152 12 0.23 5 1 2 33.76 2.655 24 0.36 6 2 3 44.46 2.038 24 0.303 1 1 21.52 4.129 24 0.79 4 2 4 33.97 2.639 24 1.0 4 3 8 44.67 2.029 24 0.272 1 5 22.13 4.016 24 2.0 3 2 7 34.12 2.628 24 0.86 4 1 11 44.68 2.028 24 0.302 0 6 22.21 4.003 12 2.9 5 1 3 34.52 2.598 24 2.0 5 1 10 46.41 1.957 24 0.151 0 7 22.73 3.913 12 4.5 4 0 8 34.77 2.580 12 0.25 2 0 14 46.41 1.956 12 0.323 1 3 23.30 3.818 24 6.5 4 1 7 35.18 2.551 24 0.70 3 1 13 46.99 1.934 24 0.184 0 0 23.65 3.762 6 3.8 1 0 11 35.31 2.542 12 0.65 7 1 4 47.38 1.919 24 0.263 0 5 23.68 3.758 12 0.30 2 1 10 35.36 2.538 24 0.30 4 1 12 47.39 1.918 24 0.134 0 1 23.86 3.729 12 1.3 5 1 4 35.55 2.525 24 0.27 7 0 7 47.91 1.899 12 0.154 0 2 24.48 3.636 12 0.70 6 0 0 35.81 2.508 6 0.68 6 3 0 47.99 1.896 12 0.373 1 4 24.75 3.597 24 5.5 6 0 2 36.38 2.469 12 0.34 5 4 3 48.21 1.888 24 0.253 2 0 25.81 3.452 12 0.64 5 1 5 36.84 2.440 24 0.32 7 1 5 48.41 1.880 24 0.151 0 8 25.82 3.451 12 1.3 6 0 3 37.09 2.424 12 0.24 1 0 15 48.52 1.876 12 0.123 0 6 25.90 3.440 12 0.22 5 2 0 37.32 2.409 12 0.30 5 1 11 48.81 1.866 24 0.283 2 1 26.00 3.427 24 0.13 4 3 3 37.58 2.393 24 0.27 4 3 10 48.85 1.864 24 0.153 1 5 26.52 3.362 24 1.5 6 0 4 38.06 2.364 12 0.52 5 0 12 49.00 1.859 12 0.153 2 2 26.58 3.354 24 0.55 0 0 12 38.07 2.364 2 0.79 4 4 8 49.20 1.852 12 0.134 0 4 26.83 3.323 12 0.17 1 0 12 38.55 2.335 12 0.43 7 0 8 49.59 1.838 12 0.15

EM

TEM

C-2,

Partially

Dehydrated

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

EON TNU-7

CHEMICAL COMPOSITION: |Na13.2| [Ga13.2Si50.8O128]

REFINED COMPOSITION: |Na11.7| [Ga12.36Si47.64]

CRYSTAL DATA: Pmmn (No. 59; origin at centre 1)a = 7.5789 A b = 18.089 A c = 25.853 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: S. J. Warrender, P. A. Wright, W. Zhou, P. Lightfoot, M. A. Camblor,C-H. Shin, D. J. Kim and S. B. Hong, Chem. Mater. 17 1272–1274 (2005).M. E. Leonowicz and D. E. W. Vaughan,Nature 329 819–821 (1987);


0 0 1 3.42 25.853 2 4.0 2 1 2 24.98 3.565 8 8.6 2 3 6 34.86 2.573 8 4.00 1 1 5.96 14.821 4 69.1 0 3 6 25.41 3.506 4 4.1 2 5 2 34.98 2.565 8 0.640 0 2 6.84 12.927 2 22.3 2 2 0 25.48 3.495 4 29.1 0 7 2 35.42 2.534 4 1.000 1 2 8.41 10.517 4 75.8 1 3 5 25.56 3.485 8 0.93 3 0 1 35.71 2.514 4 0.830 2 0 9.78 9.045 2 100.0 2 2 1 25.72 3.464 8 7.6 2 5 3 35.86 2.504 8 2.50 0 3 10.26 8.618 2 17.3 1 2 6 25.74 3.461 8 2.5 3 1 1 36.06 2.490 8 3.50 2 1 10.36 8.537 4 12.9 0 2 7 26.06 3.419 4 1.5 0 2 10 36.13 2.486 4 3.90 1 3 11.37 7.780 4 56.7 2 1 3 26.16 3.407 8 11.6 3 0 2 36.23 2.479 4 1.000 2 2 11.94 7.411 4 20.3 0 4 5 26.18 3.404 4 1.2 0 7 3 36.29 2.475 4 0.771 0 1 12.17 7.273 4 3.5 2 0 4 27.28 3.269 4 2.6 0 6 6 36.37 2.470 4 1.21 1 0 12.66 6.990 4 1.2 1 1 7 27.31 3.266 8 0.84 1 6 5 36.48 2.463 8 2.11 1 1 13.12 6.748 8 67.5 1 5 0 27.32 3.265 4 1.5 2 3 7 37.12 2.422 8 3.61 0 2 13.54 6.538 4 17.5 1 5 1 27.54 3.239 8 7.4 0 3 10 37.86 2.376 4 0.670 0 4 13.70 6.463 2 1.8 0 0 8 27.60 3.232 2 9.2 2 2 8 37.92 2.373 8 1.70 2 3 14.20 6.239 4 3.3 2 3 1 28.02 3.184 8 0.67 0 0 11 38.30 2.350 2 0.971 1 2 14.40 6.149 8 1.7 0 1 8 28.05 3.181 4 1.3 2 6 1 38.31 2.349 8 1.50 3 1 15.09 5.872 4 18.8 1 5 2 28.19 3.165 8 8.4 2 3 8 39.58 2.277 8 1.61 2 1 15.63 5.668 8 0.65 0 5 4 28.27 3.157 4 14.5 2 1 9 39.69 2.271 8 1.81 2 2 16.73 5.299 8 5.7 0 3 7 28.34 3.149 4 16.1 0 4 10 40.18 2.244 4 1.30 2 4 16.86 5.259 4 2.8 1 2 7 28.64 3.117 8 1.7 2 5 6 40.32 2.237 8 1.80 1 5 17.84 4.971 4 3.9 2 3 2 28.67 3.114 8 0.99 2 6 4 40.71 2.216 8 0.680 3 3 17.95 4.940 4 0.92 2 2 4 29.04 3.074 8 1.3 2 6 5 42.10 2.146 8 0.631 0 4 18.04 4.918 4 2.0 2 0 5 29.22 3.056 4 1.9 2 0 10 42.32 2.136 4 1.31 2 3 18.42 4.817 8 1.5 1 5 3 29.25 3.053 8 0.97 3 2 6 42.67 2.119 8 0.661 1 4 18.70 4.746 8 1.3 0 2 8 29.35 3.043 4 3.6 1 6 8 42.72 2.117 8 1.41 3 0 18.81 4.719 4 5.3 0 6 0 29.63 3.015 2 2.5 3 4 4 43.35 2.087 8 1.20 2 5 19.78 4.489 4 0.80 2 3 3 29.71 3.007 8 3.4 2 7 3 43.68 2.072 8 0.701 3 2 20.03 4.432 8 5.9 0 6 1 29.84 2.995 4 1.3 0 3 12 44.66 2.029 4 0.880 3 4 20.14 4.409 4 15.9 1 0 8 30.06 2.973 4 6.9 2 7 4 44.70 2.027 8 1.31 2 4 20.56 4.320 8 3.6 0 6 2 30.44 2.936 4 1.2 0 8 6 45.29 2.002 4 2.10 0 6 20.61 4.309 2 1.8 1 5 4 30.68 2.914 8 8.4 1 8 5 45.38 1.998 8 0.840 4 2 20.81 4.269 4 2.4 2 4 0 30.78 2.905 4 11.3 0 0 13 45.62 1.989 2 2.40 1 6 21.20 4.192 4 15.2 2 2 5 30.88 2.896 8 6.6 3 5 4 46.01 1.972 8 1.01 1 5 21.37 4.157 8 4.4 1 4 6 31.00 2.885 8 1.0 3 4 6 46.24 1.963 8 1.91 2 5 23.03 3.862 8 2.8 2 3 4 31.12 2.874 8 3.1 0 6 10 46.26 1.963 4 1.91 4 1 23.16 3.840 8 1.7 0 0 9 31.13 2.873 2 1.2 1 3 12 46.33 1.960 8 0.661 3 4 23.34 3.811 8 7.1 0 4 7 31.27 2.861 4 0.66 2 4 10 47.06 1.931 8 1.72 0 0 23.48 3.789 2 8.4 0 3 8 31.41 2.848 4 1.7 0 8 7 47.13 1.928 4 0.981 0 6 23.75 3.746 4 0.96 1 5 5 32.43 2.761 8 3.1 1 5 11 47.68 1.907 8 0.721 4 2 23.93 3.719 8 4.2 2 2 6 33.00 2.714 8 3.9 4 0 0 48.02 1.895 2 7.00 4 4 24.02 3.705 4 3.5 1 0 9 33.36 2.686 4 0.98 0 3 13 48.18 1.889 4 0.942 1 1 24.24 3.671 8 4.3 1 6 3 33.64 2.664 8 3.1 3 1 9 48.23 1.887 8 0.761 1 6 24.26 3.668 8 3.0 1 1 9 33.73 2.657 8 2.3 1 4 12 48.31 1.884 8 0.582 0 2 24.48 3.636 4 2.4 2 1 7 34.26 2.617 8 0.63 3 5 6 48.78 1.867 8 1.000 1 7 24.60 3.619 4 5.8 2 5 1 34.45 2.603 8 2.0 0 5 12 49.22 1.851 4 0.70

EO

NT

NU

-7

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

EPI Epistilbite

CHEMICAL COMPOSITION: |Na1.06K0.1Ca2.59(H2O)15.74| [Si17.71Al6.29O48]Teigarhorn, Iceland

REFINED COMPOSITION: |Na1.04Ca2.56(H2O)15.75| [Si17.76Al6.24O48]



REFERENCE: A. J. Perrotta,Mineral. Mag. 36 480–490 (1967).


0 2 0 9.97 8.870 2 53.4 2 2 1 32.80 2.730 4 0.22 -4 0 1 43.22 2.093 2 3.20 0 1 10.48 8.443 2 17.1 -3 3 2 33.26 2.693 4 12.6 3 1 1 43.59 2.076 4 0.05

-1 1 1 11.58 7.642 4 4.6 1 3 2 33.34 2.687 4 15.2 2 6 1 43.97 2.059 4 0.671 1 0 12.84 6.892 4 70.0 0 2 3 33.40 2.683 4 6.3 -4 2 4 43.97 2.059 4 3.00 2 1 14.48 6.116 4 1.5 -2 4 3 33.63 2.665 4 4.0 0 2 4 44.10 2.053 4 3.5

-1 1 2 18.02 4.924 4 73.6 -2 0 4 35.02 2.562 2 12.6 3 5 0 44.41 2.040 4 0.65-1 3 1 18.30 4.848 4 12.7 -3 3 3 35.23 2.547 4 5.4 0 6 3 44.44 2.039 4 0.801 3 0 19.13 4.639 4 9.3 -2 6 1 36.38 2.469 4 0.08 -4 2 1 44.47 2.037 4 0.59

-2 0 1 19.78 4.489 2 15.4 3 1 0 36.39 2.469 4 1.9 -2 0 5 44.63 2.030 2 3.30 4 0 20.02 4.435 2 4.5 -2 2 4 36.50 2.462 4 7.8 -3 1 5 44.90 2.019 4 4.21 1 1 20.45 4.342 4 37.7 -1 7 1 37.03 2.428 4 0.62 -1 7 3 44.95 2.016 4 1.0

-2 0 2 20.98 4.234 2 2.4 -1 5 3 37.03 2.428 4 11.8 -3 5 4 45.27 2.003 4 1.40 0 2 21.04 4.222 2 0.29 -2 6 2 37.09 2.424 4 8.0 -4 4 2 45.28 2.003 4 8.0

-2 2 1 22.19 4.006 4 12.6 0 6 2 37.12 2.422 4 0.48 -1 5 4 45.34 2.000 4 0.710 4 1 22.65 3.926 4 13.3 2 4 1 37.32 2.409 4 2.8 2 4 2 45.37 1.999 4 3.8

-1 3 2 22.96 3.873 4 100.0 -3 1 4 37.41 2.404 4 1.5 -2 8 1 45.63 1.988 4 0.38-2 2 2 23.28 3.821 4 11.0 1 7 0 37.47 2.400 4 0.28 -2 2 5 45.85 1.979 4 0.470 2 2 23.34 3.812 4 32.9 -1 1 4 37.48 2.400 4 1.5 3 3 1 46.05 1.971 4 1.32 0 0 23.79 3.740 2 14.8 0 4 3 37.86 2.376 4 0.34 -2 8 2 46.21 1.964 4 1.41 3 1 24.94 3.570 4 1.3 2 6 0 38.83 2.319 4 4.4 0 8 2 46.24 1.963 4 3.52 2 0 25.85 3.446 4 83.0 -3 5 2 39.13 2.302 4 0.69 -3 7 2 46.76 1.943 4 3.4

-2 0 3 26.75 3.333 2 10.7 1 5 2 39.20 2.298 4 0.02 1 7 2 46.82 1.940 4 5.3-1 5 1 27.25 3.272 4 16.9 3 3 0 39.21 2.297 4 0.17 -2 6 4 46.92 1.936 4 2.0-1 1 3 27.26 3.272 4 11.5 -1 7 2 39.67 2.272 4 0.16 -3 3 5 47.30 1.922 4 0.131 5 0 27.83 3.206 4 44.5 -4 0 3 39.99 2.254 2 3.9 -1 9 1 47.35 1.920 4 0.03

-2 4 1 28.29 3.155 4 0.28 -3 3 4 40.17 2.245 4 1.6 -4 4 4 47.60 1.910 4 3.7-2 2 3 28.61 3.120 4 0.17 -4 0 2 40.17 2.245 2 0.20 2 8 0 47.68 1.907 4 3.3-2 4 2 29.16 3.062 4 6.6 -1 3 4 40.24 2.241 4 1.2 1 9 0 47.71 1.906 4 2.10 4 2 29.20 3.058 4 0.68 -3 5 1 40.38 2.233 4 0.70 0 4 4 47.72 1.906 4 3.8

-3 1 2 29.96 2.982 4 9.4 1 1 3 40.46 2.230 4 6.7 -3 7 1 47.85 1.901 4 0.471 1 2 30.05 2.974 4 2.9 -2 4 4 40.66 2.219 4 9.7 1 5 3 47.91 1.899 4 0.020 6 0 30.23 2.957 2 2.1 0 8 0 40.69 2.217 2 0.31 -4 0 5 47.93 1.898 2 0.25

-1 5 2 30.65 2.917 4 50.1 -2 6 3 40.80 2.212 4 4.5 -4 4 1 48.06 1.893 4 0.03-1 3 3 30.83 2.901 4 2.1 -3 5 3 40.85 2.209 4 0.98 -3 7 3 48.26 1.886 4 0.132 0 1 31.17 2.870 2 0.65 1 7 1 40.92 2.206 4 0.58 4 0 0 48.70 1.870 2 16.82 4 0 31.29 2.859 4 42.8 -4 2 3 41.32 2.185 4 2.9 -4 2 5 49.08 1.856 4 0.79

-3 1 1 31.53 2.837 4 3.6 -4 2 2 41.50 2.176 4 0.24 -2 8 3 49.36 1.846 4 0.050 0 3 31.79 2.814 2 1.1 2 2 2 41.60 2.171 4 2.6 -2 4 5 49.37 1.846 4 0.440 6 1 32.07 2.791 4 0.72 0 8 1 42.13 2.145 4 0.02 -1 9 2 49.55 1.840 4 3.4

-3 1 3 32.11 2.788 4 15.2 0 0 4 42.84 2.111 2 0.21 4 2 0 49.84 1.830 4 0.051 5 1 32.19 2.781 4 0.61 1 3 3 43.06 2.101 4 4.0

EPI

Epistilbite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

ERI Erionite

CHEMICAL COMPOSITION: |K2.02Na1.94Ca1.25Mg0.63(H2O)10.4| [Si26.16Al9.31Fe0.53O72]Wenatchee, Washington, U.S.A.

REFINED COMPOSITION: |K2Na1.86Ca1.3Mg0.7(H2O)6.12| [Si27Al9O72]



REFERENCE: J. A. Gard and J. M. Tait,in Proceedings of the Third International Conference on Molecular Sieves;

Recent Progress Reports, Zurich,Ed. by J. B. Uytterhoeven (Leuven University Press) 94–99 (1973).


1 0 0 7.69 11.492 6 100.0 1 0 5 30.70 2.912 12 0.46 3 3 2 42.61 2.122 12 1.51 0 1 9.68 9.134 12 23.6 4 0 0 31.13 2.873 6 8.2 1 0 7 42.79 2.113 12 0.250 0 2 11.76 7.525 2 13.3 2 1 4 31.46 2.844 24 18.0 3 0 6 43.11 2.098 12 0.871 1 0 13.34 6.635 6 24.9 4 0 1 31.71 2.822 12 8.1 5 0 3 43.30 2.090 12 0.351 0 2 14.07 6.295 12 6.5 3 1 3 33.30 2.690 24 0.84 4 2 2 43.36 2.087 24 1.12 0 0 15.42 5.746 6 4.6 4 0 2 33.38 2.684 12 4.2 5 1 0 43.86 2.064 12 0.042 0 1 16.51 5.368 12 4.3 2 0 5 33.61 2.666 12 0.87 5 1 1 44.29 2.045 24 0.311 1 2 17.82 4.977 12 0.06 3 2 0 34.00 2.636 12 0.01 2 0 7 45.02 2.014 12 0.081 0 3 19.30 4.598 12 5.3 3 2 1 34.54 2.597 24 0.15 5 1 2 45.57 1.991 24 1.12 0 2 19.44 4.567 12 7.9 0 0 6 35.80 2.508 2 0.89 3 1 6 46.04 1.971 24 0.182 1 0 20.45 4.344 12 11.2 4 1 0 35.81 2.508 12 5.1 5 0 4 46.29 1.961 12 0.712 1 1 21.29 4.173 24 7.1 4 0 3 36.02 2.493 12 0.35 2 1 7 47.17 1.927 24 0.223 0 0 23.22 3.831 6 9.0 2 2 4 36.09 2.488 12 0.76 4 1 5 47.17 1.927 24 0.362 0 3 23.54 3.779 12 1.4 3 2 2 36.10 2.488 24 2.4 6 0 0 47.47 1.915 6 0.030 0 4 23.65 3.762 2 2.2 2 1 5 36.31 2.474 24 1.3 5 1 3 47.64 1.909 24 0.182 1 2 23.65 3.762 24 15.1 4 1 1 36.32 2.474 24 0.24 3 3 4 47.70 1.907 12 0.223 0 1 23.97 3.712 12 0.02 1 0 6 36.67 2.451 12 0.08 4 0 6 48.16 1.890 12 0.891 0 4 24.90 3.576 12 13.3 4 1 2 37.81 2.379 24 0.08 4 3 0 48.16 1.889 12 0.103 0 2 26.10 3.414 12 0.61 1 1 6 38.36 2.346 12 0.26 0 0 8 48.38 1.881 2 2.92 2 0 26.87 3.317 6 4.0 2 0 6 39.19 2.299 12 0.12 4 2 4 48.39 1.881 24 0.222 1 3 27.15 3.284 24 3.7 5 0 0 39.19 2.298 6 0.33 4 3 1 48.57 1.875 24 0.271 1 4 27.25 3.273 12 0.98 4 0 4 39.46 2.283 12 0.27 1 0 8 49.07 1.857 12 0.873 1 0 27.99 3.187 12 0.77 5 0 1 39.67 2.272 12 0.41 6 0 2 49.08 1.856 12 0.052 0 4 28.35 3.148 12 6.5 4 1 3 40.20 2.243 24 0.42 5 2 0 49.53 1.840 12 1.43 1 1 28.63 3.118 24 0.67 3 3 0 40.80 2.212 6 1.7 4 3 2 49.76 1.832 24 0.203 0 3 29.33 3.045 12 0.04 5 0 2 41.06 2.198 12 0.39 5 0 5 49.92 1.827 12 0.582 2 2 29.42 3.036 12 0.01 3 1 5 41.25 2.188 24 0.013 1 2 30.46 2.935 24 0.87 2 1 6 41.57 2.172 24 0.06

ERI

Erionite

504030201002 theta (°)

25

20

15

10

5

0

ERI Piperidine AlPO–17

CHEMICAL COMPOSITION: |(C5H10NH)4(H2O)4| [Al18P18O72]C5H10NH = piperidine

REFINED COMPOSITION: |C24O4.14| [Al18P18O72]

CRYSTAL DATA: P63/m (No. 176)a = 13.2371 A b = 13.2371 A c = 14.7708 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: J. J. Pluth, J. V. Smith and J. M. Bennett,Acta Cryst. C42 283–286 (1986).


1 0 0 7.71 11.464 6 100.0 1 3 3 33.55 2.671 12 0.05 2 4 2 43.53 2.079 12 0.091 0 1 9.77 9.056 12 44.5 3 1 3 33.55 2.671 12 1.1 5 0 3 43.54 2.078 12 0.860 0 2 11.98 7.385 2 1.7 3 0 4 33.75 2.655 12 0.15 1 0 7 43.61 2.075 12 0.621 1 0 13.38 6.619 6 44.5 2 3 0 34.09 2.630 6 0.07 1 4 4 43.71 2.071 12 0.031 0 2 14.27 6.209 12 8.8 3 2 0 34.09 2.630 6 0.10 3 0 6 43.74 2.070 12 3.41 1 1 14.67 6.040 12 0.49 2 0 5 34.14 2.626 12 0.91 1 5 0 43.98 2.059 6 0.032 0 0 15.46 5.732 6 19.4 2 3 1 34.64 2.589 12 0.03 4 0 5 44.02 2.057 12 0.162 0 1 16.59 5.344 12 8.1 3 2 1 34.64 2.589 12 0.32 5 1 1 44.42 2.039 12 0.091 1 2 18.00 4.929 12 6.6 1 4 0 35.90 2.502 6 0.93 1 5 1 44.42 2.039 12 0.392 0 2 19.60 4.528 12 12.4 4 1 0 35.90 2.502 6 2.2 3 3 3 45.03 2.013 12 0.131 0 3 19.62 4.524 12 15.2 2 3 2 36.26 2.478 12 0.50 1 1 7 45.10 2.010 12 0.131 2 0 20.50 4.333 6 14.6 3 2 2 36.26 2.478 12 0.19 1 5 2 45.75 1.983 12 0.452 1 0 20.50 4.333 6 9.6 4 0 3 36.27 2.477 12 0.17 5 1 2 45.75 1.983 12 1.02 1 1 21.37 4.158 12 4.8 1 4 1 36.43 2.466 12 0.19 4 2 3 45.76 1.983 12 0.031 2 1 21.37 4.158 12 9.8 2 2 4 36.46 2.464 12 0.06 2 0 7 45.82 1.980 12 0.041 1 3 22.51 3.950 12 4.3 0 0 6 36.50 2.462 2 1.8 2 2 6 45.95 1.975 12 0.143 0 0 23.28 3.821 6 7.5 1 2 5 36.82 2.441 12 1.2 3 2 5 46.21 1.964 12 0.012 1 2 23.81 3.737 12 6.5 1 3 4 37.32 2.409 12 0.13 2 3 5 46.21 1.964 12 0.581 2 2 23.81 3.737 12 3.7 3 1 4 37.32 2.409 12 0.33 5 0 4 46.63 1.948 12 1.72 0 3 23.82 3.735 12 1.6 1 0 6 37.36 2.407 12 0.60 1 3 6 46.66 1.947 12 0.020 0 4 24.10 3.693 2 1.4 1 4 2 37.98 2.369 12 0.01 3 1 6 46.66 1.947 12 0.071 0 4 25.34 3.515 12 26.6 4 1 2 37.98 2.369 12 0.36 6 0 0 47.59 1.911 6 0.123 0 2 26.26 3.394 12 0.12 3 0 5 38.52 2.337 12 0.13 4 1 5 47.63 1.909 12 0.282 2 0 26.94 3.309 6 14.7 3 2 3 38.82 2.320 12 0.03 1 4 5 47.63 1.909 12 0.121 2 3 27.42 3.253 12 0.06 2 3 3 38.82 2.320 12 0.14 1 5 3 47.89 1.900 12 0.022 1 3 27.42 3.253 12 6.8 1 1 6 39.04 2.307 12 0.05 5 1 3 47.89 1.900 12 0.182 2 1 27.62 3.229 12 0.45 5 0 0 39.30 2.293 6 0.41 1 2 7 47.95 1.897 12 0.351 1 4 27.66 3.225 12 1.9 5 0 1 39.79 2.266 12 1.0 2 1 7 47.95 1.897 12 0.183 1 0 28.06 3.179 6 0.36 4 0 4 39.81 2.264 12 1.7 6 0 1 48.01 1.895 12 0.021 3 0 28.06 3.179 6 0.59 4 1 3 40.44 2.230 12 0.85 3 3 4 48.04 1.894 12 0.121 3 1 28.72 3.108 12 0.04 1 4 3 40.44 2.230 12 0.55 4 3 0 48.29 1.885 6 0.033 1 1 28.72 3.108 12 1.6 3 3 0 40.90 2.206 6 0.22 4 3 1 48.71 1.869 12 0.332 0 4 28.76 3.104 12 4.9 5 0 2 41.23 2.190 12 0.56 3 4 1 48.71 1.869 12 0.182 2 2 29.58 3.020 12 0.13 3 3 1 41.38 2.182 12 0.18 4 2 4 48.73 1.869 12 0.013 0 3 29.59 3.019 12 0.02 2 4 0 41.69 2.166 6 0.08 2 4 4 48.73 1.869 12 0.021 3 2 30.61 2.920 12 1.2 1 3 5 41.74 2.164 12 0.02 4 0 6 48.76 1.867 12 0.323 1 2 30.61 2.920 12 2.6 3 1 5 41.74 2.164 12 0.13 6 0 2 49.26 1.850 12 0.014 0 0 31.21 2.866 6 8.8 4 2 1 42.16 2.143 12 0.08 3 0 7 49.33 1.847 12 0.041 0 5 31.27 2.861 12 1.1 2 4 1 42.16 2.143 12 0.20 0 0 8 49.36 1.846 2 2.94 0 1 31.81 2.813 12 14.1 3 2 4 42.18 2.142 12 0.16 5 2 0 49.66 1.836 6 2.41 2 4 31.84 2.810 12 4.8 2 3 4 42.18 2.142 12 0.09 2 5 0 49.66 1.836 6 0.932 1 4 31.84 2.810 12 7.0 1 2 6 42.22 2.140 12 0.27 4 3 2 49.94 1.826 12 0.642 2 3 32.60 2.747 12 0.30 2 1 6 42.22 2.140 12 0.20 3 4 2 49.94 1.826 12 1.11 1 5 33.21 2.698 12 0.13 3 3 2 42.78 2.114 12 0.244 0 2 33.54 2.672 12 6.6 4 2 2 43.53 2.079 12 0.37

ERI

Pip

eridineAlP

O–17

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

ESV ERS-7 Framework

CHEMICAL COMPOSITION: [Al1.4Si46.6O96]




REFERENCE: R. Millini, G. Perego, L. Carluccio, G. Bellussi, D. E. Cox, B. J. Campbelland A. K. Cheetham, in Proc. of the 12th International Zeolite Conference,Ed. by M. M. J. Treacy, B. K. Marcus, J. B. Higgins and M. E. Bisher(Materials Research Society: Warrendale) vol. I 541–548 (1999).


0 0 2 7.73 11.430 2 51.5 2 3 0 28.23 3.161 4 1.8 4 0 2 37.54 2.396 4 1.20 1 1 8.11 10.908 4 41.6 0 1 7 28.26 3.158 4 0.40 2 4 4 37.75 2.383 8 1.91 0 1 9.82 9.007 4 91.2 3 0 2 28.42 3.141 4 6.2 0 5 3 38.13 2.360 4 0.491 0 2 11.90 7.440 4 2.7 2 3 1 28.50 3.131 8 2.8 4 1 2 38.26 2.352 8 0.471 1 1 12.14 7.290 8 43.9 3 1 1 28.52 3.129 8 0.94 4 0 3 38.60 2.332 4 0.440 1 3 13.64 6.494 4 100.0 0 4 0 28.77 3.103 2 8.1 3 0 7 39.00 2.310 4 0.501 1 2 13.88 6.381 8 86.5 1 0 7 28.81 3.098 4 12.4 0 0 10 39.41 2.286 2 0.540 2 0 14.27 6.206 2 71.3 1 2 6 28.97 3.082 8 0.70 2 4 5 39.63 2.274 8 0.631 0 3 14.73 6.016 4 13.2 0 3 5 29.11 3.068 4 1.0 2 0 9 39.98 2.255 4 1.00 0 4 15.50 5.715 2 2.0 3 1 2 29.33 3.045 8 3.4 3 4 1 40.28 2.239 8 1.30 2 2 16.25 5.454 4 4.0 2 0 6 29.70 3.008 4 0.98 4 2 2 40.36 2.235 8 0.551 1 3 16.37 5.413 8 9.5 1 1 7 29.72 3.006 8 0.65 1 0 10 40.52 2.226 4 0.701 2 1 17.35 5.110 8 13.4 3 0 3 29.76 3.002 4 26.3 2 1 9 40.66 2.219 8 0.662 0 0 18.10 4.900 2 9.8 2 2 5 30.37 2.943 8 0.70 4 1 4 40.72 2.216 8 1.62 0 1 18.52 4.791 4 2.1 1 4 1 30.47 2.934 8 0.57 3 4 2 40.88 2.207 8 0.551 2 2 18.62 4.766 8 4.7 2 1 6 30.58 2.923 8 4.4 1 4 7 41.17 2.192 8 3.51 1 4 19.35 4.587 8 65.8 3 2 1 31.19 2.868 8 1.1 3 4 3 41.87 2.158 8 2.12 1 0 19.48 4.558 4 13.2 1 4 2 31.23 2.864 8 1.0 4 1 5 42.49 2.128 8 0.652 0 2 19.71 4.504 4 1.8 3 0 4 31.55 2.836 4 0.84 3 3 6 42.50 2.127 8 0.572 1 1 19.86 4.470 8 27.7 3 2 2 31.93 2.802 8 2.3 1 3 9 42.78 2.114 8 0.930 1 5 20.70 4.290 4 4.4 1 2 7 32.29 2.772 8 0.82 2 0 10 43.69 2.072 4 0.642 1 2 20.98 4.233 8 1.1 2 3 4 32.36 2.766 8 1.6 0 6 0 43.76 2.069 2 1.50 2 4 21.13 4.204 4 2.0 3 1 4 32.38 2.765 8 1.3 4 0 6 43.94 2.061 4 0.591 0 5 21.45 4.143 4 7.3 1 4 3 32.47 2.758 8 1.2 2 4 7 44.31 2.044 8 1.42 0 3 21.56 4.121 4 9.6 1 0 8 32.64 2.743 4 0.51 1 0 11 44.57 2.033 4 0.620 3 1 21.83 4.071 4 1.2 0 4 4 32.84 2.727 4 2.7 3 2 8 44.59 2.032 8 0.541 1 5 22.62 3.930 8 0.88 2 0 7 32.96 2.718 4 2.2 3 3 7 44.95 2.017 8 0.511 2 4 23.02 3.863 8 12.3 2 2 6 33.10 2.707 8 1.6 3 0 9 45.22 2.005 4 2.32 2 0 23.13 3.846 4 4.9 1 3 6 33.25 2.695 8 0.76 2 5 5 45.51 1.993 8 1.001 3 1 23.66 3.760 8 3.5 2 1 7 33.76 2.655 8 2.5 2 3 9 45.83 1.980 8 1.32 0 4 23.92 3.720 4 2.9 1 4 4 34.13 2.627 8 8.6 4 3 4 45.88 1.978 8 1.32 2 2 24.42 3.645 8 8.1 2 4 0 34.20 2.621 4 1.5 1 3 10 46.31 1.960 8 2.50 3 3 24.48 3.636 4 30.3 2 3 5 34.49 2.600 8 1.5 5 0 1 46.50 1.953 4 0.671 3 2 24.62 3.616 8 12.6 3 1 5 34.51 2.599 8 0.49 1 5 7 46.90 1.937 8 0.902 1 4 24.99 3.563 8 6.3 3 2 4 34.78 2.579 8 0.40 4 1 7 46.94 1.936 8 1.51 0 6 25.08 3.551 4 1.7 2 4 2 35.12 2.555 8 4.7 4 3 5 47.49 1.914 8 0.651 2 5 25.85 3.446 8 4.3 3 3 2 35.90 2.502 8 0.68 5 1 2 47.64 1.909 8 0.812 2 3 25.95 3.433 8 14.7 0 1 9 36.09 2.488 4 3.0 1 6 4 47.66 1.908 8 0.551 1 6 26.10 3.414 8 1.7 1 4 5 36.17 2.484 8 7.5 5 0 3 47.92 1.898 4 0.461 3 3 26.14 3.409 8 3.0 2 4 3 36.24 2.479 8 3.5 4 4 2 47.98 1.896 8 1.72 0 5 26.67 3.343 4 0.99 2 0 8 36.40 2.468 4 1.7 5 1 3 48.52 1.876 8 2.20 2 6 27.47 3.247 4 16.7 4 0 1 36.90 2.436 4 1.3 3 0 10 48.61 1.873 4 1.22 1 5 27.63 3.228 8 5.8 2 3 6 36.95 2.433 8 0.77 4 2 7 48.72 1.869 8 1.12 2 4 27.96 3.191 8 7.7 3 1 6 36.96 2.432 8 1.0 2 3 10 49.18 1.852 8 0.611 3 4 28.14 3.171 8 16.2 0 4 6 37.38 2.406 4 1.7 1 6 5 49.23 1.851 8 0.43

ESV

ERS-7

Fram

ework

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

ETR ECR-34

CHEMICAL COMPOSITION: |H1.2K6.3Na4.4| [Si36.1Ga11.6Al0.3O96]

REFINED COMPOSITION: |K8.88| [Si36.48Ga11.52O96]

CRYSTAL DATA: P63mc (No. 186)a = 21.030 A b = 21.030 A c = 8.530 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: K. G. Strohmaier and D. E. W. Vaughan,J. Am. Chem. Soc. 125 16035–16039 (2003).


1 0 0 4.85 18.213 6 100.0 1 0 3 31.85 2.809 12 1.0 7 1 2 43.08 2.100 24 0.271 1 0 8.41 10.515 6 49.8 6 1 0 32.23 2.777 12 0.12 1 1 4 43.29 2.090 12 0.432 0 0 9.71 9.106 6 2.0 5 0 2 32.32 2.770 12 0.03 6 4 0 43.31 2.089 12 0.051 0 1 11.45 7.725 12 17.5 5 2 1 32.44 2.760 24 1.2 2 0 4 43.59 2.076 12 0.172 1 0 12.86 6.884 12 7.0 2 0 3 33.00 2.714 12 0.44 6 0 3 43.62 2.075 12 0.362 0 1 14.23 6.225 12 3.4 3 3 2 33.08 2.708 12 1.8 8 1 1 43.77 2.068 24 0.043 0 0 14.59 6.071 6 4.8 4 2 2 33.45 2.678 24 0.84 4 3 3 43.91 2.062 24 0.112 1 1 16.55 5.357 24 3.4 6 1 1 33.94 2.641 24 0.86 5 4 2 44.27 2.046 24 0.182 2 0 16.86 5.258 6 2.2 4 4 0 34.11 2.629 6 0.58 2 1 4 44.48 2.037 24 0.183 1 0 17.56 5.051 12 0.48 2 1 3 34.12 2.628 24 0.39 5 2 3 44.50 2.036 24 0.203 0 1 17.93 4.946 12 0.97 7 0 0 34.47 2.602 6 0.59 6 4 1 44.66 2.029 24 0.284 0 0 19.50 4.553 6 2.3 5 1 2 34.56 2.596 24 0.35 9 0 0 44.79 2.024 6 0.023 1 1 20.43 4.346 24 3.8 3 0 3 34.84 2.575 12 0.66 3 0 4 45.06 2.012 12 0.280 0 2 20.83 4.265 2 1.3 6 2 0 35.54 2.526 12 0.12 8 0 2 45.14 2.008 12 0.213 2 0 21.26 4.178 12 0.01 7 0 1 36.09 2.489 12 0.05 7 3 1 45.53 1.992 24 0.601 0 2 21.40 4.153 12 0.09 5 3 1 36.09 2.489 24 0.08 8 2 0 45.65 1.987 12 0.084 0 1 22.13 4.017 12 2.9 3 1 3 36.25 2.478 24 0.33 6 1 3 45.66 1.987 24 0.494 1 0 22.37 3.974 12 0.31 6 0 2 36.33 2.473 12 3.3 2 2 4 45.92 1.976 12 0.391 1 2 22.50 3.952 12 0.75 4 3 2 36.67 2.451 24 0.33 7 2 2 46.01 1.973 24 0.262 0 2 23.03 3.862 12 3.9 6 2 1 37.12 2.422 24 1.1 9 0 1 46.10 1.969 12 0.063 2 1 23.71 3.752 24 6.3 7 1 0 37.27 2.412 12 0.07 3 1 4 46.21 1.965 24 0.105 0 0 24.44 3.643 6 0.42 4 0 3 37.28 2.412 12 0.40 8 2 1 46.95 1.935 24 0.082 1 2 24.55 3.626 24 1.9 5 2 2 37.35 2.407 24 0.32 4 0 4 47.05 1.931 12 0.184 1 1 24.71 3.602 24 1.1 3 2 3 38.29 2.351 24 0.29 5 3 3 47.36 1.919 24 0.313 3 0 25.41 3.505 6 0.15 6 1 2 38.69 2.327 24 0.95 7 0 3 47.36 1.919 12 0.273 0 2 25.52 3.490 12 3.5 7 1 1 38.79 2.321 24 0.03 9 1 0 47.63 1.909 12 0.014 2 0 25.89 3.442 12 0.02 4 1 3 38.95 2.312 24 0.50 6 5 0 47.63 1.909 12 0.135 0 1 26.61 3.350 12 3.8 8 0 0 39.59 2.277 6 0.08 8 1 2 47.70 1.907 24 0.162 2 2 26.92 3.312 12 3.7 5 4 1 40.09 2.249 24 0.31 3 2 4 47.89 1.899 24 0.285 1 0 27.26 3.271 12 0.60 5 0 3 40.24 2.241 12 0.42 7 4 0 48.18 1.889 12 0.313 1 2 27.37 3.259 24 0.36 4 4 2 40.30 2.238 12 0.52 6 2 3 48.19 1.888 24 0.084 2 1 27.95 3.192 24 2.1 5 3 2 40.62 2.221 24 0.32 5 5 2 48.25 1.886 12 0.214 0 2 28.68 3.113 12 0.68 7 0 2 40.62 2.221 12 0.01 6 4 2 48.52 1.876 24 0.295 1 1 29.24 3.054 24 4.3 6 3 1 40.72 2.216 24 0.03 6 5 1 48.88 1.863 24 0.696 0 0 29.42 3.035 6 0.80 8 0 1 41.03 2.200 12 0.27 9 1 1 48.88 1.863 24 0.264 3 0 29.84 2.994 12 0.33 4 2 3 41.18 2.192 24 0.14 8 3 0 49.28 1.849 12 0.143 2 2 29.94 2.985 24 0.87 6 2 2 41.55 2.173 24 0.32 7 3 2 49.34 1.847 24 0.085 2 0 30.66 2.916 12 0.18 7 2 1 41.96 2.153 24 0.18 7 4 1 49.43 1.844 24 0.074 1 2 30.75 2.908 24 2.9 8 1 0 42.40 2.132 12 0.41 5 0 4 49.53 1.840 12 0.036 0 1 31.28 2.860 12 3.5 1 0 4 42.69 2.118 12 0.13 7 1 3 49.55 1.839 24 0.084 3 1 31.67 2.825 24 1.7 5 5 0 43.01 2.103 6 0.33 9 0 2 49.88 1.828 12 0.03

ET

RECR-34

504030201002 theta (°)

504846444240383634323028262422201816141210

86420

EUO o-FDBDM ZSM-50

CHEMICAL COMPOSITION: |(C16H19FN)4| [Si112O224]C16H19FN = ortho-fluorodibenzyldimethylammonium (FDBDM)

REFINED COMPOSITION: |C60F8N4| [Si112O224]

CRYSTAL DATA: Cmme (No. 67)a = 13.726 A b = 22.171 A c = 20.254 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: M. Arranz, J. Perez-Pariente, P. A. Wright, A. M. Z. Slawin,T. Blasco, Luis Gomez-Hortiguela and F. Cora,Chem. Mater. 17 4374–4385 (2005).


0 0 1 4.36 20.254 2 9.5 4 2 0 27.20 3.278 4 38.1 4 4 5 38.01 2.367 8 0.990 2 0 7.98 11.085 2 67.2 0 4 5 27.27 3.270 4 0.66 2 2 8 38.77 2.323 8 0.490 0 2 8.73 10.127 2 11.8 2 6 0 27.41 3.254 4 2.0 5 5 1 38.84 2.319 8 3.41 1 1 8.74 10.112 8 50.1 1 1 6 27.51 3.243 8 0.75 3 7 4 38.89 2.316 8 1.90 2 1 9.09 9.724 4 19.4 1 5 4 27.52 3.242 8 17.0 5 3 4 39.27 2.294 8 3.61 1 2 11.57 7.649 8 11.5 0 6 3 27.52 3.241 4 3.1 0 8 5 39.39 2.287 4 2.30 2 2 11.84 7.477 4 3.0 0 2 6 27.62 3.229 4 0.32 1 9 3 39.49 2.282 8 0.302 0 0 12.90 6.863 2 5.4 2 6 1 27.77 3.212 8 1.6 0 6 7 39.56 2.278 4 0.732 0 1 13.62 6.500 4 0.34 3 5 1 28.37 3.146 8 5.6 6 0 1 39.65 2.273 4 0.451 3 1 14.30 6.195 8 0.56 4 2 2 28.62 3.119 8 0.28 0 0 9 40.07 2.250 2 0.321 1 3 15.16 5.844 8 0.96 3 3 4 28.94 3.085 8 4.6 6 0 3 41.69 2.167 4 1.30 2 3 15.37 5.766 4 5.1 1 7 1 29.27 3.051 8 1.8 3 9 1 41.89 2.157 8 1.62 2 1 15.80 5.607 8 3.8 3 1 5 29.73 3.005 8 0.29 3 5 7 42.20 2.141 8 1.60 4 0 15.99 5.543 2 1.5 1 3 6 29.82 2.996 8 0.25 4 6 5 42.30 2.136 8 0.301 3 2 16.19 5.474 8 1.7 2 4 5 30.27 2.952 8 3.6 6 4 0 42.76 2.115 4 1.30 4 1 16.58 5.346 4 3.0 1 7 2 30.27 2.952 8 0.32 2 10 0 42.86 2.110 4 1.82 2 2 17.54 5.056 8 0.52 4 2 3 30.31 2.949 8 3.4 0 10 3 42.94 2.106 4 0.620 4 2 18.25 4.862 4 1.6 2 6 3 30.50 2.931 8 5.9 0 6 8 43.32 2.089 4 0.761 3 3 18.94 4.685 8 0.94 2 2 6 30.59 2.922 8 0.39 0 4 9 43.40 2.085 4 0.281 1 4 19.11 4.645 8 51.2 0 0 7 30.90 2.893 2 0.66 4 8 3 44.09 2.054 8 0.720 2 4 19.27 4.606 4 0.41 4 4 1 30.97 2.888 8 0.35 0 0 10 44.74 2.025 2 0.802 2 3 20.11 4.415 8 11.7 3 5 3 31.05 2.880 8 1.7 5 5 5 44.81 2.022 8 0.493 1 1 20.30 4.375 8 21.4 0 8 0 32.30 2.771 2 0.78 3 1 9 45.08 2.011 8 0.872 4 0 20.60 4.312 4 100.0 0 8 1 32.61 2.746 4 1.1 4 2 8 45.25 2.004 8 0.250 4 3 20.73 4.284 4 22.4 3 1 6 33.23 2.696 8 0.35 2 6 8 45.39 1.998 8 0.772 4 1 21.06 4.218 8 0.62 3 5 4 33.24 2.696 8 3.9 3 9 4 45.49 1.994 8 0.981 5 1 21.51 4.131 8 0.84 1 3 7 33.91 2.644 8 3.0 6 0 5 45.54 1.992 4 1.13 1 2 21.69 4.098 8 0.66 1 5 6 34.01 2.636 8 0.31 1 5 9 45.69 1.986 8 1.72 0 4 21.81 4.075 4 0.48 4 0 5 34.25 2.618 4 3.6 5 1 7 45.74 1.984 8 0.610 0 5 21.94 4.051 2 1.1 3 7 1 34.73 2.583 8 1.3 5 7 3 45.76 1.983 8 0.481 3 4 22.25 3.996 8 62.0 2 8 0 34.91 2.570 4 0.46 6 6 0 46.70 1.945 4 3.71 5 2 22.83 3.895 8 0.42 0 4 7 34.98 2.565 4 0.98 7 1 1 46.72 1.944 8 0.481 1 5 23.24 3.827 8 2.1 0 8 3 35.00 2.564 4 1.7 2 0 10 46.76 1.943 4 0.293 3 1 23.28 3.820 8 9.6 2 8 1 35.20 2.549 8 0.43 3 7 7 46.94 1.936 8 0.330 2 5 23.38 3.805 4 30.6 2 6 5 35.38 2.537 8 2.6 2 8 7 47.31 1.921 8 0.390 6 0 24.08 3.695 2 31.6 0 0 8 35.46 2.532 2 10.6 5 7 4 47.36 1.920 8 0.552 4 3 24.49 3.634 8 2.3 5 1 3 35.53 2.526 8 0.41 1 11 3 47.54 1.912 8 0.263 3 2 24.51 3.631 8 0.35 4 6 0 35.71 2.514 4 1.2 4 4 8 47.55 1.912 8 4.21 5 3 24.88 3.578 8 3.4 3 5 5 35.87 2.503 8 0.62 6 4 5 48.57 1.875 8 0.842 0 5 25.53 3.488 4 0.99 0 2 8 36.40 2.468 4 3.9 2 10 5 48.66 1.871 8 0.514 0 0 25.97 3.431 2 12.4 4 6 2 36.83 2.440 8 0.29 0 8 8 48.71 1.869 4 2.14 0 1 26.34 3.383 4 1.4 3 1 7 36.98 2.431 8 0.35 1 9 7 49.01 1.858 8 0.620 0 6 26.40 3.376 2 1.1 2 8 3 37.45 2.402 8 5.8 1 11 4 49.10 1.855 8 0.293 1 4 26.56 3.356 8 19.1 5 1 4 37.49 2.399 8 4.5 3 5 9 49.60 1.838 8 1.52 2 5 26.79 3.328 8 1.6 1 5 7 37.70 2.386 8 2.0 3 11 1 49.63 1.837 8 2.5

EU

Oo-F

DBD

MZSM

-50

504030201002 theta (°)

70

60

50

40

30

20

10

0

EZT EMM-3



CRYSTAL DATA: C1 2/m 1 (No. 12; unique axis b, cell choice 1)a = 25.2367 A b = 10.3132 A c = 12.6975 Aα = 90.0◦ β = 119.8636◦ γ = 90.0◦

X-ray Rietveld refinement, Rp = 0.0538, Rw = 0.0700, RF2 = 0.038

REFERENCE: M. Afeworki, D. L. Dorset, G. J. Kennedy and K. G. Strohmaier,Chem. Mater. 18 1697–1704 (2006).


0 0 1 8.03 11.011 2 100.0 4 0 2 28.14 3.171 2 4.9 -4 2 5 39.76 2.267 4 0.40-2 0 1 8.07 10.954 2 95.9 -8 0 2 28.29 3.155 2 2.3 -6 2 5 39.80 2.265 4 0.552 0 0 8.08 10.943 2 21.5 3 3 0 28.71 3.110 4 3.4 -10 2 3 39.98 2.255 4 0.301 1 0 9.48 9.329 4 63.8 -2 0 4 29.25 3.054 2 0.44 -1 1 5 40.02 2.253 4 0.541 1 1 13.68 6.473 4 15.3 2 0 3 29.26 3.052 2 3.6 -9 1 5 40.20 2.243 4 0.36

-3 1 1 13.73 6.449 4 14.9 6 0 1 29.38 3.040 2 0.65 7 1 2 40.60 2.222 4 0.29-2 0 2 13.95 6.349 2 28.8 -8 0 3 29.44 3.034 2 2.2 0 0 5 40.98 2.202 2 0.643 1 0 14.87 5.956 4 1.2 -8 0 1 29.46 3.032 2 1.6 -10 0 5 41.20 2.191 2 0.950 0 2 16.10 5.506 2 1.7 -3 1 4 29.70 3.007 4 0.79 -10 2 4 41.69 2.167 4 0.34

-4 0 2 16.18 5.477 2 1.8 -5 1 4 29.75 3.003 4 0.62 3 3 3 41.87 2.158 4 0.434 0 0 16.20 5.471 2 8.3 7 1 0 29.86 2.992 4 2.9 -9 3 3 42.03 2.150 4 0.39

-1 1 2 16.87 5.255 4 2.7 0 2 3 29.88 2.990 4 4.8 -6 0 6 42.73 2.116 2 1.6-3 1 2 16.91 5.242 4 1.9 -6 2 3 29.99 2.980 4 4.1 7 3 1 42.81 2.112 4 0.250 2 0 17.20 5.157 2 0.31 -1 1 4 31.88 2.807 4 1.5 -9 3 1 42.88 2.109 4 0.490 2 1 19.00 4.670 4 0.55 -7 1 4 32.01 2.796 4 1.3 6 4 0 42.96 2.105 4 1.4

-2 2 1 19.02 4.666 4 0.49 1 3 2 32.01 2.796 4 1.9 8 0 2 43.66 2.073 2 0.402 2 0 19.03 4.665 4 31.3 -5 3 2 32.08 2.790 4 2.3 -11 1 5 44.47 2.037 4 0.333 1 1 19.62 4.525 4 2.0 0 0 4 32.52 2.753 2 2.5 0 2 5 44.75 2.025 4 0.32

-5 1 1 19.69 4.509 4 1.3 -8 0 4 32.70 2.739 2 3.4 10 2 0 45.00 2.015 4 1.51 1 2 20.40 4.354 4 0.52 8 0 0 32.73 2.736 2 0.33 -3 3 5 45.11 2.010 4 0.69

-5 1 2 20.50 4.333 4 3.6 5 1 2 33.02 2.713 4 0.91 -7 3 5 45.20 2.006 4 0.76-2 0 3 21.36 4.160 2 16.4 5 3 0 33.13 2.704 4 5.7 1 5 1 45.30 2.002 4 1.72 0 2 21.37 4.157 2 0.59 -4 2 4 33.14 2.703 4 0.29 -3 5 1 45.31 2.001 4 1.6

-4 0 3 21.41 4.151 2 6.7 -9 1 2 33.17 2.701 4 0.25 -8 4 2 45.43 1.996 4 0.344 0 1 21.43 4.146 2 1.1 3 1 3 33.48 2.676 4 2.3 9 3 0 45.70 1.985 4 2.1

-6 0 2 21.50 4.132 2 1.9 -9 1 3 33.67 2.662 4 1.3 2 0 5 45.90 1.977 2 0.43-6 0 1 21.51 4.131 2 7.9 -2 2 4 34.12 2.627 4 0.68 2 4 3 46.09 1.970 4 0.475 1 0 22.06 4.029 4 3.1 -6 2 4 34.21 2.621 4 0.49 10 0 1 46.14 1.967 2 0.292 2 1 22.22 4.001 4 34.4 6 2 1 34.24 2.619 4 1.2 -12 0 5 46.19 1.965 2 0.61

-4 2 1 22.26 3.993 4 17.9 -8 2 1 34.31 2.613 4 1.5 -8 4 3 46.21 1.965 4 0.420 2 2 23.64 3.764 4 2.4 -1 3 3 34.57 2.595 4 0.29 -6 2 6 46.38 1.958 4 0.68

-4 2 2 23.70 3.754 4 9.8 7 1 1 34.61 2.592 4 0.55 11 1 0 46.48 1.954 4 0.544 2 0 23.71 3.753 4 0.69 -5 3 3 34.63 2.590 4 0.41 4 2 4 47.14 1.928 4 1.1

-1 1 3 24.10 3.693 4 0.78 -9 1 1 34.69 2.586 4 0.43 -12 2 4 47.40 1.918 4 0.71-5 1 3 24.18 3.680 4 0.59 0 4 0 34.79 2.578 2 3.6 5 3 3 47.51 1.914 4 0.743 1 2 26.13 3.410 4 0.35 6 0 2 35.66 2.518 2 0.28 3 5 1 47.64 1.909 4 0.431 3 0 26.24 3.396 4 6.6 0 4 1 35.77 2.510 4 0.30 -5 5 1 47.67 1.908 4 0.31

-7 1 2 26.26 3.393 4 0.66 1 1 4 35.92 2.500 4 1.2 -11 3 3 47.70 1.907 4 0.815 1 1 26.82 3.324 4 2.2 -9 1 4 36.12 2.487 4 1.1 7 3 2 47.94 1.897 4 0.50

-7 1 1 26.90 3.315 4 5.4 0 2 4 37.02 2.428 4 3.5 -5 5 2 48.05 1.894 4 0.392 2 2 27.56 3.236 4 4.1 -8 2 4 37.17 2.419 4 2.1 -11 3 2 48.09 1.892 4 0.36

-6 2 2 27.66 3.225 4 3.7 8 2 0 37.20 2.417 4 2.0 9 1 2 48.68 1.870 4 0.381 1 3 27.95 3.193 4 0.65 2 4 1 37.66 2.388 4 0.25 5 5 0 48.81 1.866 4 0.32

-7 1 3 28.10 3.176 4 0.77 -4 4 1 37.69 2.387 4 0.38 -12 2 5 49.64 1.837 4 0.33-4 0 4 28.11 3.174 2 7.5 7 3 0 38.94 2.313 4 0.37 -1 5 3 49.86 1.829 4 0.28

Converted from the ‘unique axis b, cell choice 3’ setting.

EZT

EM

M-3

504030201002 theta (°)

40

35

30

25

20

15

10

5

0

FAR Farneseite

CHEMICAL COMPOSITION: |(Na,K)46Ca10Cl10.48(SO4)8.54(H2O)12.6| [Si42Al42O168]Farnese, Viterbo Province, Italy.

REFINED COMPOSITION: |(Na,K)53.4Ca3.04Cl2.59(SO4)8.54(H2O)3.03| [Si42Al42O168]


X-ray single crystal refinement, R = 0.0765, R2w = 0.2117

REFERENCE: F. Camara, F. Bellatreccia, G. Della Ventura and A. Mottana,Eur. J. Mineral 17 839–846 (2005).


1 0 0 7.93 11.153 6 2.5 2 2 0 27.71 3.220 6 1.1 4 1 1 37.02 2.429 12 0.531 0 1 8.28 10.679 12 72.9 3 0 6 28.02 3.184 12 2.0 1 4 1 37.02 2.429 12 1.01 0 2 9.26 9.552 12 33.0 2 2 2 28.13 3.172 12 1.5 2 3 5 37.18 2.418 12 0.700 0 4 9.56 9.252 2 4.6 1 2 8 28.65 3.116 12 31.3 4 0 8 37.67 2.388 12 10.81 0 3 10.69 8.273 12 7.9 2 1 8 28.65 3.116 12 30.3 1 4 5 38.95 2.312 12 0.631 0 4 12.43 7.121 12 0.61 1 3 0 28.86 3.093 6 0.53 4 0 9 39.03 2.308 12 8.81 1 0 13.75 6.439 6 33.7 0 0 12 28.95 3.084 2 0.73 1 3 11 39.58 2.277 12 0.731 0 5 14.36 6.167 12 41.7 3 0 7 29.37 3.041 12 8.7 3 0 13 39.88 2.260 12 4.41 1 2 14.57 6.081 12 0.79 1 3 3 29.78 3.000 12 1.7 4 0 10 40.51 2.227 12 6.62 0 1 16.07 5.514 12 20.0 3 1 3 29.78 3.000 12 0.71 5 0 2 40.74 2.215 12 1.81 0 6 16.42 5.398 12 28.7 1 0 12 30.06 2.972 12 2.2 5 0 3 41.12 2.195 12 0.802 0 2 16.60 5.339 12 6.0 2 1 9 30.37 2.944 12 1.6 3 0 14 41.93 2.154 12 19.11 1 4 16.77 5.285 12 5.4 1 2 9 30.37 2.944 12 1.9 4 0 11 42.09 2.147 12 6.32 0 3 17.45 5.081 12 0.93 3 0 8 30.86 2.898 12 3.5 3 3 0 42.10 2.146 6 26.01 0 7 18.57 4.777 12 2.8 2 2 6 31.34 2.854 12 4.1 2 4 0 42.91 2.108 6 1.32 0 4 18.58 4.776 12 0.63 3 1 5 31.34 2.854 12 6.4 4 2 0 42.91 2.108 6 0.740 0 8 19.19 4.626 2 6.2 1 3 5 31.34 2.854 12 10.3 2 4 1 42.98 2.104 12 1.71 0 8 20.79 4.273 12 30.0 4 0 0 32.10 2.788 6 7.5 4 2 1 42.98 2.104 12 0.702 1 0 21.07 4.215 6 1.3 1 1 12 32.18 2.781 12 0.66 4 0 12 43.77 2.068 12 3.71 2 0 21.07 4.215 6 2.3 4 0 1 32.19 2.780 12 6.1 0 0 18 44.04 2.056 2 0.541 2 1 21.21 4.188 12 2.6 1 3 6 32.38 2.765 12 6.2 2 2 14 44.34 2.043 12 2.02 1 1 21.21 4.188 12 13.5 3 1 6 32.38 2.765 12 4.5 3 2 11 44.48 2.037 12 1.72 0 6 21.48 4.137 12 3.2 3 0 9 32.47 2.758 12 3.1 2 3 11 44.48 2.037 12 0.602 1 2 21.62 4.110 12 2.9 4 0 2 32.47 2.757 12 5.7 3 3 6 44.70 2.027 12 0.801 1 7 21.75 4.086 12 1.9 4 0 3 32.93 2.720 12 14.2 1 3 14 45.12 2.010 12 0.602 1 3 22.29 3.989 12 6.9 3 1 7 33.57 2.670 12 1.5 3 1 14 45.12 2.010 12 0.551 2 3 22.29 3.989 12 9.3 1 3 7 33.57 2.670 12 2.1 5 1 0 45.27 2.003 6 1.81 0 9 23.05 3.858 12 35.7 4 0 4 33.57 2.670 12 7.4 1 5 0 45.27 2.003 6 2.02 0 7 23.18 3.837 12 3.0 0 0 14 33.91 2.643 2 34.5 4 2 6 45.48 1.994 12 0.592 1 4 23.19 3.836 12 8.9 2 2 8 33.92 2.643 12 2.7 2 4 6 45.48 1.994 12 0.831 2 4 23.19 3.836 12 8.4 4 0 5 34.37 2.609 12 21.7 5 1 2 45.55 1.992 12 0.641 1 8 23.68 3.757 12 6.4 3 1 8 34.89 2.571 12 3.8 5 0 9 46.30 1.961 12 1.03 0 0 23.94 3.718 6 100.0 1 3 8 34.89 2.571 12 5.6 2 4 7 46.38 1.958 12 1.03 0 1 24.06 3.699 12 0.84 3 2 0 35.07 2.559 6 1.0 1 2 17 46.98 1.934 12 0.722 1 5 24.30 3.663 12 11.5 2 3 0 35.07 2.559 6 1.3 2 1 17 46.98 1.934 12 0.681 2 5 24.30 3.663 12 17.8 2 3 1 35.16 2.553 12 2.9 4 0 14 47.39 1.918 12 6.53 0 2 24.42 3.645 12 1.0 3 2 1 35.16 2.553 12 2.4 1 5 6 47.74 1.905 12 1.51 0 10 25.36 3.512 12 6.1 4 0 6 35.33 2.541 12 14.8 5 1 6 47.74 1.905 12 0.912 1 6 25.59 3.480 12 47.5 2 3 2 35.41 2.535 12 0.61 3 2 13 47.79 1.903 12 1.81 2 6 25.59 3.480 12 55.7 3 1 9 36.34 2.472 12 1.7 6 0 0 49.00 1.859 6 0.763 0 4 25.83 3.450 12 1.1 1 3 9 36.34 2.472 12 3.9 6 0 1 49.07 1.856 12 1.42 0 9 26.94 3.310 12 2.1 3 2 4 36.43 2.466 12 0.90 4 0 15 49.32 1.848 12 1.12 1 7 27.05 3.296 12 1.7 1 1 14 36.75 2.445 12 5.7 5 1 8 49.59 1.838 12 2.41 2 7 27.05 3.296 12 2.6 4 1 0 36.93 2.434 6 1.9 1 5 8 49.59 1.838 12 2.31 0 11 27.69 3.221 12 10.6 1 4 0 36.93 2.434 6 2.3 1 0 20 49.96 1.825 12 2.0

FAR

Farneseite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

FAU Faujasite

CHEMICAL COMPOSITION: |Na28.8Ca14.4(H2O)263| [Si134.4Al57.6O384]Kaiserstuhl, Germany

REFINED COMPOSITION: |Na16Ca16(H2O)42.7| [Si134.4Al57.6O384]

CRYSTAL DATA: Fd3m (No. 227; origin at centre 3m )a = 24.74 A b = 24.74 A c = 24.74 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: W. H. Baur,American Mineralogist 49 697–704 (1964).


1 1 1 6.19 14.284 8 100.0 6 6 0 30.66 2.916 12 0.71 10 4 4 41.96 2.153 24 0.102 2 0 10.11 8.747 12 1.4 5 5 5 31.31 2.857 8 2.0 8 6 6 42.62 2.121 24 0.043 1 1 11.86 7.459 24 2.0 7 5 1 31.31 2.857 48 0.30 10 6 0 42.62 2.121 24 0.162 2 2 12.39 7.142 8 0.03 6 6 2 31.52 2.838 24 0.01 9 7 3 43.11 2.098 48 0.194 0 0 14.32 6.185 6 0.51 8 4 0 32.37 2.766 24 1.1 11 3 3 43.11 2.098 24 0.223 3 1 15.61 5.676 24 4.5 9 1 1 32.98 2.716 24 0.46 10 6 2 43.27 2.091 48 0.024 2 2 17.56 5.050 24 0.33 7 5 3 32.98 2.716 48 0.53 12 0 0 43.92 2.062 6 0.033 3 3 18.64 4.761 8 0.03 8 4 2 33.19 2.699 48 0.15 8 8 4 43.92 2.062 24 0.485 1 1 18.64 4.761 24 2.7 6 6 4 33.99 2.637 24 1.3 11 5 1 44.39 2.041 48 0.094 4 0 20.30 4.373 12 2.5 9 3 1 34.58 2.593 48 1.0 12 2 2 45.18 2.007 24 0.035 3 1 21.25 4.182 48 0.02 8 4 4 35.55 2.525 24 0.12 9 7 5 45.65 1.987 48 0.094 4 2 21.55 4.123 24 0.40 7 7 1 36.12 2.486 24 0.03 11 5 3 45.65 1.987 48 0.086 2 0 22.73 3.912 24 0.15 9 3 3 36.12 2.486 24 0.06 12 4 0 46.43 1.956 24 0.045 3 3 23.58 3.773 24 5.6 7 5 5 36.12 2.486 24 0.12 9 9 1 46.88 1.938 24 0.096 2 2 23.86 3.730 24 0.07 8 6 2 37.06 2.426 48 0.31 12 4 2 47.04 1.932 48 0.284 4 4 24.93 3.571 8 0.16 10 2 0 37.06 2.426 24 0.28 8 8 6 47.04 1.932 24 0.085 5 1 25.72 3.464 24 0.49 9 5 1 37.61 2.392 48 0.09 10 8 2 47.64 1.909 48 0.127 1 1 25.72 3.464 24 0.14 6 6 6 37.79 2.381 8 0.64 10 6 6 48.24 1.886 24 0.046 4 2 26.97 3.306 48 2.4 10 2 2 37.79 2.381 24 0.08 12 4 4 48.84 1.865 24 0.017 3 1 27.70 3.221 48 0.47 8 6 4 39.22 2.297 48 0.07 13 3 1 49.28 1.849 48 0.118 0 0 28.87 3.092 6 0.16 7 7 5 40.43 2.231 24 0.21 9 7 7 49.28 1.849 24 0.047 3 3 29.55 3.022 24 0.46 8 8 0 41.29 2.187 12 0.47 10 8 4 49.42 1.844 48 0.066 4 4 29.78 3.000 24 0.01 11 3 1 41.79 2.162 48 0.258 2 2 30.66 2.916 24 1.1 9 7 1 41.79 2.162 48 0.28

FAU

Faujasite

504030201002 theta (°)

6

4

2

0

FAU Na-X, Dehydrated

CHEMICAL COMPOSITION: |Na88| [Si104Al88O384]

REFINED COMPOSITION: |Na92.9| [Si103.68Al88.32O384]

CRYSTAL DATA: Fd3 (No. 203; origin at centre 3 )a = 25.099 A b = 25.099 A c = 25.099 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: D. H. Olson,Zeolites 15 439–443 (1995).


1 1 1 6.10 14.491 8 100.0 8 2 4 32.70 2.739 24 0.01 12 0 0 43.26 2.092 6 0.292 2 0 9.97 8.874 12 12.7 6 6 4 33.49 2.676 24 2.7 8 8 4 43.26 2.092 24 0.333 1 1 11.69 7.568 24 8.0 9 1 3 34.07 2.631 24 0.54 7 7 7 43.73 2.070 8 0.022 2 2 12.22 7.245 8 0.07 9 3 1 34.07 2.631 24 0.52 10 6 4 44.50 2.036 24 0.014 0 0 14.11 6.275 6 0.13 8 4 4 35.03 2.562 24 0.33 9 5 7 44.96 2.016 24 0.033 3 1 15.39 5.758 24 11.1 9 3 3 35.59 2.523 24 0.02 9 7 5 44.96 2.016 24 0.014 2 2 17.31 5.123 24 0.07 7 5 5 35.59 2.523 24 0.32 11 3 5 44.96 2.016 24 0.035 1 1 18.37 4.830 24 0.40 8 2 6 36.51 2.461 24 0.11 11 5 3 44.96 2.016 24 0.024 4 0 20.01 4.437 12 2.4 10 2 0 36.51 2.461 12 0.01 12 0 4 45.72 1.984 12 0.025 3 1 20.94 4.243 24 0.36 10 0 2 36.51 2.461 12 0.02 12 4 0 45.72 1.984 12 0.034 4 2 21.24 4.183 24 0.22 8 6 2 36.51 2.461 24 0.09 9 9 1 46.17 1.966 24 0.226 2 0 22.40 3.969 12 0.18 7 7 3 37.05 2.426 24 0.07 12 2 4 46.32 1.960 24 0.215 3 3 23.24 3.828 24 7.7 9 1 5 37.05 2.426 24 0.01 12 4 2 46.32 1.960 24 0.246 2 2 23.51 3.784 24 0.49 6 6 6 37.23 2.415 8 0.62 8 8 6 46.32 1.960 24 0.224 4 4 24.57 3.623 8 0.01 10 2 2 37.23 2.415 24 0.27 10 2 8 46.92 1.936 24 0.307 1 1 25.34 3.515 24 0.08 9 3 5 38.46 2.340 24 0.02 10 8 2 46.92 1.936 24 0.445 5 1 25.34 3.515 24 0.05 9 5 3 38.46 2.340 24 0.02 11 1 7 47.36 1.919 24 0.076 4 2 26.58 3.354 24 2.8 7 7 5 39.83 2.263 24 0.29 11 5 5 47.36 1.919 24 0.026 2 4 26.58 3.354 24 2.0 11 1 1 39.83 2.263 24 0.82 9 9 3 47.36 1.919 24 0.177 1 3 27.29 3.268 24 0.02 8 8 0 40.67 2.218 12 0.84 11 7 1 47.36 1.919 24 0.037 3 1 27.29 3.268 24 0.01 11 3 1 41.16 2.193 24 0.15 9 7 7 48.53 1.876 24 0.168 0 0 28.45 3.137 6 0.04 11 1 3 41.16 2.193 24 0.11 11 7 3 48.53 1.876 24 0.197 3 3 29.12 3.066 24 0.60 9 1 7 41.16 2.193 24 0.13 13 1 3 48.53 1.876 24 0.048 2 2 30.21 2.958 24 0.54 9 5 5 41.16 2.193 24 0.05 13 3 1 48.53 1.876 24 0.036 6 0 30.21 2.958 12 0.42 9 7 1 41.16 2.193 24 0.08 11 3 7 48.53 1.876 24 0.195 5 5 30.85 2.898 8 4.5 10 4 4 41.33 2.185 24 0.11 10 4 8 48.67 1.871 24 0.017 1 5 30.85 2.898 24 0.03 8 6 6 41.98 2.152 24 0.05 12 6 2 49.24 1.850 24 0.027 5 1 30.85 2.898 24 0.02 11 3 3 42.46 2.129 24 1.00 12 2 6 49.24 1.850 24 0.018 4 0 31.89 2.806 12 0.66 9 7 3 42.46 2.129 24 0.05 13 3 3 49.67 1.835 24 0.068 0 4 31.89 2.806 12 0.52 9 3 7 42.46 2.129 24 0.04 9 9 5 49.67 1.835 24 0.247 5 3 32.50 2.755 24 0.22 10 6 2 42.62 2.121 24 0.057 3 5 32.50 2.755 24 0.10 10 2 6 42.62 2.121 24 0.02

FAU

Na-X

,D

ehydrated

504030201002 theta (°)

14

12

10

8

6

4

2

0

FAU Na-X, Hydrated

CHEMICAL COMPOSITION: |Na88(H2O)220| [Si104Al88O384]

REFINED COMPOSITION: |Na40.32(H2O)171.84| [Si103.68Al88.32O384]



REFERENCE: D. H. Olson,J. Phys. Chem. 74 2758–2764 (1970).


1 1 1 6.12 14.450 8 100.0 7 3 5 32.59 2.747 24 0.14 11 3 3 42.59 2.123 24 0.582 2 0 10.00 8.849 12 10.4 9 1 1 32.59 2.747 24 0.15 9 7 3 42.59 2.123 24 0.043 1 1 11.73 7.546 24 3.8 7 5 3 32.59 2.747 24 0.42 9 3 7 42.59 2.123 24 0.032 2 2 12.25 7.225 8 0.21 8 4 2 32.80 2.731 24 0.13 10 6 2 42.75 2.115 24 0.014 0 0 14.15 6.257 6 0.05 8 2 4 32.80 2.731 24 0.13 12 0 0 43.38 2.086 6 0.093 3 1 15.43 5.742 24 6.5 6 6 4 33.59 2.668 24 3.4 8 8 4 43.38 2.086 24 0.314 2 2 17.36 5.109 24 0.11 9 3 1 34.17 2.624 24 0.55 11 5 1 43.86 2.064 24 0.045 1 1 18.42 4.817 24 1.3 9 1 3 34.17 2.624 24 0.57 11 1 5 43.86 2.064 24 0.033 3 3 18.42 4.817 8 0.26 8 4 4 35.13 2.554 24 0.47 10 6 4 44.64 2.030 24 0.044 4 0 20.07 4.424 12 2.0 7 7 1 35.69 2.515 24 0.09 11 5 3 45.10 2.010 24 0.035 1 3 21.00 4.231 24 0.06 7 5 5 35.69 2.515 24 0.02 9 5 7 45.10 2.010 24 0.075 3 1 21.00 4.231 24 0.57 9 3 3 35.69 2.515 24 0.02 11 3 5 45.10 2.010 24 0.034 4 2 21.30 4.171 24 0.01 8 6 2 36.61 2.454 24 0.06 12 4 0 45.86 1.979 12 0.026 0 2 22.47 3.957 12 0.16 8 2 6 36.61 2.454 24 0.13 9 9 1 46.31 1.960 24 0.186 2 0 22.47 3.957 12 1.1 10 0 2 36.61 2.454 12 0.02 12 4 2 46.46 1.954 24 0.305 3 3 23.31 3.817 24 6.2 10 2 0 36.61 2.454 12 0.04 8 8 6 46.46 1.954 24 0.056 2 2 23.58 3.773 24 0.53 7 7 3 37.16 2.420 24 0.07 12 2 4 46.46 1.954 24 0.234 4 4 24.64 3.612 8 0.18 6 6 6 37.34 2.408 8 1.2 10 2 8 47.06 1.931 24 0.245 5 1 25.41 3.505 24 0.23 10 2 2 37.34 2.408 24 0.23 10 8 2 47.06 1.931 24 0.397 1 1 25.41 3.505 24 0.04 8 6 4 38.75 2.324 24 0.04 9 9 3 47.50 1.914 24 0.056 2 4 26.65 3.345 24 2.4 8 4 6 38.75 2.324 24 0.06 13 1 1 47.50 1.914 24 0.026 4 2 26.65 3.345 24 3.2 10 4 2 39.44 2.285 24 0.01 10 6 6 47.65 1.908 24 0.077 3 1 27.37 3.258 24 0.12 11 1 1 39.95 2.257 24 0.22 12 4 4 48.24 1.887 24 0.167 1 3 27.37 3.258 24 0.06 7 7 5 39.95 2.257 24 0.28 13 3 1 48.67 1.871 24 0.025 5 3 27.37 3.258 24 0.01 8 8 0 40.79 2.212 12 1.1 11 3 7 48.67 1.871 24 0.077 3 3 29.21 3.058 24 1.2 11 3 1 41.29 2.187 24 0.32 9 7 7 48.67 1.871 24 0.168 2 2 30.30 2.950 24 1.7 11 1 3 41.29 2.187 24 0.27 13 1 3 48.67 1.871 24 0.036 6 0 30.30 2.950 12 1.0 9 1 7 41.29 2.187 24 0.20 11 7 3 48.67 1.871 24 0.097 1 5 30.94 2.890 24 0.39 9 7 1 41.29 2.187 24 0.24 12 6 2 49.39 1.845 24 0.055 5 5 30.94 2.890 8 5.7 9 5 5 41.29 2.187 24 0.10 12 2 6 49.39 1.845 24 0.057 5 1 30.94 2.890 24 0.35 8 8 2 41.45 2.178 24 0.13 13 3 3 49.82 1.830 24 0.146 6 2 31.15 2.871 24 0.22 8 6 6 42.10 2.146 24 0.01 9 9 5 49.82 1.830 24 0.228 4 0 31.98 2.798 12 1.8 10 6 0 42.10 2.146 12 0.038 0 4 31.98 2.798 12 1.6 10 0 6 42.10 2.146 12 0.02

FAU

Na-X

,H

ydrated

504030201002 theta (°)

12

10

8

6

4

2

0

FAU Ultrastable Y, Dehydrated Dealuminated

CHEMICAL COMPOSITION: |H18.9| [Si173.1Al18.9O384]

REFINED COMPOSITION: |Al5.6O22.4| [Si175.7Al16.3O384]


Neutron Rietveld refinement, Rwp = 0.1041, RI = 0.0561

REFERENCE: J. B. Parise, D. R. Corbin, L. Abrams and D. E. Cox,Acta Cryst. C40 1493–1497 (1984).


1 1 1 6.33 13.965 8 100.0 5 5 5 32.04 2.793 8 2.5 9 7 1 42.79 2.113 48 0.092 2 0 10.34 8.552 12 8.7 7 5 1 32.04 2.793 48 0.37 11 3 1 42.79 2.113 48 0.043 1 1 12.14 7.293 24 5.8 6 6 2 32.26 2.775 24 0.03 9 5 5 42.79 2.113 24 0.052 2 2 12.68 6.982 8 0.04 8 4 0 33.13 2.704 24 0.76 10 4 4 42.96 2.105 24 0.024 0 0 14.65 6.047 6 0.81 7 5 3 33.76 2.655 48 0.61 8 8 2 42.96 2.105 24 0.013 3 1 15.97 5.549 24 9.0 9 1 1 33.76 2.655 24 0.03 10 6 0 43.64 2.074 24 0.094 2 2 17.97 4.937 24 0.71 8 4 2 33.97 2.639 48 0.20 9 7 3 44.14 2.052 48 0.163 3 3 19.07 4.655 8 0.27 6 6 4 34.79 2.578 24 1.4 11 3 3 44.14 2.052 24 0.235 1 1 19.07 4.655 24 4.4 9 3 1 35.40 2.536 48 0.75 10 6 2 44.31 2.044 48 0.114 4 0 20.77 4.276 12 3.8 8 4 4 36.39 2.469 24 0.21 12 0 0 44.97 2.016 6 0.195 3 1 21.74 4.089 48 0.51 7 7 1 36.98 2.431 24 0.02 8 8 4 44.97 2.016 24 0.534 4 2 22.05 4.031 24 0.22 7 5 5 36.98 2.431 24 0.20 7 7 7 45.46 1.995 8 0.016 2 0 23.26 3.824 24 1.3 8 6 2 37.93 2.372 48 0.20 11 5 1 45.46 1.995 48 0.045 3 3 24.13 3.689 24 7.1 9 5 1 38.50 2.338 48 0.13 9 7 5 46.76 1.943 48 0.084 4 4 25.51 3.491 8 0.32 6 6 6 38.69 2.327 8 0.42 12 4 0 47.55 1.912 24 0.025 5 1 26.31 3.387 24 0.55 10 2 2 38.69 2.327 24 0.02 9 9 1 48.02 1.895 24 0.046 4 2 27.60 3.232 48 4.1 9 5 3 39.97 2.256 48 0.02 8 8 6 48.18 1.889 24 0.177 3 1 28.34 3.149 48 0.06 8 6 4 40.15 2.246 48 0.23 12 4 2 48.18 1.889 48 0.055 5 3 28.34 3.149 24 0.04 10 4 2 40.87 2.208 48 0.03 10 8 2 48.80 1.866 48 0.467 3 3 30.24 2.955 24 0.95 7 7 5 41.40 2.181 24 0.04 9 9 3 49.26 1.850 24 0.038 2 2 31.38 2.851 24 0.46 11 1 1 41.40 2.181 24 0.23 11 7 1 49.26 1.850 48 0.016 6 0 31.38 2.851 12 1.1 8 8 0 42.27 2.138 12 0.40

FAU

Ultrastable

Y,D

ehydratedD

ealuminated

504030201002 theta (°)

10

8

6

4

2

0

FAU Na-Y, Siliceous


REFINED COMPOSITION: [Si188.16O384]


Neutron Rietveld refinement, Rexp = 0.022, Rwp = 0.031

REFERENCE: J. J. Hriljac, M. M. Eddy, A. K. Cheetham, J. A. Donohue and G. J. Ray,J. Solid State Chem. 106 66–72 (1993).


1 1 1 6.31 14.005 8 100.0 8 2 2 31.29 2.859 24 0.68 9 5 5 42.66 2.119 24 0.022 2 0 10.31 8.576 12 18.6 7 5 1 31.95 2.801 48 0.55 9 7 1 42.66 2.119 48 0.123 1 1 12.10 7.314 24 12.5 5 5 5 31.95 2.801 8 4.4 10 4 4 42.83 2.111 24 0.072 2 2 12.64 7.003 8 0.06 8 4 0 33.03 2.712 24 1.2 8 6 6 43.51 2.080 24 0.024 0 0 14.61 6.064 6 0.34 7 5 3 33.66 2.663 48 0.48 10 6 0 43.51 2.080 24 0.103 3 1 15.92 5.565 24 16.0 9 1 1 33.66 2.663 24 0.03 11 3 3 44.01 2.058 24 0.524 2 2 17.91 4.952 24 0.12 8 4 2 33.87 2.647 48 0.14 9 7 3 44.01 2.058 48 0.135 1 1 19.01 4.668 24 4.3 6 6 4 34.69 2.586 24 2.4 10 6 2 44.18 2.050 48 0.163 3 3 19.01 4.668 8 0.23 9 3 1 35.29 2.543 48 1.0 12 0 0 44.84 2.021 6 0.304 4 0 20.71 4.288 12 6.4 8 4 4 36.28 2.476 24 0.25 8 8 4 44.84 2.021 24 0.725 3 1 21.67 4.100 48 0.31 7 5 5 36.87 2.438 24 0.17 11 5 1 45.33 2.001 48 0.044 4 2 21.98 4.043 24 0.11 8 6 2 37.82 2.379 48 0.16 10 6 4 46.13 1.968 48 0.036 2 0 23.19 3.835 24 1.3 9 5 1 38.38 2.345 48 0.12 11 5 3 46.61 1.948 48 0.015 3 3 24.06 3.699 24 7.6 6 6 6 38.57 2.334 8 1.1 9 7 5 46.61 1.948 48 0.144 4 4 25.44 3.501 8 0.29 10 2 2 38.57 2.334 24 0.03 12 4 0 47.40 1.918 24 0.035 5 1 26.24 3.397 24 1.2 9 5 3 39.85 2.262 48 0.04 9 9 1 47.87 1.900 24 0.046 4 2 27.52 3.242 48 4.6 8 6 4 40.03 2.252 48 0.18 8 8 6 48.03 1.894 24 0.197 3 1 28.26 3.158 48 0.19 10 4 2 40.75 2.214 48 0.03 12 4 2 48.03 1.894 48 0.135 5 3 28.26 3.158 24 0.07 7 7 5 41.28 2.187 24 0.24 10 8 2 48.65 1.872 48 1.17 3 3 30.16 2.964 24 1.5 11 1 1 41.28 2.187 24 0.38 9 9 3 49.11 1.855 24 0.076 4 4 30.38 2.942 24 0.08 8 8 0 42.14 2.144 12 0.56 11 7 1 49.11 1.855 48 0.066 6 0 31.29 2.859 12 1.9 11 3 1 42.66 2.119 48 0.04

FAU

Na-Y

,Siliceous

504030201002 theta (°)

20

18

16

14

12

10

8

6

4

2

0

FAU Li-LSX

CHEMICAL COMPOSITION: |Li96| [Si96Al96O384]

REFINED COMPOSITION: |Li87.36| [Si96Al96O384]

CRYSTAL DATA: Fd3 (No. 203; origin at centre 3 )a = 25.6957 A b = 25.6957 A c = 25.6957 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦

X-ray and neutron Rietveld refinement, Rp = 0.057, Rwp = 0.069

REFERENCE: M. Feuerstein and R. F. Lobo,Chemistry of Materials 2197–2204 (1998).


1 1 1 5.96 14.835 8 100.0 9 1 1 31.72 2.820 24 0.03 10 6 2 41.58 2.172 24 0.022 2 0 9.74 9.085 12 9.6 8 2 4 31.92 2.804 24 0.07 8 8 4 42.20 2.141 24 0.573 1 1 11.42 7.748 24 9.9 8 4 2 31.92 2.804 24 0.02 12 0 0 42.20 2.141 6 0.082 2 2 11.93 7.418 8 0.01 6 6 4 32.69 2.739 24 2.1 11 5 1 42.66 2.119 24 0.044 0 0 13.78 6.424 6 0.02 9 1 3 33.26 2.694 24 0.23 11 1 5 42.66 2.119 24 0.093 3 1 15.03 5.895 24 12.3 9 3 1 33.26 2.694 24 0.13 9 5 7 43.86 2.064 24 0.034 2 2 16.90 5.245 24 0.14 8 4 4 34.19 2.623 24 0.21 9 7 5 43.86 2.064 24 0.015 1 1 17.94 4.945 24 1.8 7 7 1 34.74 2.583 24 0.20 12 4 0 44.60 2.031 12 0.013 3 3 17.94 4.945 8 0.09 7 5 5 34.74 2.583 24 0.09 9 9 1 45.04 2.013 24 0.024 4 0 19.54 4.542 12 3.0 8 6 2 35.63 2.520 24 0.06 12 2 4 45.19 2.006 24 0.145 3 1 20.45 4.343 24 0.20 8 2 6 35.63 2.520 24 0.05 12 4 2 45.19 2.006 24 0.174 4 2 20.74 4.283 24 0.08 10 0 2 35.63 2.520 12 0.01 8 8 6 45.19 2.006 24 0.106 2 0 21.88 4.063 12 0.41 9 1 5 36.16 2.484 24 0.04 10 2 8 45.77 1.982 24 0.136 0 2 21.88 4.063 12 0.15 6 6 6 36.33 2.473 8 2.1 10 8 2 45.77 1.982 24 0.265 3 3 22.69 3.919 24 5.7 10 2 2 36.33 2.473 24 0.16 13 1 1 46.20 1.965 24 0.016 2 2 22.96 3.874 24 0.06 9 5 3 37.53 2.396 24 0.04 11 1 7 46.20 1.965 24 0.014 4 4 23.99 3.709 8 0.46 9 3 5 37.53 2.396 24 0.03 11 5 5 46.20 1.965 24 0.045 5 1 24.74 3.598 24 0.25 8 4 6 37.70 2.386 24 0.09 9 9 3 46.20 1.965 24 0.036 4 2 25.95 3.434 24 2.5 8 6 4 37.70 2.386 24 0.20 12 4 4 46.91 1.937 24 0.076 2 4 25.95 3.434 24 1.4 11 1 1 38.87 2.317 24 0.15 11 3 7 47.33 1.921 24 0.015 5 3 26.65 3.345 24 0.11 7 7 5 38.87 2.317 24 0.84 13 1 3 47.33 1.921 24 0.017 1 3 26.65 3.345 24 0.02 8 8 0 39.68 2.271 12 0.01 9 7 7 47.33 1.921 24 0.217 3 1 26.65 3.345 24 0.02 11 3 1 40.17 2.245 24 0.08 11 7 3 47.33 1.921 24 0.027 3 3 28.43 3.139 24 0.64 9 7 1 40.17 2.245 24 0.04 12 2 6 48.03 1.894 24 0.046 4 4 28.65 3.116 24 0.02 9 5 5 40.17 2.245 24 0.10 12 6 2 48.03 1.894 24 0.066 6 0 29.50 3.028 12 1.1 11 1 3 40.17 2.245 24 0.05 9 9 5 48.44 1.879 24 0.578 2 2 29.50 3.028 24 0.36 9 1 7 40.17 2.245 24 0.06 13 3 3 48.44 1.879 24 0.087 1 5 30.12 2.967 24 0.12 8 6 6 40.96 2.203 24 0.11 8 8 8 49.13 1.854 8 0.115 5 5 30.12 2.967 8 3.6 10 6 0 40.96 2.203 12 0.07 11 7 5 49.54 1.840 24 0.037 5 1 30.12 2.967 24 0.05 10 0 6 40.96 2.203 12 0.09 13 5 1 49.54 1.840 24 0.028 0 4 31.13 2.873 12 0.25 11 3 3 41.43 2.179 24 0.32 11 5 7 49.54 1.840 24 0.118 4 0 31.13 2.873 12 0.34 9 3 7 41.43 2.179 24 0.22 13 1 5 49.54 1.840 24 0.017 5 3 31.72 2.820 24 0.43 9 7 3 41.43 2.179 24 0.207 3 5 31.72 2.820 24 0.17 10 2 6 41.58 2.172 24 0.02

FAU

Li-L

SX

504030201002 theta (°)

14

12

10

8

6

4

2

0

FER Ferrierite

CHEMICAL COMPOSITION: |Na1.5Mg2(H2O)18| [Si30.5Al5.5O72]Kamloops Lake, British Columbia, Canada

REFINED COMPOSITION: |Na0.96Mg2(H2O)12| [Si30.24Al5.76O72]

CRYSTAL DATA: Immm (No. 71)a = 19.156 A b = 14.127 A c = 7.489 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: P. A. Vaughan,Acta Cryst. 21 983–990 (1966).


1 1 0 7.78 11.370 4 58.8 4 2 2 32.90 2.722 8 3.6 4 6 0 42.80 2.113 4 2.52 0 0 9.23 9.578 2 100.0 7 1 0 33.35 2.687 4 0.90 9 1 0 42.97 2.105 4 0.480 2 0 12.53 7.063 2 9.2 3 3 2 33.65 2.664 8 0.04 5 0 3 43.26 2.092 4 0.021 0 1 12.69 6.975 4 13.7 0 5 1 33.91 2.644 4 4.2 7 4 1 43.55 2.078 8 0.080 1 1 13.38 6.617 4 7.9 5 1 2 34.08 2.631 8 0.68 8 3 1 44.12 2.053 8 0.013 1 0 15.23 5.819 4 26.1 3 5 0 34.72 2.584 4 2.8 9 0 1 44.24 2.047 4 1.42 2 0 15.59 5.685 4 2.5 7 0 1 34.91 2.570 4 0.73 6 5 1 44.49 2.036 8 0.672 1 1 16.28 5.444 8 0.17 0 4 2 34.92 2.569 4 1.1 1 4 3 44.70 2.027 8 0.191 2 1 17.87 4.963 8 5.5 2 5 1 35.22 2.548 8 0.09 8 0 2 44.93 2.017 4 0.483 0 1 18.26 4.859 4 0.45 6 3 1 36.04 2.492 8 0.78 1 7 0 45.18 2.007 4 0.164 0 0 18.53 4.789 2 2.2 2 4 2 36.20 2.482 8 1.3 5 2 3 45.21 2.005 8 3.11 3 0 19.41 4.573 4 1.8 1 0 3 36.29 2.475 4 0.15 4 3 3 45.26 2.003 8 0.033 2 1 22.21 4.003 8 26.2 0 1 3 36.55 2.458 4 0.06 6 4 2 45.30 2.002 8 1.80 3 1 22.30 3.986 4 7.7 5 4 1 36.63 2.453 8 0.02 7 3 2 45.34 2.000 8 0.304 2 0 22.43 3.964 4 21.1 6 0 2 37.00 2.429 4 2.8 0 6 2 45.51 1.993 4 0.234 1 1 22.92 3.879 8 15.0 7 2 1 37.22 2.415 8 0.59 8 4 0 45.78 1.982 4 1.23 3 0 23.47 3.790 4 16.8 8 0 0 37.56 2.395 2 0.16 9 2 1 46.16 1.966 8 1.50 0 2 23.76 3.744 2 3.6 6 4 0 37.99 2.368 4 0.15 7 5 0 46.18 1.966 4 0.085 1 0 24.07 3.698 4 6.7 7 3 0 38.03 2.366 4 3.3 0 7 1 46.61 1.949 4 1.71 1 2 25.04 3.557 8 15.7 0 6 0 38.22 2.355 2 0.01 6 1 3 46.63 1.948 8 0.560 4 0 25.22 3.532 2 29.2 1 2 3 38.54 2.336 8 0.61 5 5 2 46.74 1.944 8 0.222 0 2 25.54 3.487 4 35.6 5 3 2 38.68 2.328 8 0.08 3 4 3 46.78 1.942 8 0.195 0 1 26.13 3.411 4 6.1 3 0 3 38.73 2.325 4 0.23 8 2 2 46.83 1.940 8 0.152 4 0 26.91 3.314 4 6.8 4 5 1 38.91 2.314 8 2.2 9 3 0 46.84 1.940 4 2.00 2 2 26.95 3.308 4 0.61 6 2 2 39.21 2.297 8 0.40 5 6 1 46.89 1.938 8 0.246 0 0 27.95 3.193 2 1.2 2 6 0 39.41 2.286 4 0.15 3 7 0 47.23 1.924 4 2.31 4 1 28.32 3.151 8 1.6 5 5 0 39.63 2.274 4 0.16 10 0 0 47.46 1.916 2 0.333 1 2 28.34 3.149 8 13.5 8 2 0 39.75 2.268 4 0.30 2 7 1 47.62 1.910 8 0.072 2 2 28.54 3.127 8 1.8 4 4 2 39.81 2.264 8 1.1 6 6 0 48.01 1.895 4 0.075 2 1 29.07 3.071 8 9.2 8 1 1 40.04 2.252 8 0.72 0 0 4 48.63 1.872 2 5.74 3 1 29.15 3.064 8 0.13 1 5 2 40.26 2.240 8 0.83 0 5 3 48.67 1.871 4 0.055 3 0 30.07 2.972 4 7.6 1 6 1 40.43 2.231 8 0.14 10 2 0 49.29 1.849 4 0.014 0 2 30.30 2.950 4 2.3 3 2 3 40.86 2.208 8 0.08 1 1 4 49.33 1.847 8 0.396 2 0 30.73 2.909 4 0.22 0 3 3 40.92 2.206 4 0.04 4 6 2 49.53 1.840 8 0.321 3 2 30.86 2.897 8 5.1 4 1 3 41.28 2.187 8 0.72 10 1 1 49.54 1.840 8 0.026 1 1 31.10 2.875 8 0.76 7 1 2 41.36 2.183 8 0.18 2 0 4 49.61 1.837 4 0.313 4 1 31.31 2.857 8 0.20 2 3 3 42.04 2.149 8 1.9 2 5 3 49.65 1.836 8 0.414 4 0 31.47 2.842 4 0.75 3 5 2 42.51 2.127 8 0.37 9 1 2 49.69 1.835 8 0.021 5 0 32.02 2.795 4 0.38 3 6 1 42.67 2.119 8 0.58

FER

Ferrierite

504030201002 theta (°)

60

50

40

30

20

10

0

FER Ferrierite, Siliceous

CHEMICAL COMPOSITION: [Si36O72]Dealuminated, synthetic powder.


CRYSTAL DATA: Pnnm (No. 58)a = 14.07025 A b = 7.41971 A c = 18.7202 Aα = 90◦ β = 90◦ γ = 90◦

Combined X-ray and neutron Rietveld refinement, Rwp = 0.123

REFERENCE: R. E. Morris, S. J. Weigel, N. J. Henson, L. M. Bull, M. T. Janicke,B. F. Chmelka and A. K. Cheetham,J. Amer. Chem. Soc. 116 11849–11855 (1994).


1 0 1 7.86 11.248 4 1.9 3 2 1 31.11 2.875 8 1.9 1 2 7 42.15 2.144 8 0.060 0 2 9.45 9.360 2 100.0 2 0 6 31.36 2.852 4 0.27 3 3 2 42.43 2.130 8 1.02 0 0 12.58 7.035 2 16.2 1 2 4 31.42 2.847 8 0.14 3 2 6 42.48 2.128 8 0.140 1 1 12.83 6.898 4 28.3 4 1 3 31.59 2.832 8 0.03 2 1 8 42.50 2.127 8 0.101 1 0 13.49 6.563 4 13.5 1 1 6 31.75 2.818 8 0.58 5 2 3 42.86 2.110 8 0.121 1 1 14.30 6.193 8 0.14 4 0 4 31.82 2.812 4 0.14 6 1 3 42.97 2.105 8 0.141 0 3 15.53 5.704 4 5.1 5 0 1 32.17 2.783 4 0.06 6 0 4 43.15 2.097 4 0.922 0 2 15.76 5.624 4 7.1 3 2 2 32.22 2.778 8 0.28 2 3 4 43.33 2.088 8 0.081 1 2 16.50 5.374 8 1.1 2 2 4 33.35 2.687 8 1.3 1 0 9 44.01 2.058 4 0.082 1 0 17.37 5.105 4 0.35 2 1 6 33.66 2.662 8 0.06 4 1 7 44.26 2.046 8 0.042 1 1 18.01 4.925 8 0.55 3 2 3 34.00 2.637 8 0.14 1 3 5 44.37 2.042 8 0.040 1 3 18.58 4.776 4 0.03 5 1 0 34.07 2.631 4 2.1 6 1 4 44.93 2.018 8 0.150 0 4 18.96 4.680 2 3.8 4 1 4 34.10 2.629 8 0.16 4 3 1 45.07 2.011 8 0.143 0 1 19.51 4.549 4 0.27 1 0 7 34.13 2.627 4 0.09 5 1 6 45.07 2.011 8 0.982 1 2 19.81 4.482 8 0.11 1 2 5 34.63 2.590 8 0.54 0 1 9 45.28 2.003 4 0.883 1 0 22.43 3.964 4 5.1 5 0 3 34.98 2.565 4 0.96 7 0 1 45.38 1.999 4 0.042 1 3 22.50 3.951 8 12.9 4 2 0 35.16 2.553 4 0.54 1 1 9 45.76 1.983 8 0.062 0 4 22.82 3.897 4 8.8 5 1 2 35.44 2.533 8 0.08 6 2 0 45.77 1.982 4 0.181 1 4 23.34 3.810 8 7.1 4 2 1 35.49 2.529 8 0.14 2 3 5 45.82 1.980 8 2.13 0 3 23.73 3.749 4 11.9 0 1 7 35.69 2.516 4 0.56 0 2 8 45.85 1.979 4 0.510 2 0 23.99 3.710 2 3.7 3 2 4 36.36 2.471 8 0.10 4 3 2 45.89 1.978 8 0.051 0 5 24.60 3.618 4 5.3 2 2 5 36.41 2.468 8 0.04 4 2 6 45.93 1.976 8 1.21 2 0 24.82 3.587 4 0.16 4 2 2 36.48 2.463 8 1.0 6 2 1 46.04 1.971 8 0.121 2 1 25.28 3.523 8 7.7 0 3 1 36.65 2.452 4 0.52 3 2 7 46.10 1.969 8 0.114 0 0 25.32 3.518 2 15.2 3 1 6 36.65 2.452 8 0.77 1 2 8 46.32 1.960 8 0.182 1 4 25.82 3.450 8 0.56 1 3 0 36.90 2.436 4 0.36 4 0 8 46.62 1.948 4 0.300 2 2 25.83 3.449 4 16.4 1 3 1 37.22 2.416 8 0.08 7 1 0 46.83 1.940 4 1.01 2 2 26.61 3.350 8 0.53 0 2 6 37.67 2.388 4 1.5 2 1 9 47.18 1.926 8 0.640 1 5 26.67 3.343 4 3.3 2 1 7 37.98 2.369 8 0.59 4 3 3 47.23 1.925 8 0.224 0 2 27.08 3.293 4 5.9 1 3 2 38.18 2.357 8 0.15 5 2 5 47.25 1.924 8 0.152 2 0 27.17 3.282 4 0.18 1 2 6 38.23 2.354 8 0.21 1 3 6 47.34 1.920 8 0.201 1 5 27.42 3.252 8 0.36 6 0 0 38.38 2.345 2 0.03 6 1 5 47.35 1.920 8 0.362 2 1 27.60 3.232 8 0.13 0 0 8 38.47 2.340 2 0.16 7 0 3 47.52 1.913 4 2.24 1 0 28.07 3.178 4 0.08 4 0 6 38.57 2.334 4 0.19 2 2 8 47.73 1.905 8 0.124 1 1 28.48 3.134 8 0.68 3 0 7 38.76 2.323 4 1.1 3 0 9 47.84 1.901 4 1.80 0 6 28.61 3.120 2 0.47 5 1 4 39.28 2.294 8 0.75 6 2 3 48.17 1.889 8 0.061 2 3 28.70 3.110 8 8.2 6 0 2 39.62 2.275 4 0.30 3 3 5 48.17 1.889 8 0.092 2 2 28.83 3.097 8 0.91 2 2 6 39.87 2.261 8 0.54 4 1 8 48.30 1.884 8 0.113 1 4 29.53 3.025 8 0.07 5 0 5 40.08 2.250 4 0.27 5 1 7 48.54 1.876 8 0.032 1 5 29.59 3.019 8 4.2 4 2 4 40.24 2.241 8 0.44 0 0 10 48.64 1.872 2 0.054 1 2 29.68 3.010 8 0.10 6 1 0 40.33 2.236 4 0.23 2 3 6 48.73 1.869 8 0.033 0 5 30.55 2.926 4 2.5 5 2 1 40.52 2.226 8 0.84 0 4 0 49.11 1.855 2 2.43 2 0 30.73 2.910 4 0.15 3 1 7 40.70 2.217 8 0.31 1 4 0 49.57 1.839 4 0.270 2 4 30.75 2.907 4 1.0 1 1 8 40.94 2.204 8 0.14 1 4 1 49.82 1.830 8 0.032 2 3 30.78 2.904 8 0.04 1 3 4 41.80 2.161 8 0.29 6 2 4 49.97 1.825 8 0.20

FER

Ferrierite,

Siliceous

504030201002 theta (°)

30

25

20

15

10

5

0

FRA Franzinite

CHEMICAL COMPOSITION: |Na20.56K6.7Ca11.7(SO4)10Cl0.3F0.1(H2O)2| [Si29.8Al30.2O119.7]Sacrofano, Latium, Italy

REFINED COMPOSITION: |Ca30.72S22O70(H2O)6| [Si30Al30O120]



REFERENCE: P. Ballirano, E. Bonaccorsi, A. Maras and S. Merlino,Canadian Mineralogist 38 657–668 (2000).


0 0 1 3.33 26.543 2 85.0 2 2 0 27.62 3.229 6 10.5 3 2 4 37.58 2.393 12 1.10 0 2 6.66 13.271 2 4.8 2 2 1 27.83 3.205 12 0.57 4 0 6 38.07 2.364 6 0.571 0 0 7.90 11.186 6 0.81 1 0 8 28.05 3.181 6 0.94 0 4 6 38.07 2.364 6 3.51 0 1 8.58 10.308 6 9.8 0 1 8 28.05 3.181 6 0.60 3 0 9 38.94 2.313 6 2.90 0 3 10.00 8.848 2 2.3 2 0 7 28.44 3.139 6 6.6 1 4 4 39.33 2.291 12 0.491 0 2 10.34 8.553 6 13.1 1 2 6 29.22 3.056 12 6.9 1 3 8 39.78 2.266 12 0.530 1 2 10.34 8.553 6 8.6 2 1 6 29.22 3.056 12 1.6 0 4 7 40.06 2.251 6 10.90 1 3 12.76 6.939 6 0.45 0 3 5 29.27 3.051 6 0.58 4 0 7 40.06 2.251 6 0.631 0 3 12.76 6.939 6 35.7 2 2 3 29.45 3.033 12 0.46 2 2 9 41.47 2.178 12 2.21 1 0 13.71 6.458 6 37.5 3 1 2 29.57 3.021 12 1.8 3 0 10 41.77 2.162 6 9.71 1 1 14.11 6.275 12 15.0 1 3 2 29.57 3.021 12 1.5 0 3 10 41.77 2.162 6 2.61 1 2 15.26 5.807 12 4.1 1 1 8 30.28 2.951 12 0.47 3 3 0 41.97 2.153 6 17.81 0 4 15.53 5.707 6 4.2 0 0 9 30.31 2.949 2 2.4 2 3 7 42.54 2.125 12 1.30 0 5 16.70 5.309 2 0.93 1 3 3 30.53 2.928 12 2.9 4 2 0 42.78 2.114 12 0.541 1 3 17.00 5.216 12 2.2 3 1 3 30.53 2.928 12 1.9 2 4 1 42.92 2.107 12 0.812 0 2 17.20 5.154 6 1.6 2 2 4 30.79 2.903 12 0.47 2 2 10 44.17 2.050 12 0.460 2 2 17.20 5.154 6 1.5 0 2 8 31.35 2.854 6 0.44 2 3 8 44.64 2.030 12 1.11 0 5 18.50 4.796 6 0.74 0 1 9 31.37 2.852 6 1.8 0 4 9 44.65 2.029 6 1.40 1 5 18.50 4.796 6 2.6 4 0 0 32.00 2.796 6 2.6 0 3 11 44.73 2.026 6 0.802 0 3 18.77 4.727 6 0.49 4 0 1 32.19 2.781 6 0.45 5 1 0 45.13 2.009 12 0.760 2 3 18.77 4.727 6 26.0 0 4 1 32.19 2.781 6 0.73 5 1 1 45.27 2.003 12 0.772 0 4 20.77 4.276 6 1.4 2 2 5 32.45 2.759 12 1.4 5 0 6 45.43 1.996 6 0.580 2 4 20.77 4.276 6 15.2 0 4 2 32.73 2.736 6 2.6 5 1 2 45.67 1.986 12 0.752 1 1 21.28 4.175 12 1.6 1 1 9 33.40 2.683 12 1.9 2 4 5 46.22 1.964 12 0.421 2 1 21.28 4.175 12 0.56 3 1 5 33.45 2.678 12 0.75 2 1 12 46.32 1.960 12 0.591 0 6 21.60 4.114 6 5.5 4 0 3 33.61 2.666 6 13.7 5 1 3 46.34 1.959 12 1.60 1 6 21.60 4.114 6 16.7 0 4 3 33.61 2.666 6 1.8 3 2 9 46.93 1.936 12 1.41 1 5 21.67 4.101 12 2.2 3 0 7 33.71 2.659 6 0.60 2 3 9 46.93 1.936 12 0.651 2 2 22.07 4.028 12 0.70 0 0 10 33.77 2.654 2 12.9 5 0 7 47.17 1.927 6 2.02 1 2 22.07 4.028 12 4.0 2 0 9 34.38 2.609 6 0.74 4 0 10 47.21 1.925 6 0.682 1 3 23.32 3.815 12 85.9 4 0 4 34.81 2.577 6 3.1 0 4 10 47.21 1.925 6 1.11 2 3 23.32 3.815 12 3.1 0 4 4 34.81 2.577 6 1.1 5 1 4 47.27 1.923 12 1.83 0 0 23.86 3.729 6 100.0 2 3 1 35.13 2.554 12 0.97 4 2 6 47.68 1.907 12 0.790 3 1 24.10 3.692 6 1.1 1 3 6 35.34 2.540 12 1.1 4 1 9 48.41 1.880 12 2.21 1 6 24.39 3.650 12 0.44 3 1 6 35.34 2.540 12 5.0 1 4 9 48.41 1.880 12 0.790 1 7 24.79 3.591 6 55.3 0 3 8 36.24 2.479 6 0.52 1 5 5 48.45 1.879 12 0.721 0 7 24.79 3.591 6 1.0 3 0 8 36.24 2.479 6 1.8 5 1 5 48.45 1.879 12 0.863 0 2 24.80 3.590 6 1.6 0 4 5 36.31 2.474 6 1.4 1 0 14 48.71 1.869 6 2.32 1 4 24.97 3.566 12 69.1 4 0 5 36.31 2.474 6 0.75 6 0 0 48.85 1.864 6 0.851 2 4 24.97 3.566 12 9.0 3 2 3 36.46 2.465 12 5.1 4 2 7 49.36 1.846 12 0.980 2 6 25.67 3.470 6 0.52 1 1 10 36.60 2.455 12 4.6 1 2 13 49.58 1.839 12 1.002 0 6 25.67 3.470 6 2.8 4 1 0 36.82 2.441 12 7.3 2 1 13 49.58 1.839 12 1.30 3 3 25.93 3.436 6 1.9 1 4 1 36.98 2.431 12 0.78 1 5 6 49.85 1.829 12 1.41 2 5 26.96 3.307 12 10.5 1 2 9 37.17 2.419 12 0.59 0 4 11 49.92 1.827 6 0.712 1 5 26.96 3.307 12 12.3 3 1 7 37.45 2.401 12 7.6 4 0 11 49.92 1.827 6 0.65

FRA

Franzinite

504030201002 theta (°)

100

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30

20

10

0

GIS Gismondine

CHEMICAL COMPOSITION: |Ca3.68(H2O)17.2| [Si8.8Al7.2O32]Hohenberg, Buhne, Westfalia

REFINED COMPOSITION: |Ca3.68(H2O)17.28| [Si8.8Al7.2O32]

CRYSTAL DATA: P11 21/a (No. 14; unique axis c, cell choice 1)a = 9.843 A b = 10.023 A c = 10.616 Aα = 90◦ β = 90◦ γ = 92.417◦


REFERENCE: K. F. Fischer and V. Schramm,In Molecular Sieve Zeolites - I (ACS Adv. Chem. Ser. No. 101 ),Ed. by E. M. Flanigen and L. B. Sand(American Chemical Society: Washington, DC) 250–258 (1971).


0 1 0 8.83 10.014 2 5.6 1 2 3 32.50 2.755 4 2.8 2 3 3 42.00 2.151 4 4.50 1 1 12.15 7.285 4 69.0 2 1 3 32.64 2.743 4 6.7 2 4 1 42.05 2.149 4 0.881 0 1 12.27 7.214 4 23.5 1 -3 2 32.66 2.742 4 49.6 3 2 3 42.19 2.142 4 0.621 -1 1 14.91 5.941 4 8.5 2 -3 1 32.89 2.723 4 9.1 2 -2 4 42.37 2.133 4 5.81 1 1 15.36 5.770 4 21.1 3 -1 2 33.03 2.712 4 47.6 2 2 4 43.06 2.101 4 5.90 0 2 16.70 5.308 2 3.1 2 3 0 33.06 2.709 2 4.5 0 1 5 43.57 2.077 4 4.70 2 0 17.71 5.007 2 16.4 3 -2 1 33.12 2.705 4 6.2 1 0 5 43.61 2.075 4 0.312 0 0 18.04 4.917 2 76.7 1 3 2 33.30 2.690 4 58.4 3 0 4 43.89 2.063 4 1.10 1 2 18.92 4.690 4 0.73 3 1 2 33.66 2.662 4 23.3 0 4 3 44.32 2.044 4 2.11 0 2 19.00 4.671 4 14.9 0 0 4 33.77 2.654 2 39.1 1 -3 4 44.33 2.043 4 5.90 2 1 19.60 4.529 4 1.2 2 3 1 34.16 2.625 4 18.2 1 -1 5 44.50 2.036 4 0.452 -1 0 19.78 4.489 2 6.2 3 2 1 34.38 2.609 4 7.5 3 -1 4 44.61 2.031 4 8.42 0 1 19.90 4.462 4 10.9 1 0 4 35.02 2.562 4 4.2 2 4 2 44.69 2.028 4 1.42 1 0 20.45 4.342 2 3.8 2 -2 3 35.65 2.518 4 9.9 1 3 4 44.83 2.022 4 0.411 -1 2 20.82 4.266 4 100.0 0 4 0 35.87 2.504 2 2.5 4 -3 0 44.85 2.021 2 0.391 1 2 21.15 4.201 4 39.3 1 -1 4 36.09 2.489 4 2.9 1 -4 3 44.99 2.015 4 1.71 -2 1 21.28 4.174 4 28.7 2 -3 2 36.09 2.489 4 0.38 3 1 4 45.11 2.010 4 8.02 -1 1 21.49 4.135 4 5.4 1 1 4 36.28 2.476 4 0.96 0 5 0 45.28 2.003 2 1.71 2 1 21.92 4.055 4 24.0 3 -2 2 36.30 2.475 4 2.5 3 -4 1 45.46 1.995 4 0.652 1 1 22.12 4.019 4 6.9 2 2 3 36.44 2.465 4 4.7 4 -1 3 45.52 1.993 4 0.600 2 2 24.44 3.642 4 4.9 4 0 0 36.55 2.459 2 2.3 4 -3 1 45.70 1.985 4 2.72 0 2 24.68 3.607 4 3.7 0 3 3 37.02 2.428 4 1.9 3 -3 3 45.82 1.980 4 0.672 -2 0 24.84 3.585 2 4.6 3 0 3 37.39 2.405 4 9.3 0 5 1 46.12 1.968 4 6.21 -2 2 25.82 3.450 4 2.5 4 0 1 37.55 2.395 4 2.6 4 1 3 46.17 1.966 4 1.22 2 0 25.93 3.437 2 0.41 1 -4 1 37.66 2.388 4 5.6 5 0 1 46.98 1.934 4 8.12 -1 2 25.99 3.428 4 10.2 4 1 0 38.05 2.365 2 0.91 2 -3 4 47.04 1.932 4 0.332 -2 1 26.24 3.396 4 1.4 4 -1 1 38.28 2.351 4 2.8 1 -2 5 47.26 1.923 4 1.41 2 2 26.35 3.382 4 3.7 0 2 4 38.39 2.345 4 1.1 3 3 3 47.26 1.923 4 0.462 1 2 26.52 3.361 4 4.2 1 3 3 38.46 2.341 4 0.42 3 4 1 47.39 1.918 4 3.80 3 0 26.71 3.338 2 0.41 2 0 4 38.55 2.336 4 8.9 1 5 1 47.49 1.915 4 1.20 1 3 26.72 3.336 4 19.1 3 -3 1 38.62 2.331 4 1.4 5 -1 1 47.51 1.914 4 3.21 0 3 26.77 3.330 4 18.8 1 -2 4 39.32 2.291 4 2.5 1 2 5 47.58 1.911 4 0.972 2 1 27.28 3.270 4 1.0 1 2 4 39.69 2.271 4 4.9 2 -4 3 47.59 1.911 4 2.70 3 1 28.02 3.184 4 86.4 2 -4 0 39.70 2.270 2 0.68 4 3 1 47.63 1.909 4 2.33 0 1 28.50 3.132 4 69.1 0 4 2 39.81 2.264 4 2.8 2 1 5 47.68 1.907 4 0.401 -3 1 29.13 3.066 4 1.3 4 -2 0 40.17 2.245 2 6.5 3 -4 2 47.95 1.897 4 2.23 -1 1 29.54 3.024 4 5.0 4 0 2 40.43 2.231 4 1.1 5 1 1 48.30 1.884 4 3.11 3 1 29.84 2.994 4 13.3 2 -4 1 40.64 2.220 4 0.57 0 5 2 48.59 1.874 4 0.442 -2 2 30.08 2.971 4 0.58 4 -2 1 41.10 2.196 4 1.2 2 4 3 48.84 1.865 4 0.560 2 3 30.94 2.890 4 0.61 4 -1 2 41.11 2.195 4 2.7 1 -5 2 49.13 1.854 4 6.52 0 3 31.14 2.872 4 2.2 3 -2 3 41.13 2.194 4 0.42 2 -5 1 49.14 1.854 4 2.30 3 2 31.66 2.826 4 1.8 2 4 0 41.14 2.194 2 8.6 4 2 3 49.24 1.850 4 4.62 -3 0 31.76 2.818 2 4.8 1 4 2 41.25 2.188 4 1.1 1 5 2 49.90 1.828 4 0.363 0 2 32.09 2.789 4 2.5 4 2 0 41.60 2.171 2 1.5 2 -2 5 49.92 1.827 4 0.282 -1 3 32.21 2.779 4 3.6 4 1 2 41.82 2.160 4 0.93 5 -1 2 49.92 1.827 4 4.1

GIS

Gism

ondine

504030201002 theta (°)

100

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50

40

30

20

10

0

GIS Amicite

CHEMICAL COMPOSITION: |Na3.6K3.76(H2O)9.86| [Si8Al8O32]Hoewenneg, Hegau, Germany

REFINED COMPOSITION: |Na3.6K3.76(H2O)9.86| [Si8Al8O32]

CRYSTAL DATA: I121 (No. 5; unique axis b, cell choice 3)a = 10.226 A b = 10.422 A c = 9.884 Aα = 90◦ β = 88.315◦ γ = 90◦


REFERENCE: A. Alberti and G. Vezzalini,Acta Cryst. B35 2866–2869 (1979).


1 1 0 12.13 7.298 4 100.0 2 1 3 33.06 2.710 4 5.3 2 2 4 43.83 2.066 4 0.231 0 1 12.27 7.211 2 0.77 1 2 3 33.14 2.703 4 58.0 -4 2 2 43.95 2.060 4 0.190 1 1 12.34 7.170 4 21.7 -3 1 2 33.51 2.674 4 21.2 1 5 0 44.35 2.042 4 0.67

-1 0 1 12.64 7.002 2 2.7 -1 2 3 33.57 2.669 4 7.6 0 5 1 44.42 2.040 4 0.290 2 0 17.01 5.211 2 3.8 -2 1 3 33.92 2.643 4 2.9 3 4 1 44.57 2.033 4 3.02 0 0 17.35 5.111 2 67.1 0 4 0 34.42 2.605 2 39.7 -2 2 4 44.74 2.026 4 2.00 0 2 17.96 4.940 2 54.7 0 0 4 36.37 2.470 2 7.2 4 3 1 44.76 2.025 4 5.31 2 1 21.03 4.224 4 96.4 1 4 1 36.67 2.450 4 1.6 -3 4 1 44.90 2.019 4 0.392 1 1 21.13 4.204 4 6.9 -1 4 1 36.81 2.442 4 0.07 5 0 1 45.02 2.014 2 0.69

-1 2 1 21.25 4.180 4 53.0 3 3 0 36.95 2.433 4 0.44 1 4 3 45.09 2.011 4 1.61 1 2 21.51 4.131 4 3.6 4 1 1 37.10 2.424 4 10.8 4 1 3 45.11 2.010 4 0.07

-2 1 1 21.57 4.120 4 11.7 3 0 3 37.42 2.404 2 0.17 5 1 0 45.20 2.006 4 4.9-1 1 2 21.94 4.051 4 8.8 -4 1 1 37.62 2.391 4 0.51 -4 3 1 45.21 2.006 4 0.752 2 0 24.39 3.649 4 8.7 0 3 3 37.63 2.390 4 4.1 -1 4 3 45.42 1.997 4 5.32 0 2 24.69 3.605 2 0.32 1 1 4 38.22 2.355 4 4.3 3 1 4 45.56 1.991 4 0.870 2 2 24.83 3.585 4 5.7 -3 0 3 38.57 2.334 2 0.63 -5 0 1 45.58 1.990 2 2.3

-2 0 2 25.44 3.501 2 0.23 -1 1 4 38.73 2.325 4 7.9 1 3 4 45.73 1.984 4 0.051 3 0 27.11 3.289 4 26.8 2 4 0 38.79 2.321 4 0.51 -1 3 4 46.17 1.966 4 0.780 3 1 27.21 3.277 4 2.9 0 4 2 39.09 2.305 4 7.0 -4 1 3 46.44 1.955 4 0.243 0 1 27.44 3.251 2 0.97 4 0 2 39.21 2.297 2 0.06 1 0 5 46.55 1.951 2 0.023 1 0 27.54 3.239 4 49.2 4 2 0 39.27 2.294 4 3.9 0 1 5 46.79 1.941 4 4.9

-3 0 1 27.95 3.192 2 0.17 2 0 4 40.07 2.250 2 6.3 -3 1 4 46.88 1.938 4 1.91 0 3 28.22 3.162 2 0.25 -4 0 2 40.21 2.243 2 5.6 -1 0 5 47.10 1.929 2 0.100 1 3 28.42 3.140 4 89.4 0 2 4 40.41 2.232 4 1.6 2 5 1 47.92 1.898 4 0.37

-1 0 3 28.72 3.108 2 2.1 3 3 2 41.01 2.201 4 1.4 1 5 2 48.11 1.891 4 0.232 2 2 30.14 2.965 4 9.6 -2 0 4 41.05 2.199 2 0.10 -2 5 1 48.14 1.890 4 0.08

-2 2 2 30.77 2.906 4 0.38 2 3 3 41.36 2.183 4 1.9 -1 5 2 48.32 1.884 4 1.22 3 1 32.30 2.771 4 7.0 3 2 3 41.37 2.183 4 0.50 5 2 1 48.46 1.878 4 5.33 2 1 32.46 2.758 4 36.6 -3 3 2 41.73 2.164 4 2.5 5 1 2 48.48 1.878 4 3.61 3 2 32.56 2.750 4 1.7 -2 3 3 42.08 2.147 4 0.34 -5 2 1 48.99 1.859 4 2.2

-2 3 1 32.60 2.747 4 0.67 -3 2 3 42.44 2.130 4 0.20 -5 1 2 49.53 1.840 4 1.43 1 2 32.64 2.744 4 13.4 2 4 2 42.82 2.112 4 12.2 2 1 5 49.76 1.832 4 0.40

-1 3 2 32.85 2.726 4 11.5 4 2 2 43.03 2.102 4 0.87 1 2 5 49.92 1.827 4 3.9-3 2 1 32.90 2.722 4 85.8 -2 4 2 43.29 2.090 4 11.4 4 4 0 49.99 1.824 4 14.0

GIS

Am

icite

504030201002 theta (°)

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0

GIS Garronite

CHEMICAL COMPOSITION: |Na0.8Ca2.82(H2O)12.08| [Si10.4Al5.6O32]Goble, Oregon, U.S.A.

REFINED COMPOSITION: |Na0.8Ca2.82(H2O)12.08| [Si10.4Al5.6O32]

CRYSTAL DATA: I4m2 (No. 119)a = 9.9266 A b = 9.9266 A c = 10.3031 Aα = 90◦ β = 90◦ γ = 90◦

X-ray Rietveld refinement, Rexp = 0.047, Rwp = 0.127, RF2 = 0.111

REFERENCE: G. Artioli,American Mineralogist 77 189–196 (1992).


1 0 1 12.38 7.149 8 100.0 3 1 2 33.43 2.681 16 63.2 3 3 2 42.43 2.130 8 2.41 1 0 12.61 7.019 4 0.88 3 2 1 33.70 2.660 16 6.0 2 2 4 43.58 2.077 8 5.40 0 2 17.21 5.152 2 1.2 0 0 4 34.83 2.576 2 8.3 4 2 2 44.44 2.038 16 0.412 0 0 17.87 4.963 4 54.1 4 0 0 36.20 2.482 4 0.66 1 0 5 44.93 2.018 8 1.31 1 2 21.39 4.153 8 63.4 1 1 4 37.18 2.418 8 0.30 3 1 4 45.55 1.991 16 4.32 1 1 21.80 4.077 16 16.6 3 0 3 37.75 2.383 8 0.32 4 1 3 46.04 1.971 16 0.932 0 2 24.91 3.574 8 0.36 4 1 1 38.40 2.344 16 1.0 4 3 1 46.59 1.949 16 0.312 2 0 25.38 3.510 4 0.83 3 3 0 38.47 2.340 4 0.51 5 0 1 46.59 1.949 8 5.71 0 3 27.48 3.246 8 41.3 2 0 4 39.41 2.286 8 0.23 5 1 0 46.66 1.947 8 0.183 0 1 28.33 3.150 8 96.3 4 0 2 40.34 2.236 8 0.73 2 1 5 48.72 1.869 16 0.123 1 0 28.43 3.139 8 3.5 4 2 0 40.65 2.220 8 2.22 1 3 32.97 2.716 16 4.8 3 2 3 42.06 2.148 16 0.63

GIS

Garronite

504030201002 theta (°)

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0

GIS Gobbinsite

CHEMICAL COMPOSITION: |Ca0.6Na2.6K2.2(H2O)12| [Si10Al6O32]Antrim District, Northern Ireland

REFINED COMPOSITION: |Na2.6K1.7(H2O)14.9| [Si10Al6O32]

CRYSTAL DATA: Pmn21 (No. 31)a = 10.108 A b = 9.766 A c = 10.171 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: L. B. McCusker and Ch. Baerlocher,Z. Kristallogr. 171 281–289 (1985).


0 1 0 9.05 9.766 2 2.4 2 1 3 33.11 2.705 8 0.84 3 3 2 42.51 2.127 8 1.51 0 1 12.35 7.170 4 51.0 3 1 2 33.19 2.699 8 42.5 2 2 4 43.96 2.060 8 4.20 1 1 12.57 7.044 4 72.1 1 2 3 33.37 2.685 8 7.7 4 2 2 44.11 2.053 8 1.51 1 0 12.60 7.023 4 6.3 3 2 1 33.49 2.676 8 8.8 2 4 2 44.92 2.018 8 0.501 1 1 15.33 5.779 8 8.8 1 3 2 33.88 2.646 8 21.3 0 3 4 45.25 2.004 4 1.90 0 2 17.44 5.085 2 5.8 2 3 1 33.92 2.643 8 2.9 4 3 0 45.44 1.996 4 0.052 0 0 17.55 5.054 2 29.7 0 0 4 35.30 2.543 2 18.7 1 0 5 45.48 1.994 4 1.10 2 0 18.17 4.883 2 21.1 4 0 0 35.52 2.527 2 1.8 0 1 5 45.55 1.991 4 1.30 1 2 19.68 4.511 4 1.1 0 1 4 36.51 2.461 4 0.12 3 1 4 45.65 1.987 8 1.52 1 0 19.78 4.489 4 0.33 2 2 3 36.85 2.439 8 2.3 4 1 3 45.73 1.984 8 3.20 2 1 20.17 4.402 4 6.9 3 2 2 36.92 2.435 8 3.3 5 0 1 45.76 1.983 4 2.71 2 0 20.20 4.397 4 4.4 2 3 2 37.31 2.410 8 0.71 0 4 3 45.80 1.981 4 1.51 1 2 21.57 4.119 8 100.0 1 1 4 37.62 2.391 8 0.74 3 4 0 45.90 1.977 4 0.052 1 1 21.64 4.106 8 14.4 3 0 3 37.64 2.390 4 0.07 1 3 4 46.18 1.966 8 7.01 2 1 22.02 4.036 8 14.0 4 1 1 37.82 2.379 8 5.0 4 3 1 46.35 1.959 8 0.012 0 2 24.84 3.585 4 1.2 0 4 1 37.90 2.374 4 3.9 1 1 5 46.48 1.954 8 0.240 2 2 25.29 3.522 4 4.4 0 3 3 38.33 2.348 4 2.6 0 5 0 46.49 1.953 2 0.172 2 0 25.36 3.512 4 0.88 3 3 0 38.45 2.341 4 0.17 1 4 3 46.72 1.944 8 1.92 1 2 26.49 3.365 8 0.01 3 1 3 38.79 2.321 8 0.44 5 1 1 46.75 1.943 8 0.431 2 2 26.80 3.326 8 17.8 1 4 1 38.97 2.311 8 0.78 3 4 1 46.81 1.941 8 2.32 2 1 26.86 3.319 8 4.7 1 3 3 39.39 2.287 8 0.07 3 3 3 47.18 1.926 8 1.80 3 0 27.40 3.255 2 1.1 3 3 1 39.50 2.281 8 1.1 0 5 1 47.39 1.918 4 4.41 0 3 27.75 3.214 4 54.0 2 0 4 39.68 2.271 4 2.0 1 5 0 47.40 1.918 4 0.050 1 3 27.85 3.203 4 4.4 4 0 2 39.83 2.263 4 1.1 1 5 1 48.29 1.885 8 0.273 0 1 27.89 3.198 4 82.8 0 2 4 39.98 2.255 4 3.3 0 2 5 48.48 1.878 4 1.13 1 0 28.01 3.185 4 1.7 4 2 0 40.18 2.244 4 0.46 3 2 4 48.58 1.874 8 0.120 3 1 28.79 3.100 4 84.1 2 1 4 40.78 2.212 8 3.6 4 2 3 48.65 1.871 8 1.11 3 0 28.81 3.099 4 6.1 4 1 2 40.94 2.205 8 0.41 5 2 0 48.75 1.868 4 0.111 1 3 29.25 3.053 8 3.1 1 2 4 41.00 2.201 8 1.0 2 3 4 48.89 1.863 8 0.763 1 1 29.38 3.040 8 6.7 0 4 2 41.01 2.201 4 0.58 4 3 2 49.02 1.858 8 1.51 3 1 30.15 2.964 8 7.5 2 4 0 41.06 2.198 4 4.4 2 1 5 49.17 1.853 8 0.162 2 2 30.95 2.890 8 3.4 4 2 1 41.19 2.192 8 0.32 1 2 5 49.36 1.846 8 0.070 2 3 32.14 2.785 4 2.0 1 4 2 42.01 2.151 8 2.3 5 1 2 49.40 1.845 8 3.13 2 0 32.28 2.773 4 0.61 2 4 1 42.05 2.149 8 4.6 2 4 3 49.41 1.845 8 0.020 3 2 32.66 2.742 4 6.6 3 2 3 42.09 2.147 8 0.56 3 4 2 49.46 1.843 8 2.52 3 0 32.72 2.737 4 2.5 2 3 3 42.45 2.130 8 2.7 5 2 1 49.62 1.837 8 0.33

GIS

Gobbinsite

504030201002 theta (°)

100

90

80

70

60

50

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30

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10

0

GIS Di-n-propylamine MAPO–43

CHEMICAL COMPOSITION: |(C6H16N)2| [Al6Mg2P8O32]C6H16N = di-n-propylamine


CRYSTAL DATA: I11 2/b (No. 15; unique axis c, cell choice 3)a = 10.2192 A b = 10.2198 A c = 10.0126 Aα = 90◦ β = 90◦ γ = 90.987◦


REFERENCE: J. J. Pluth, J. V. Smith and J. M. Bennett,J. Am. Chem. Soc. 111 1692–1698 (1989).


0 1 1 12.38 7.152 4 100.0 2 1 3 33.32 2.689 4 3.6 2 2 4 44.14 2.052 4 1.61 0 1 12.38 7.151 4 98.8 0 4 0 35.13 2.555 2 0.26 3 -4 1 44.91 2.018 4 0.020 2 0 17.36 5.109 2 22.4 4 0 0 35.13 2.554 2 0.26 4 -3 1 44.91 2.018 4 0.042 0 0 17.36 5.109 2 21.7 0 0 4 35.87 2.503 2 6.0 0 5 1 45.29 2.002 4 2.21 -2 1 21.25 4.181 4 2.8 1 -4 1 37.23 2.415 4 0.98 5 0 1 45.29 2.002 4 2.22 -1 1 21.25 4.181 4 3.0 4 -1 1 37.23 2.415 4 0.91 1 -4 3 45.46 1.995 4 4.51 2 1 21.50 4.134 4 17.2 1 4 1 37.53 2.397 4 0.54 4 -1 3 45.47 1.995 4 4.42 1 1 21.50 4.134 4 17.6 4 1 1 37.53 2.396 4 0.51 3 4 1 45.67 1.987 4 0.081 -1 2 21.53 4.127 4 81.9 0 3 3 37.74 2.384 4 0.22 4 3 1 45.67 1.987 4 0.101 1 2 21.66 4.104 4 26.4 3 0 3 37.74 2.384 4 0.24 1 4 3 45.72 1.985 4 1.52 -2 0 24.43 3.644 2 5.4 2 -4 0 39.15 2.301 2 0.28 4 1 3 45.72 1.984 4 1.52 2 0 24.86 3.582 2 0.48 4 -2 0 39.15 2.301 2 0.37 1 -3 4 45.76 1.983 4 0.760 2 2 24.90 3.576 4 0.26 0 4 2 39.61 2.275 4 1.8 3 -1 4 45.76 1.983 4 0.782 0 2 24.90 3.576 4 0.23 4 0 2 39.61 2.275 4 1.6 1 3 4 45.95 1.975 4 0.410 3 1 27.66 3.225 4 72.8 2 4 0 39.72 2.269 2 0.01 3 1 4 45.95 1.975 4 0.443 0 1 27.66 3.224 4 73.9 4 2 0 39.72 2.269 2 0.04 0 1 5 46.19 1.965 4 0.610 1 3 28.13 3.173 4 14.8 0 2 4 40.11 2.248 4 0.14 1 0 5 46.19 1.965 4 0.551 0 3 28.13 3.173 4 15.3 2 0 4 40.11 2.248 4 0.18 2 -5 1 48.55 1.875 4 0.242 -3 1 32.59 2.747 4 0.59 3 -3 2 41.31 2.186 4 3.3 5 -2 1 48.55 1.875 4 0.183 -2 1 32.59 2.747 4 0.63 2 -3 3 41.61 2.170 4 0.08 1 -5 2 48.81 1.866 4 1.21 -3 2 32.87 2.725 4 13.8 3 -2 3 41.61 2.170 4 0.10 5 -1 2 48.81 1.866 4 1.13 -1 2 32.87 2.725 4 13.5 3 3 2 41.92 2.155 4 3.9 1 5 2 49.11 1.855 4 0.662 3 1 33.09 2.707 4 1.1 2 3 3 42.02 2.150 4 0.04 5 1 2 49.11 1.855 4 0.583 2 1 33.09 2.707 4 1.2 3 2 3 42.02 2.150 4 0.06 2 5 1 49.15 1.854 4 0.301 3 2 33.12 2.705 4 10.9 2 -4 2 43.28 2.091 4 0.22 5 2 1 49.15 1.854 4 0.233 1 2 33.12 2.705 4 10.6 4 -2 2 43.28 2.090 4 0.19 1 -2 5 49.65 1.836 4 0.101 -2 3 33.16 2.702 4 0.94 2 4 2 43.80 2.067 4 0.90 2 -1 5 49.65 1.836 4 0.092 -1 3 33.16 2.702 4 0.95 4 2 2 43.80 2.067 4 0.83 1 2 5 49.77 1.832 4 0.121 2 3 33.32 2.689 4 3.7 2 -2 4 43.88 2.063 4 1.1 2 1 5 49.77 1.832 4 0.11

GIS

Di-n-propylam

ineM

APO

–43

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

GIS Na-P1



CRYSTAL DATA: I4 (No. 82)a = 10.043 A b = 10.043 A c = 10.043 Aα = 90◦ β = 90◦ γ = 90◦

X-ray twinned crystal refinement, R = 0.05

REFERENCE: Ch. Baerlocher and W. M. Meier,Z. Kristallogr. 135 339–354 (1972).


1 0 1 12.46 7.101 8 92.1 1 2 3 33.38 2.684 8 7.5 2 4 2 44.18 2.050 8 0.501 1 0 12.46 7.101 4 1.00 2 1 3 33.38 2.684 8 3.5 3 1 4 46.08 1.970 8 0.132 0 0 17.66 5.022 4 60.6 0 0 4 35.76 2.511 2 6.8 1 3 4 46.08 1.970 8 11.10 0 2 17.66 5.022 2 2.7 4 1 1 38.01 2.367 8 0.61 1 4 3 46.08 1.970 8 0.172 1 1 21.67 4.100 8 13.3 3 3 0 38.01 2.367 4 0.27 3 4 1 46.08 1.970 8 1.81 2 1 21.67 4.100 8 7.0 3 0 3 38.01 2.367 8 0.45 5 1 0 46.08 1.970 4 2.21 1 2 21.67 4.100 8 66.1 1 4 1 38.01 2.367 8 12.0 4 3 1 46.08 1.970 8 0.932 2 0 25.08 3.551 4 1.1 1 1 4 38.01 2.367 8 0.99 4 1 3 46.08 1.970 8 2.02 0 2 25.08 3.551 8 0.79 2 0 4 40.15 2.246 8 0.86 5 0 1 46.08 1.970 8 3.33 1 0 28.10 3.176 4 1.6 2 4 0 40.15 2.246 4 0.01 1 0 5 46.08 1.970 8 1.63 0 1 28.10 3.176 8 100.0 4 2 0 40.15 2.246 4 2.3 5 2 1 49.72 1.834 8 0.081 0 3 28.10 3.176 8 34.9 4 0 2 40.15 2.246 8 1.4 1 2 5 49.72 1.834 8 0.032 2 2 30.84 2.899 8 9.0 3 2 3 42.20 2.141 8 1.0 1 5 2 49.72 1.834 8 0.281 3 2 33.38 2.684 8 12.7 2 3 3 42.20 2.141 8 0.29 5 1 2 49.72 1.834 8 2.93 1 2 33.38 2.684 8 45.0 3 3 2 42.20 2.141 8 1.0 2 1 5 49.72 1.834 8 0.673 2 1 33.38 2.684 8 1.2 4 2 2 44.18 2.050 8 6.5 2 5 1 49.72 1.834 8 0.162 3 1 33.38 2.684 8 11.5 2 2 4 44.18 2.050 8 0.38

GIS

Na-P

1

504030201002 theta (°)

70

60

50

40

30

20

10

0

GIU Giuseppettite

CHEMICAL COMPOSITION: |Na42K16Ca6(SO4)10Cl12F0.05(H2O)5| [Si48Al48O192]Sacrofano, Biachella Valley, Latium, Italy.

REFINED COMPOSITION: |Na42.56K16.14Ca5.3(SO4)12Cl8F0.05(H2O)10| [Si48.0Al48.0O192.0]

CRYSTAL DATA: P31c (No. 159)a = 12.856 A b = 12.856 A c = 42.256 Aα = 90.0◦ β = 90.0◦ γ = 120.0◦


REFERENCE: E. Bonaccorsi,Microporous and Mesoporous Materials 73 129–136 (2004).


0 0 2 4.18 21.128 2 50.3 2 1 6 24.64 3.612 12 4.7 4 -1 9 34.77 2.580 12 7.11 0 0 7.94 11.134 6 4.6 2 0 9 24.81 3.589 12 1.0 3 2 0 35.13 2.554 12 3.61 0 1 8.21 10.766 12 12.6 0 0 12 25.29 3.521 2 0.96 4 0 7 35.51 2.528 12 13.80 0 4 8.37 10.564 2 4.5 3 0 4 25.44 3.501 12 2.2 4 -1 10 36.02 2.493 12 1.21 0 2 8.98 9.850 12 4.8 3 -1 7 25.81 3.452 12 45.1 3 1 10 36.02 2.493 12 1.61 0 3 10.13 8.734 12 23.8 2 1 7 25.81 3.452 12 54.9 3 0 13 36.75 2.445 12 1.20 0 6 12.57 7.043 2 0.77 2 0 10 26.48 3.366 12 4.0 2 -1 16 36.79 2.443 6 2.51 0 5 13.15 6.732 12 9.9 1 0 12 26.55 3.357 12 7.0 4 1 0 37.00 2.430 12 5.91 1 0 13.78 6.428 6 8.7 3 -1 8 27.09 3.291 12 15.4 4 0 9 37.56 2.394 12 10.61 1 2 14.40 6.150 6 8.6 2 1 8 27.09 3.291 12 18.8 5 -2 7 38.26 2.352 12 0.892 -1 2 14.40 6.150 6 9.0 3 0 6 27.16 3.283 12 0.91 3 0 14 38.44 2.342 12 0.821 0 6 14.88 5.952 12 1.1 2 2 0 27.76 3.214 6 2.4 4 0 10 38.74 2.324 12 2.32 0 0 15.92 5.567 6 1.5 2 2 2 28.08 3.177 6 1.1 4 -1 12 38.79 2.322 12 0.782 0 1 16.06 5.519 12 2.7 4 -2 2 28.08 3.177 6 1.4 3 1 12 38.79 2.322 12 0.901 1 4 16.14 5.491 6 3.1 3 0 7 28.23 3.162 12 2.1 4 0 11 40.00 2.254 12 2.82 -1 4 16.14 5.491 6 3.3 2 1 9 28.48 3.134 12 23.5 5 -1 7 40.00 2.254 12 1.22 0 2 16.47 5.383 12 6.1 3 -1 9 28.48 3.134 12 18.0 4 1 7 40.00 2.254 12 1.31 0 7 16.71 5.307 12 15.5 2 -1 12 28.91 3.088 6 1.0 3 0 15 40.19 2.244 12 3.30 0 8 16.78 5.282 2 2.4 1 1 12 28.91 3.088 6 1.00 3 2 9 40.19 2.244 12 1.02 0 3 17.13 5.177 12 4.7 3 1 0 28.91 3.088 12 2.1 5 -2 9 40.19 2.244 12 1.62 0 4 18.01 4.925 12 2.3 3 1 1 28.99 3.080 12 1.3 4 0 12 41.35 2.184 12 3.01 0 8 18.59 4.772 12 4.2 4 -1 1 28.99 3.080 12 1.3 3 0 16 41.99 2.152 12 12.12 0 5 19.09 4.649 12 5.3 4 -2 4 29.04 3.075 6 0.77 3 3 0 42.17 2.143 6 26.42 0 6 20.33 4.367 12 0.82 3 0 8 29.41 3.037 12 3.6 4 0 13 42.77 2.114 12 1.41 0 9 20.53 4.326 12 58.4 2 0 12 30.03 2.976 12 1.1 6 -2 1 43.04 2.101 12 1.02 1 0 21.11 4.208 12 4.6 1 0 14 30.69 2.913 12 5.7 4 2 1 43.04 2.101 12 1.003 -1 1 21.22 4.187 12 2.2 3 0 9 30.71 2.911 12 7.3 5 0 7 43.31 2.089 12 0.952 1 2 21.53 4.127 12 3.7 3 1 6 31.64 2.828 12 1.5 4 0 14 44.27 2.046 12 3.53 -1 2 21.53 4.127 12 3.0 4 -1 6 31.64 2.828 12 1.3 4 -2 16 44.40 2.040 6 1.92 0 7 21.72 4.092 12 7.0 4 0 0 32.16 2.783 6 16.6 5 1 1 45.41 1.997 12 1.52 -1 8 21.78 4.081 6 1.8 4 0 1 32.23 2.777 12 1.8 6 -1 1 45.41 1.997 12 1.61 1 8 21.78 4.081 6 5.0 4 0 2 32.44 2.760 12 13.2 6 -3 8 45.69 1.986 6 0.753 -1 3 22.05 4.032 12 5.4 3 1 7 32.57 2.749 12 6.9 4 0 15 45.83 1.980 12 1.22 1 3 22.05 4.032 12 5.9 4 -1 7 32.57 2.749 12 5.5 6 -2 8 46.46 1.955 12 1.41 0 10 22.51 3.951 12 18.8 2 2 8 32.61 2.746 6 2.4 4 2 8 46.46 1.955 12 0.852 1 4 22.75 3.909 12 4.7 4 -2 8 32.61 2.746 6 2.0 4 0 16 47.45 1.916 12 3.93 -1 4 22.75 3.909 12 4.0 1 1 14 32.78 2.732 6 1.4 5 1 7 47.92 1.898 12 1.42 0 8 23.21 3.832 12 1.5 2 -1 14 32.78 2.732 6 1.1 6 -1 8 48.69 1.870 12 0.822 1 5 23.62 3.767 12 14.0 4 0 3 32.80 2.731 12 0.86 5 1 8 48.69 1.870 12 1.23 -1 5 23.62 3.767 12 13.8 4 0 4 33.29 2.692 12 7.2 4 0 17 49.14 1.854 12 1.93 0 0 23.98 3.711 6 100.0 2 0 14 33.78 2.653 12 0.85 6 0 1 49.15 1.854 12 1.03 0 1 24.07 3.697 12 3.6 4 0 5 33.91 2.644 12 2.0 6 -1 9 49.55 1.840 12 0.893 0 2 24.35 3.655 12 3.4 0 0 16 33.94 2.641 2 34.9 5 1 9 49.55 1.840 12 1.41 0 11 24.51 3.631 12 4.0 4 0 6 34.65 2.589 12 3.8 5 -2 16 49.65 1.836 12 1.43 -1 6 24.64 3.612 12 3.9 3 1 9 34.77 2.580 12 9.1 3 2 16 49.65 1.836 12 1.7

GIU

Giusepp

ettite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

GME Gmelinite

CHEMICAL COMPOSITION: |(Na2,Ca)4(H2O)24| [Si16Al8O48]Nova Scotia, Canada

REFINED COMPOSITION: |Ca4(H2O)26.4| [Si16Al8O48]



REFERENCE: K. Fischer,Neues Jahrbuch fur Mineralogie Monatshefte 1 1–13 (1966).


1 0 0 7.42 11.908 6 100.0 2 2 2 31.53 2.837 12 0.18 3 0 4 42.58 2.123 12 0.421 0 1 11.52 7.680 12 18.8 3 2 0 32.78 2.732 12 0.13 3 2 3 42.71 2.117 24 0.201 1 0 12.88 6.875 6 2.1 2 1 3 33.34 2.687 24 12.4 5 1 1 43.25 2.092 24 0.572 0 0 14.88 5.954 6 0.90 3 2 1 34.01 2.636 24 0.96 3 3 2 43.40 2.085 12 3.42 0 1 17.31 5.122 12 12.3 4 1 0 34.52 2.599 12 4.1 4 2 2 44.09 2.054 24 0.150 0 2 17.65 5.025 2 25.0 4 0 2 35.03 2.561 12 1.1 4 1 3 44.11 2.053 24 1.71 0 2 19.17 4.630 12 5.0 3 0 3 35.05 2.560 12 0.09 2 2 4 44.67 2.028 12 0.032 1 0 19.72 4.501 12 6.4 4 1 1 35.69 2.516 24 0.54 3 1 4 45.35 2.000 24 0.052 1 1 21.63 4.108 24 23.5 1 0 4 36.55 2.458 12 0.03 1 0 5 45.78 1.982 12 0.441 1 2 21.91 4.057 12 0.17 3 2 2 37.47 2.400 24 1.2 5 1 2 46.13 1.968 24 0.203 0 0 22.40 3.969 6 1.0 5 0 0 37.77 2.382 6 0.08 6 0 1 46.65 1.947 12 0.072 0 2 23.16 3.840 12 0.01 1 1 4 38.13 2.360 12 0.34 5 0 3 46.80 1.941 12 0.953 0 1 24.11 3.692 12 0.35 3 1 3 38.27 2.352 24 0.60 4 3 1 47.31 1.922 24 0.102 2 0 25.92 3.437 6 2.5 5 0 1 38.86 2.317 12 0.74 4 0 4 47.34 1.920 12 0.252 1 2 26.59 3.353 24 0.58 2 0 4 38.91 2.315 12 0.04 5 2 0 47.69 1.907 12 0.673 1 0 27.00 3.303 12 0.90 4 1 2 39.02 2.308 24 0.39 2 0 5 47.76 1.904 12 0.491 0 3 27.66 3.225 12 8.7 3 3 0 39.31 2.292 6 1.00 5 2 1 48.60 1.873 24 0.133 1 1 28.45 3.138 24 0.09 4 2 0 40.07 2.250 12 0.17 4 2 3 48.75 1.868 24 0.664 0 0 30.02 2.977 6 13.5 4 2 1 41.10 2.196 24 0.77 3 2 4 49.27 1.849 24 0.062 0 3 30.62 2.920 12 7.2 5 0 2 41.98 2.152 12 0.34 6 0 2 49.37 1.846 12 0.054 0 1 31.34 2.854 12 7.4 5 1 0 42.26 2.139 12 0.11 2 1 5 49.67 1.835 24 1.7

GM

EG

melinite

504030201002 theta (°)

30

25

20

15

10

5

0

GON GUS-1



CRYSTAL DATA: C222 (No. 21)a = 16.4206 A b = 20.0540 A c = 5.0464 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦

X-ray powder diffraction.

REFERENCE: J. Plevert, Y. Kubota, T. Honda, T. Okubo and Y. Sugi,J. Chem. Soc., Chem. Commun. 2363–2364 (2000).


1 1 0 6.96 12.705 4 100.0 6 0 0 32.72 2.737 2 0.18 2 8 1 41.71 2.166 8 0.160 2 0 8.82 10.027 2 65.5 5 1 1 32.84 2.727 8 1.7 5 7 0 41.84 2.159 4 1.32 0 0 10.78 8.210 2 16.1 3 5 1 32.88 2.724 8 5.5 4 0 2 42.03 2.150 4 0.442 2 0 13.94 6.352 4 3.0 4 4 1 33.33 2.688 8 1.3 4 8 0 42.24 2.139 4 0.681 3 0 14.31 6.191 4 4.6 6 2 0 33.95 2.640 4 1.8 1 5 2 42.69 2.118 8 0.793 1 0 16.79 5.280 4 8.0 2 6 1 33.97 2.639 8 1.6 7 1 1 42.75 2.115 8 0.660 0 1 17.57 5.046 2 0.04 4 6 0 34.61 2.592 4 0.23 4 2 2 43.03 2.102 8 0.070 4 0 17.69 5.014 2 2.9 5 3 1 35.26 2.545 8 1.1 8 0 0 44.12 2.053 2 0.141 1 1 18.92 4.690 8 2.6 5 5 0 35.32 2.541 4 0.14 7 3 1 44.71 2.027 8 1.70 2 1 19.69 4.508 4 6.5 3 7 0 35.36 2.538 4 0.22 7 5 0 44.76 2.025 4 0.342 0 1 20.66 4.299 4 60.7 0 0 2 35.58 2.523 2 8.0 1 9 1 44.80 2.023 8 0.152 4 0 20.76 4.279 4 0.03 0 8 0 35.82 2.507 2 0.59 0 6 2 45.02 2.014 4 0.193 3 0 20.98 4.235 4 10.2 1 1 2 36.30 2.475 8 1.8 8 2 0 45.08 2.011 4 0.414 0 0 21.65 4.105 2 11.0 1 7 1 36.48 2.463 8 2.0 0 10 0 45.21 2.005 2 3.12 2 1 22.50 3.951 8 4.1 0 2 2 36.73 2.447 4 0.82 5 1 2 45.56 1.991 8 0.171 3 1 22.73 3.912 8 4.5 2 0 2 37.28 2.412 4 0.44 3 5 2 45.59 1.990 8 0.231 5 0 22.82 3.896 4 36.5 6 0 1 37.38 2.406 4 2.3 5 7 1 45.71 1.985 8 0.384 2 0 23.42 3.799 4 3.8 6 4 0 37.44 2.402 4 0.03 4 4 2 45.93 1.976 8 0.073 1 1 24.40 3.648 8 1.7 2 8 0 37.51 2.397 4 0.26 4 8 1 46.08 1.970 8 0.940 4 1 25.04 3.557 4 0.02 2 2 2 38.39 2.345 8 0.29 2 6 2 46.43 1.956 8 0.140 6 0 26.67 3.342 2 2.5 6 2 1 38.48 2.339 8 1.2 6 6 1 46.51 1.953 8 0.172 4 1 27.33 3.264 8 0.74 1 3 2 38.53 2.337 8 0.14 5 3 2 47.43 1.917 8 2.83 3 1 27.49 3.244 8 8.1 7 1 0 38.64 2.330 4 0.02 3 9 1 47.60 1.910 8 0.025 1 0 27.52 3.241 4 0.13 4 6 1 39.07 2.306 8 0.13 8 0 1 47.84 1.901 4 1.13 5 0 27.57 3.235 4 10.0 3 1 2 39.58 2.277 8 0.40 1 7 2 48.39 1.881 8 0.284 0 1 28.02 3.185 4 7.9 5 5 1 39.71 2.270 8 1.4 7 5 1 48.44 1.879 8 0.034 4 0 28.09 3.176 4 0.07 3 7 1 39.75 2.268 8 0.45 8 2 1 48.75 1.868 8 0.041 5 1 28.95 3.084 8 1.9 0 4 2 40.00 2.254 4 0.05 0 10 1 48.87 1.864 4 0.024 2 1 29.43 3.035 8 3.2 0 8 1 40.17 2.245 4 0.44 6 0 2 49.11 1.855 4 0.495 3 0 30.32 2.948 4 4.6 1 9 0 40.87 2.208 4 0.03 6 8 0 49.30 1.849 4 2.81 7 0 31.70 2.822 4 1.2 2 4 2 41.55 2.173 8 0.650 6 1 32.12 2.787 4 0.03 3 3 2 41.67 2.168 8 0.10

GO

NG

US-1

504030201002 theta (°)

70

60

50

40

30

20

10

0

GOO Goosecreekite

CHEMICAL COMPOSITION: |Ca2(H2O)10| [Si12Al4O32]Loudon County, Virginia, U.S.A.

REFINED COMPOSITION: |Ca2(H2O)10| [Si12Al4O32]

CRYSTAL DATA: P1211 (No. 4; unique axis b)a = 7.401 A b = 17.439 A c = 7.293 Aα = 90◦ β = 105.44◦ γ = 90◦


REFERENCE: R. C. Rouse and D. R. Peacor,American Mineralogist 71 1494–1501 (1986).


0 2 0 10.14 8.719 2 9.9 1 1 2 31.65 2.827 4 3.1 -3 2 2 41.09 2.197 4 1.61 0 0 12.41 7.134 2 35.0 -2 4 1 32.30 2.771 4 10.0 -2 2 3 41.39 2.181 4 0.770 0 1 12.59 7.030 2 55.4 -2 2 2 32.30 2.771 4 8.3 0 8 0 41.42 2.180 2 1.51 1 0 13.41 6.603 4 2.2 2 4 0 32.43 2.761 4 0.54 1 7 1 41.54 2.174 4 3.90 1 1 13.58 6.520 4 2.3 -1 4 2 32.53 2.753 4 15.0 0 3 3 41.55 2.173 4 1.3

-1 0 1 15.16 5.845 2 5.2 1 5 1 32.62 2.745 4 2.9 -3 4 1 42.18 2.143 4 5.4-1 1 1 15.99 5.542 4 38.9 2 2 1 32.68 2.740 4 9.0 -1 4 3 42.65 2.120 4 2.61 2 0 16.05 5.521 4 18.8 1 2 2 32.91 2.722 4 2.9 -3 3 2 42.76 2.114 4 1.40 2 1 16.20 5.473 4 28.9 1 6 0 33.29 2.692 4 18.1 -2 3 3 43.06 2.101 4 2.4

-1 2 1 18.27 4.855 4 81.0 0 6 1 33.36 2.686 4 8.7 3 4 0 43.34 2.088 4 1.91 3 0 19.70 4.506 4 64.6 -2 3 2 34.34 2.611 4 3.8 0 8 1 43.46 2.082 4 0.460 3 1 19.82 4.480 4 100.0 -1 6 1 34.46 2.603 4 8.9 2 3 2 43.55 2.078 4 0.811 0 1 19.95 4.450 2 12.8 2 3 1 34.70 2.585 4 8.9 3 1 1 43.62 2.075 4 1.70 4 0 20.37 4.360 2 0.43 1 3 2 34.91 2.570 4 7.5 1 0 3 43.75 2.069 2 0.771 1 1 20.60 4.312 4 8.2 -2 5 1 35.90 2.502 4 3.1 0 4 3 43.86 2.064 4 0.72

-1 3 1 21.56 4.122 4 26.9 2 5 0 36.01 2.494 4 1.6 -2 6 2 43.93 2.061 4 2.01 2 1 22.43 3.964 4 14.4 -1 5 2 36.10 2.488 4 3.5 2 6 1 44.23 2.048 4 4.91 4 0 23.92 3.720 4 6.9 0 5 2 36.28 2.476 4 1.9 2 7 0 44.35 2.042 4 1.40 4 1 24.02 3.705 4 5.2 -3 0 1 36.52 2.460 2 1.5 1 6 2 44.40 2.040 4 1.2

-2 0 1 24.80 3.590 2 5.3 1 6 1 36.94 2.433 4 2.7 -1 7 2 44.42 2.039 4 0.452 0 0 24.96 3.567 2 9.2 -2 4 2 37.03 2.428 4 9.4 0 7 2 44.58 2.033 4 2.3

-1 0 2 25.09 3.550 2 5.7 -1 0 3 37.06 2.426 2 0.62 3 2 1 44.58 2.032 4 2.61 3 1 25.20 3.533 4 7.4 2 4 1 37.37 2.406 4 1.2 1 2 3 45.03 2.013 4 0.99

-2 1 1 25.33 3.516 4 11.1 -1 1 3 37.43 2.403 4 1.4 -3 5 1 45.10 2.010 4 1.30 0 2 25.34 3.515 2 6.1 1 4 2 37.56 2.394 4 2.4 -2 4 3 45.31 2.002 4 0.55

-1 4 1 25.49 3.495 4 11.4 3 0 0 37.83 2.378 2 1.8 2 4 2 45.78 1.982 4 3.32 1 0 25.49 3.495 4 16.6 -3 2 1 38.00 2.368 4 5.6 3 3 1 46.15 1.967 4 1.0

-1 1 2 25.61 3.478 4 22.1 1 7 0 38.27 2.352 4 2.2 3 5 0 46.20 1.965 4 2.20 1 2 25.86 3.446 4 8.7 0 0 3 38.41 2.343 2 7.4 1 3 3 46.60 1.949 4 1.7

-2 2 1 26.86 3.320 4 25.8 -1 2 3 38.52 2.337 4 14.3 0 5 3 46.70 1.945 4 0.542 2 0 27.01 3.301 4 56.4 0 1 3 38.77 2.322 4 0.60 -3 1 3 46.92 1.936 4 3.0

-1 2 2 27.12 3.288 4 13.3 3 2 0 39.27 2.294 4 3.1 -2 7 2 47.98 1.896 4 0.810 2 2 27.36 3.260 4 41.7 -1 7 1 39.31 2.292 4 7.0 -2 5 3 48.08 1.892 4 1.41 5 0 28.49 3.133 4 19.3 -3 3 1 39.79 2.266 4 3.3 3 4 1 48.29 1.885 4 3.20 5 1 28.57 3.124 4 18.9 0 2 3 39.83 2.263 4 3.5 2 5 2 48.53 1.876 4 1.51 4 1 28.66 3.114 4 11.3 -2 6 1 39.91 2.259 4 4.6 0 9 1 48.75 1.868 4 1.7

-2 3 1 29.24 3.054 4 10.2 -3 1 2 40.06 2.251 4 0.74 -2 8 1 48.88 1.863 4 0.902 3 0 29.38 3.040 4 44.4 -2 5 2 40.26 2.240 4 6.5 -1 6 3 48.90 1.862 4 1.1

-1 3 2 29.48 3.030 4 6.6 0 6 2 40.26 2.240 4 5.2 -1 8 2 49.04 1.858 4 2.60 3 2 29.70 3.008 4 45.2 -1 3 3 40.28 2.239 4 3.3 0 8 2 49.18 1.853 4 0.52

-1 5 1 29.83 2.995 4 3.6 -2 1 3 40.37 2.234 4 2.4 -4 0 1 49.25 1.850 2 10.4-2 0 2 30.59 2.923 2 7.5 2 5 1 40.57 2.223 4 1.9 -3 3 3 49.33 1.847 4 0.430 6 0 30.76 2.906 2 14.1 1 5 2 40.76 2.214 4 2.9 3 6 0 49.53 1.840 4 6.0

-2 1 2 31.02 2.882 4 1.6 2 1 2 40.89 2.207 4 4.7 -4 1 1 49.55 1.840 4 0.472 1 1 31.42 2.847 4 12.7 3 3 0 41.01 2.201 4 1.4 -1 9 1 49.56 1.839 4 1.4

GO

OG

oosecreekite

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

HEU Heulandite

CHEMICAL COMPOSITION: |Na0.1K8.57Ba0.04(H2O)19.56| [Si26.83Al9.31O72]Mossyrock Dam, Washington, U.S.A.

REFINED COMPOSITION: |K8.48(H2O)18| [Si26.64Al9.36O72]



REFERENCE: E. Galli, G. Gottardi, H. Mayer, A. Preisinger and E. Passaglia,Acta Cryst. B39 189–197 (1983).


1 1 0 7.41 11.937 4 3.3 3 5 0 30.01 2.978 4 27.8 0 8 0 40.17 2.245 2 0.900 2 0 9.85 8.979 2 100.0 1 1 2 30.03 2.975 4 12.7 0 0 3 40.49 2.228 2 1.42 0 0 11.07 7.989 2 64.0 -6 0 1 30.21 2.958 2 4.5 -6 2 3 41.12 2.195 4 2.0

-1 1 1 12.90 6.865 4 6.8 4 0 1 30.69 2.913 2 2.3 -1 3 3 41.25 2.189 4 2.6-2 0 1 13.03 6.792 2 17.8 -2 4 2 31.25 2.862 4 0.55 2 8 0 41.80 2.161 4 0.440 0 1 13.25 6.683 2 2.9 5 3 0 31.74 2.819 4 43.6 -2 4 3 42.16 2.143 4 1.92 2 0 14.84 5.969 4 12.9 -6 2 1 31.85 2.810 4 14.0 4 0 2 42.17 2.143 2 0.821 3 0 15.81 5.606 4 2.2 4 2 1 32.30 2.771 4 0.72 7 3 0 42.38 2.133 4 2.4

-2 2 1 16.36 5.417 4 1.9 -6 0 2 32.57 2.749 2 1.5 -2 8 1 42.41 2.131 4 0.77-3 1 1 16.86 5.258 4 11.3 -2 6 1 32.70 2.739 4 10.6 -7 1 3 42.85 2.110 4 0.591 1 1 17.19 5.157 4 32.0 -5 3 2 32.72 2.737 4 1.6 6 2 1 42.89 2.108 4 5.93 1 0 17.37 5.106 4 4.3 0 6 1 32.79 2.732 4 12.8 -6 6 1 42.99 2.104 4 2.6

-1 3 1 19.04 4.661 4 20.3 -4 4 2 33.07 2.708 4 0.50 -3 7 2 43.16 2.096 4 2.2-4 0 1 20.31 4.373 2 8.2 1 3 2 33.25 2.694 4 7.7 4 6 1 43.34 2.088 4 1.32 0 1 20.72 4.286 2 1.1 2 0 2 33.28 2.692 2 0.51 -5 7 1 43.52 2.079 4 0.69

-3 3 1 21.95 4.050 4 1.9 0 4 2 33.43 2.681 4 3.2 1 1 3 43.70 2.071 4 2.61 3 1 22.21 4.003 4 60.2 6 0 0 33.65 2.663 2 1.3 3 7 1 43.81 2.067 4 3.94 0 0 22.25 3.995 2 34.7 2 2 2 34.79 2.579 4 9.4 5 5 1 44.26 2.046 4 1.43 3 0 22.34 3.979 4 53.8 -3 5 2 35.12 2.555 4 1.4 -7 5 2 44.80 2.023 4 5.2

-4 2 1 22.62 3.931 4 21.9 6 2 0 35.15 2.553 4 4.8 -6 4 3 44.84 2.021 4 4.72 4 0 22.72 3.914 4 29.4 -1 5 2 35.29 2.543 4 2.8 3 5 2 45.48 1.994 4 0.702 2 1 22.99 3.868 4 3.1 1 7 0 35.44 2.533 4 1.7 6 6 0 45.60 1.990 4 0.53

-2 4 1 23.76 3.745 4 2.2 -5 5 1 35.56 2.525 4 6.7 1 9 0 45.83 1.980 4 1.10 4 1 23.88 3.727 4 4.4 3 5 1 35.89 2.502 4 2.5 -8 4 1 46.03 1.972 4 4.4

-2 0 2 23.96 3.715 2 5.9 -7 1 1 35.93 2.499 4 2.1 -5 7 2 46.06 1.971 4 0.42-3 1 2 24.99 3.563 4 29.4 -6 4 1 36.37 2.470 4 3.2 -1 5 3 46.14 1.967 4 4.3-1 1 2 25.22 3.531 4 0.88 -4 6 1 36.37 2.470 4 3.9 -8 4 2 46.18 1.966 4 1.11 5 0 25.42 3.504 4 0.94 5 1 1 36.42 2.467 4 2.4 6 4 1 46.50 1.953 4 2.6

-5 1 1 25.58 3.482 4 4.5 2 6 1 36.62 2.454 4 11.3 -9 1 2 46.53 1.952 4 7.1-2 2 2 25.96 3.433 4 50.8 -3 1 3 36.63 2.453 4 2.3 8 2 0 46.58 1.950 4 0.533 1 1 26.03 3.424 4 6.8 4 4 1 36.78 2.444 4 10.4 2 0 3 46.89 1.938 2 0.59

-4 0 2 26.24 3.396 2 18.5 -2 0 3 36.84 2.439 2 3.9 -8 2 3 47.05 1.932 4 1.20 0 2 26.68 3.341 2 19.0 -7 1 2 37.06 2.426 4 5.6 -1 9 1 47.16 1.927 4 1.3

-4 2 2 28.09 3.176 4 45.1 4 6 0 37.55 2.395 4 1.3 -2 8 2 47.31 1.921 4 2.1-4 4 1 28.49 3.132 4 34.1 3 1 2 37.86 2.377 4 0.88 5 1 2 47.46 1.916 4 0.760 2 2 28.50 3.132 4 0.79 -4 2 3 37.99 2.368 4 1.5 7 1 1 47.67 1.908 4 0.54

-3 3 2 28.73 3.107 4 1.0 -5 1 3 38.15 2.359 4 1.1 2 2 3 48.03 1.894 4 0.472 4 1 28.80 3.100 4 2.4 -2 2 3 38.23 2.354 4 1.7 -4 8 2 48.62 1.873 4 1.1

-1 3 2 28.93 3.086 4 22.8 -6 4 2 38.39 2.345 4 0.73 3 9 0 48.73 1.869 4 2.1-5 1 2 29.45 3.033 4 5.3 -3 7 1 38.73 2.325 4 0.49 -9 3 2 48.81 1.866 4 0.473 3 1 29.64 3.013 4 1.6 1 7 1 38.89 2.316 4 0.43 -4 0 4 49.05 1.857 2 1.2

-3 5 1 29.71 3.007 4 15.0 2 4 2 39.01 2.309 4 1.3 -5 1 4 49.55 1.840 4 2.00 6 0 29.85 2.993 2 4.1 5 3 1 39.18 2.299 4 1.3 5 3 2 49.71 1.834 4 0.711 5 1 29.90 2.988 4 41.6 -3 3 3 39.37 2.288 4 1.1 -3 1 4 49.80 1.831 4 5.04 4 0 29.94 2.984 4 2.2 -4 6 2 40.16 2.245 4 0.96 -7 5 3 49.86 1.829 4 2.0

HEU

Heulandite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

HEU Clinoptilolite

CHEMICAL COMPOSITION: |Na1.84K1.76Mg0.2Ca1.24(H2O)21.36| [Si29.84Al6.16O72]Agoura, California, U.S.A.

REFINED COMPOSITION: |Na1.84K1.76Mg0.2Ca1.24(H2O)21.36| [Si29.84Al6.16O72]



REFERENCE: K. Koyama and Y. Takeuchi,Z. Kristallogr. 145 216–239 (1977).


1 1 0 7.46 11.857 4 4.7 4 4 0 30.15 2.964 4 0.38 -7 3 2 39.92 2.258 4 0.420 2 0 9.88 8.955 2 100.0 3 5 0 30.16 2.963 4 17.8 -4 6 2 40.25 2.240 4 0.332 0 0 11.19 7.910 2 40.0 1 1 2 30.30 2.950 4 11.2 0 0 3 40.80 2.212 2 1.1

-1 1 1 12.94 6.842 4 1.4 -6 0 1 30.41 2.940 2 2.7 3 3 2 40.93 2.205 4 0.31-2 0 1 13.06 6.780 2 14.5 4 0 1 31.05 2.880 2 1.9 -6 2 3 41.20 2.191 4 2.10 0 1 13.35 6.635 2 7.0 5 3 0 32.01 2.796 4 23.1 -1 3 3 41.49 2.176 4 1.52 2 0 14.94 5.929 4 6.3 -6 2 1 32.04 2.793 4 8.7 2 8 0 41.94 2.154 4 0.381 3 0 15.87 5.586 4 1.9 4 2 1 32.66 2.742 4 0.63 6 0 1 42.13 2.145 2 0.25

-2 2 1 16.40 5.405 4 0.60 -6 0 2 32.66 2.742 2 0.84 -2 4 3 42.34 2.134 4 2.10 2 1 16.63 5.331 4 1.6 -2 6 1 32.78 2.732 4 9.7 -2 8 1 42.52 2.126 4 0.46

-3 1 1 16.91 5.243 4 15.8 -5 3 2 32.79 2.731 4 0.44 4 0 2 42.66 2.120 2 0.781 1 1 17.36 5.110 4 24.8 0 6 1 32.90 2.722 4 4.9 7 3 0 42.78 2.114 4 1.93 1 0 17.53 5.059 4 6.0 1 3 2 33.51 2.674 4 4.0 -7 1 3 42.94 2.106 4 0.42

-1 3 1 19.10 4.648 4 15.6 2 0 2 33.62 2.666 2 1.0 -6 6 1 43.19 2.095 4 1.3-4 0 1 20.40 4.354 2 5.6 0 4 2 33.62 2.665 4 1.2 -3 7 2 43.27 2.091 4 1.41 3 1 22.36 3.976 4 49.2 6 0 0 34.00 2.637 2 0.27 6 2 1 43.38 2.086 4 3.44 0 0 22.48 3.955 2 18.1 2 2 2 35.13 2.555 4 4.1 4 6 1 43.67 2.073 4 2.33 3 0 22.49 3.952 4 37.2 -3 5 2 35.21 2.549 4 0.74 3 7 1 44.07 2.055 4 1.5

-4 2 1 22.71 3.916 4 21.0 -1 5 2 35.44 2.533 4 2.3 1 1 3 44.08 2.054 4 0.932 4 0 22.82 3.897 4 24.4 6 2 0 35.49 2.529 4 2.9 5 5 1 44.66 2.029 4 1.02 2 1 23.21 3.832 4 4.9 1 7 0 35.54 2.526 4 1.8 -6 4 3 44.93 2.018 4 2.7

-2 4 1 23.81 3.736 4 3.1 -5 5 1 35.71 2.514 4 3.2 -7 5 2 44.96 2.016 4 2.30 4 1 23.98 3.712 4 1.5 3 5 1 36.16 2.484 4 2.0 -7 3 3 45.38 1.998 4 0.39

-2 0 2 24.04 3.702 2 6.8 -7 1 1 36.19 2.482 4 0.92 8 0 0 45.89 1.978 2 0.364 2 0 24.61 3.618 4 0.33 -4 6 1 36.49 2.462 4 1.3 6 6 0 45.92 1.976 4 0.78

-3 1 2 25.05 3.555 4 14.7 -6 4 1 36.57 2.457 4 2.4 1 9 0 45.96 1.975 4 0.94-1 1 2 25.35 3.513 4 0.63 -4 0 3 36.69 2.449 2 0.35 -5 7 2 46.18 1.966 4 0.591 5 0 25.49 3.494 4 1.0 2 6 1 36.82 2.441 4 6.2 -8 4 1 46.34 1.959 4 2.6

-5 1 1 25.72 3.463 4 5.0 5 1 1 36.85 2.439 4 1.3 -8 4 2 46.38 1.958 4 1.2-2 2 2 26.04 3.421 4 32.1 -2 0 3 37.02 2.428 2 3.6 -1 5 3 46.38 1.958 4 4.5-4 0 2 26.29 3.390 2 13.6 4 4 1 37.11 2.422 4 5.7 -9 1 2 46.77 1.942 4 2.63 1 1 26.32 3.386 4 2.8 -7 1 2 37.20 2.417 4 4.1 6 4 1 46.97 1.934 4 2.20 0 2 26.88 3.317 2 9.6 4 6 0 37.76 2.383 4 1.5 -8 2 3 47.16 1.927 4 0.81

-4 2 2 28.15 3.170 4 27.2 -4 2 3 38.09 2.362 4 2.0 -1 9 1 47.30 1.922 4 0.59-4 4 1 28.60 3.121 4 13.8 -5 1 3 38.22 2.355 4 0.62 2 0 3 47.35 1.920 2 0.390 2 2 28.70 3.111 4 0.52 3 1 2 38.27 2.352 4 1.1 -2 8 2 47.46 1.916 4 1.3

-3 3 2 28.80 3.100 4 2.7 -2 2 3 38.41 2.344 4 1.9 5 1 2 48.02 1.895 4 0.772 4 1 29.00 3.078 4 1.0 -6 4 2 38.50 2.338 4 0.44 -2 6 3 48.32 1.884 4 0.28

-1 3 2 29.07 3.072 4 14.0 -2 6 2 38.75 2.324 4 0.50 2 2 3 48.49 1.877 4 0.60-5 3 1 29.39 3.039 4 0.68 -3 7 1 38.84 2.319 4 0.80 -4 8 2 48.74 1.868 4 0.48-5 1 2 29.51 3.027 4 2.8 -7 3 1 38.97 2.311 4 0.24 3 9 0 48.92 1.862 4 1.2-3 5 1 29.79 2.999 4 9.5 2 4 2 39.34 2.290 4 0.62 -9 3 2 49.06 1.857 4 0.653 3 1 29.92 2.986 4 1.3 5 3 1 39.59 2.276 4 0.40 -4 0 4 49.22 1.851 2 0.700 6 0 29.93 2.985 2 2.0 6 4 0 39.67 2.272 4 1.2 -5 1 4 49.69 1.835 4 0.981 5 1 30.05 2.973 4 26.4 -6 0 3 39.89 2.260 2 0.67 -7 5 3 49.97 1.825 4 0.77

HEU

Clinoptilolite

504030201002 theta (°)

60

50

40

30

20

10

0

IFR ITQ-4, Calcined



CRYSTAL DATA: I1 2/m 1 (No. 12; unique axis b, cell choice 3)a = 18.65243 A b = 13.49597 A c = 7.63109 Aα = 90.0◦ β = 101.9781◦ γ = 90.0◦

X-ray Rietveld refinement, Rwp = 0.0767, Rp = 0.0558, Rb = 0.0644

REFERENCE: P. A. Barrett, M. A. Camblor, A. Corma, R. H. Jones andL. A. Villaescusa, Chemistry of Materials 9 1713–1715 (1997).


1 1 0 8.15 10.850 4 100.0 -5 1 2 31.23 2.864 4 0.20 8 2 0 41.81 2.161 4 0.542 0 0 9.69 9.123 2 9.4 3 1 2 31.32 2.856 4 0.21 4 5 1 41.93 2.154 4 0.15

-1 0 1 11.84 7.474 2 0.96 -3 4 1 31.46 2.843 4 1.2 3 0 3 41.99 2.152 2 0.330 2 0 13.12 6.748 2 2.0 5 3 0 31.57 2.834 4 0.67 -3 5 2 42.17 2.143 4 0.180 1 1 13.56 6.532 4 3.0 4 3 1 31.97 2.799 4 0.28 1 5 2 42.21 2.141 4 0.281 0 1 13.72 6.455 2 4.4 -3 3 2 32.27 2.774 4 0.37 -6 1 3 42.42 2.131 4 0.27

-2 1 1 15.18 5.837 4 5.8 6 2 0 32.29 2.773 4 0.31 1 6 1 42.56 2.124 4 0.163 1 0 15.98 5.545 4 0.50 5 2 1 32.31 2.771 4 0.33 -4 3 3 42.64 2.120 4 0.052 2 0 16.34 5.425 4 0.52 1 3 2 32.31 2.770 4 0.12 -7 3 2 42.97 2.105 4 0.06

-3 0 1 16.78 5.283 2 0.51 4 4 0 33.02 2.713 4 0.91 4 4 2 43.60 2.076 4 0.022 1 1 18.08 4.906 4 0.37 1 5 0 33.56 2.670 4 0.11 -3 6 1 43.74 2.070 4 0.141 2 1 19.02 4.665 4 2.7 3 4 1 33.77 2.654 4 0.69 -9 0 1 43.77 2.068 2 0.264 0 0 19.46 4.562 2 0.82 -6 0 2 33.94 2.641 2 0.08 -8 2 2 44.11 2.053 4 0.061 3 0 20.33 4.368 4 8.8 4 0 2 34.05 2.633 2 0.31 3 2 3 44.18 2.050 4 0.103 0 1 20.66 4.299 2 6.7 6 1 1 34.73 2.583 4 0.52 6 2 2 44.23 2.048 4 0.11

-3 2 1 21.36 4.160 4 2.3 7 1 0 35.06 2.559 4 0.41 8 1 1 44.38 2.041 4 0.28-4 1 1 21.64 4.106 4 6.7 0 5 1 35.36 2.538 4 1.3 -7 0 3 44.83 2.022 2 0.374 2 0 23.54 3.779 4 1.3 -1 0 3 35.38 2.537 2 1.1 -6 5 1 44.87 2.020 4 0.47

-2 0 2 23.81 3.737 2 3.0 0 4 2 35.88 2.503 4 0.75 4 6 0 44.93 2.017 4 0.050 0 2 23.84 3.732 2 3.8 -2 1 3 36.01 2.494 4 0.10 9 1 0 45.23 2.005 4 0.07

-2 3 1 24.09 3.694 4 0.05 -3 0 3 36.05 2.491 2 0.64 4 1 3 45.50 1.994 4 0.16-1 1 2 24.24 3.672 4 0.46 -2 5 1 36.05 2.491 4 0.56 3 5 2 45.76 1.983 4 0.023 2 1 24.55 3.625 4 0.18 3 5 0 36.42 2.467 4 0.15 -9 2 1 45.89 1.977 4 0.053 3 0 24.61 3.617 4 1.1 -6 2 2 36.53 2.460 4 0.50 -6 3 3 46.69 1.946 4 0.25

-5 0 1 24.83 3.585 2 2.2 -5 4 1 36.57 2.457 4 1.4 -9 1 2 46.83 1.940 4 0.255 1 0 25.28 3.523 4 1.6 -5 3 2 36.59 2.456 4 0.43 -7 2 3 46.92 1.937 4 0.044 1 1 25.77 3.457 4 0.08 4 2 2 36.63 2.453 4 0.08 -2 6 2 47.16 1.927 4 0.082 3 1 26.05 3.421 4 0.11 2 5 1 37.44 2.402 4 0.08 1 7 0 47.42 1.917 4 0.21

-3 1 2 26.13 3.410 4 0.75 -1 2 3 37.89 2.375 4 0.05 7 4 1 47.63 1.909 4 0.211 1 2 26.19 3.403 4 5.3 -4 1 3 38.01 2.367 4 0.22 -2 0 4 47.67 1.908 2 0.370 4 0 26.42 3.374 2 5.6 -7 1 2 38.38 2.345 4 0.29 -5 6 1 47.73 1.905 4 0.05

-2 2 2 27.28 3.269 4 0.86 5 1 2 38.49 2.339 4 0.28 -5 4 3 48.03 1.894 4 0.030 2 2 27.30 3.266 4 0.28 -4 4 2 38.54 2.336 4 0.13 8 4 0 48.16 1.890 4 0.10

-4 0 2 27.56 3.237 2 0.61 2 4 2 38.60 2.332 4 0.05 5 0 3 48.36 1.882 2 0.16-5 2 1 28.18 3.166 4 1.5 7 0 1 38.89 2.316 2 0.02 -1 1 4 48.46 1.878 4 0.172 4 0 28.20 3.165 4 0.06 -4 5 1 39.39 2.288 4 0.05 8 3 1 48.51 1.877 4 0.25

-4 3 1 28.68 3.112 4 0.59 -8 1 1 39.41 2.286 4 0.04 7 5 0 48.55 1.875 4 0.04-1 4 1 29.04 3.075 4 0.26 8 0 0 39.51 2.281 2 0.03 -8 1 3 48.70 1.870 4 0.026 0 0 29.37 3.041 2 1.7 1 2 3 39.87 2.261 4 0.13 0 7 1 48.78 1.867 4 0.245 0 1 29.39 3.039 2 1.4 6 4 0 39.91 2.259 4 0.07 9 0 1 48.94 1.861 2 0.101 4 1 29.88 2.990 4 0.34 0 6 0 40.09 2.249 2 0.45 -2 7 1 49.32 1.848 4 0.37

-6 1 1 30.08 2.971 4 0.21 7 2 1 41.21 2.190 4 0.12 -10 1 1 49.36 1.846 4 0.15-4 2 2 30.63 2.918 4 0.10 2 6 0 41.34 2.184 4 0.06 4 3 3 49.55 1.839 4 0.122 2 2 30.70 2.912 4 0.42 0 3 3 41.47 2.177 4 0.08 0 5 3 49.84 1.830 4 0.15

-1 3 2 30.73 2.910 4 0.33 5 5 0 41.62 2.170 4 0.30 10 0 0 49.98 1.825 2 0.12

IFR

ITQ

-4,Calcined

504030201002 theta (°)

10

8

6

4

2

0

IHW ITQ-32



CRYSTAL DATA: Cmca (No. 64)a = 13.6988 A b = 24.0665 A c = 18.1968 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: A. Cantin, A. Corma, S. Leiva, F. Rey, J. Rius and S. Valencia,J. Am. Chem. Soc. 127 11560–11561 (2005).


0 2 0 7.35 12.033 2 87.8 3 3 3 26.85 3.321 8 0.45 4 4 5 39.10 2.304 8 0.320 2 1 8.81 10.037 4 86.9 4 2 0 27.07 3.294 4 23.2 5 5 2 39.10 2.303 8 2.61 1 1 8.88 9.963 8 100.0 4 2 1 27.52 3.241 8 2.8 2 6 6 39.51 2.281 8 0.480 0 2 9.72 9.098 2 6.4 2 6 2 27.57 3.235 8 11.8 1 9 4 39.64 2.273 8 1.00 2 2 12.20 7.257 4 0.31 1 3 5 27.69 3.221 8 3.7 2 10 0 39.70 2.271 4 0.331 1 2 12.24 7.229 8 1.9 1 5 4 27.76 3.214 8 0.44 1 5 7 39.96 2.256 8 0.372 0 0 12.92 6.849 2 15.9 2 4 4 27.82 3.207 8 1.9 1 7 6 40.19 2.244 8 0.831 3 1 13.69 6.470 8 8.9 3 1 4 27.93 3.194 8 7.8 3 5 6 40.32 2.237 8 0.970 4 0 14.72 6.017 2 0.62 1 7 2 28.51 3.131 8 9.0 3 9 2 40.32 2.237 8 0.882 2 0 14.88 5.953 4 2.0 3 5 2 28.68 3.113 8 7.9 0 2 8 40.35 2.235 4 0.690 4 1 15.51 5.712 4 1.6 4 2 2 28.83 3.097 8 0.70 1 1 8 40.37 2.234 8 0.412 2 1 15.66 5.658 8 3.4 0 0 6 29.45 3.033 2 0.31 3 9 3 41.89 2.157 8 0.461 3 2 16.09 5.509 8 5.8 0 8 0 29.70 3.008 2 0.37 5 7 1 42.48 2.128 8 0.660 2 3 16.37 5.416 4 7.5 3 3 4 29.88 2.990 8 2.5 2 10 3 42.51 2.126 8 0.971 1 3 16.40 5.405 8 0.70 0 2 6 30.39 2.941 4 0.89 6 4 1 42.65 2.120 8 0.750 4 2 17.67 5.019 4 1.1 4 4 1 30.43 2.937 8 0.73 5 3 5 42.82 2.112 8 0.481 3 3 19.46 4.562 8 4.3 4 2 3 30.89 2.895 8 0.61 6 2 3 42.99 2.104 8 0.890 0 4 19.51 4.549 2 13.4 1 5 5 31.50 2.840 8 0.53 6 4 2 43.55 2.078 8 1.12 4 0 19.64 4.520 4 4.8 2 4 5 31.56 2.835 8 3.0 3 9 4 44.00 2.058 8 0.341 5 1 20.15 4.406 8 3.5 4 4 2 31.63 2.829 8 0.36 4 2 7 44.39 2.041 8 0.372 4 1 20.24 4.387 8 19.6 1 3 6 32.22 2.778 8 1.6 1 5 8 44.55 2.034 8 0.733 1 1 20.39 4.356 8 11.3 4 0 4 32.73 2.736 4 0.57 2 10 4 44.60 2.032 8 1.70 4 3 20.79 4.272 4 9.2 3 7 1 32.98 2.716 8 0.36 3 1 8 44.67 2.029 8 0.860 2 4 20.88 4.255 4 3.5 0 4 6 33.08 2.708 4 2.6 4 8 4 44.77 2.024 8 0.351 1 4 20.90 4.250 8 29.2 0 6 5 33.24 2.695 4 0.63 0 12 0 45.21 2.006 2 1.22 2 3 20.91 4.249 8 0.75 0 8 3 33.24 2.695 4 0.31 3 3 8 45.99 1.973 8 0.291 5 2 21.87 4.063 8 7.5 1 7 4 33.31 2.689 8 0.53 6 6 1 46.01 1.973 8 0.712 4 2 21.96 4.048 8 33.1 3 3 5 33.41 2.682 8 0.43 4 10 0 46.10 1.969 4 0.773 1 2 22.09 4.024 8 0.63 3 5 4 33.46 2.678 8 0.30 3 11 1 46.28 1.962 8 1.10 6 0 22.16 4.011 2 0.91 4 2 4 33.59 2.668 8 2.6 3 9 5 46.60 1.949 8 0.540 6 1 22.70 3.917 4 1.3 0 2 7 35.32 2.541 4 1.5 7 1 1 46.84 1.939 8 0.603 3 1 22.94 3.877 8 3.7 1 1 7 35.34 2.540 8 1.4 6 6 2 46.86 1.939 8 1.61 3 4 23.40 3.802 8 4.2 2 4 6 35.65 2.518 8 0.92 4 8 5 47.34 1.920 8 2.12 0 4 23.48 3.790 4 2.0 2 6 5 35.80 2.508 8 3.4 0 4 9 47.44 1.917 4 0.690 6 2 24.25 3.670 4 13.7 4 6 2 35.86 2.504 8 0.57 6 2 5 47.62 1.910 8 0.563 3 2 24.47 3.637 8 1.3 3 7 3 35.89 2.502 8 1.2 4 0 8 48.02 1.895 4 1.41 5 3 24.49 3.635 8 6.9 5 1 3 36.17 2.484 8 0.60 3 7 7 48.20 1.888 8 0.390 4 4 24.53 3.629 4 1.2 0 6 6 37.16 2.419 4 1.1 0 10 6 48.27 1.885 4 0.332 4 3 24.56 3.625 8 0.84 0 10 0 37.36 2.407 2 2.0 3 11 3 48.52 1.876 8 0.443 1 3 24.68 3.607 8 2.4 4 6 3 37.58 2.393 8 0.33 5 9 2 48.62 1.873 8 0.350 2 5 25.57 3.484 4 3.7 0 4 7 37.69 2.386 4 4.9 4 2 8 48.65 1.872 8 0.351 1 5 25.59 3.480 8 0.54 0 10 1 37.70 2.386 4 0.75 1 5 9 49.34 1.847 8 0.334 0 0 26.02 3.425 2 8.1 5 5 1 38.12 2.361 8 0.87 4 6 7 49.54 1.840 8 0.452 6 1 26.21 3.400 8 0.77 5 1 4 38.54 2.336 8 1.7 3 9 6 49.64 1.836 8 0.740 6 3 26.64 3.346 4 1.2 0 8 5 38.84 2.319 4 0.30 5 9 3 49.97 1.825 8 0.54

IHW

ITQ

-32

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

IMF Calcined IM-5




X-ray Rietveld refinement, RF = 0.075, wRp = 0.188

REFERENCE: Ch. Baerlocher, F. Gramm, L. Massuger, L. B. McCusker, Z. He,S. Hovmoller, X. Zou, Science 315 1113–1116 (2007).


0 2 1 5.39 16.390 4 1.1 0 4 5 23.09 3.851 4 37.9 2 12 5 31.80 2.814 8 1.10 4 1 7.60 11.636 4 62.2 1 1 5 23.16 3.841 8 1.8 5 3 0 31.84 2.811 4 2.21 3 0 7.76 11.396 4 100.0 3 9 0 23.42 3.799 4 28.0 0 4 7 31.95 2.801 4 0.641 1 1 7.79 11.352 8 4.9 3 7 2 23.46 3.792 8 1.7 4 10 3 32.57 2.749 8 0.560 0 2 8.85 9.997 2 52.1 3 3 3 23.51 3.784 8 5.6 3 17 1 32.95 2.719 8 0.601 3 1 8.93 9.901 8 4.8 1 3 5 23.58 3.773 8 4.3 1 19 3 33.24 2.695 8 0.610 6 0 9.27 9.539 2 48.5 2 10 3 24.02 3.705 8 0.88 2 18 3 33.68 2.661 8 0.390 2 2 9.37 9.438 4 0.96 0 6 5 24.13 3.688 4 0.47 2 20 0 33.76 2.655 4 0.381 5 1 10.87 8.142 8 2.9 1 15 0 24.15 3.685 4 10.6 2 2 7 33.97 2.639 8 0.401 1 2 10.93 8.094 8 0.93 1 5 5 24.40 3.649 8 4.3 2 20 1 34.07 2.631 8 0.731 3 2 11.78 7.515 8 3.0 0 16 0 24.89 3.577 2 2.5 0 20 3 34.09 2.630 4 0.470 8 0 12.37 7.155 2 8.8 1 13 3 25.04 3.557 8 1.2 4 4 5 34.34 2.611 8 1.82 0 0 12.46 7.104 2 19.7 4 0 0 25.07 3.552 2 17.8 0 22 0 34.47 2.602 2 0.421 7 0 12.49 7.087 4 6.6 3 9 2 25.08 3.551 8 1.1 5 9 0 34.57 2.595 4 0.670 6 2 12.83 6.902 4 0.47 2 14 0 25.13 3.543 4 0.45 5 3 3 34.63 2.590 8 1.41 5 2 13.31 6.653 8 0.74 0 14 3 25.56 3.485 4 0.46 5 5 3 35.22 2.548 8 0.532 4 1 14.61 6.064 8 2.0 1 7 5 25.58 3.483 8 0.91 3 17 3 35.37 2.537 8 0.470 4 3 14.66 6.042 4 11.0 2 2 5 25.75 3.459 8 0.38 3 13 5 35.77 2.510 8 1.70 8 2 15.23 5.818 4 4.8 1 15 2 25.76 3.458 8 2.2 0 0 8 35.93 2.499 2 1.02 0 2 15.30 5.791 4 0.61 2 12 3 26.18 3.404 8 7.8 2 20 3 36.43 2.466 8 1.41 3 3 15.40 5.753 8 3.0 4 4 1 26.23 3.397 8 0.52 0 12 7 36.67 2.451 4 0.490 10 0 15.48 5.724 2 0.69 2 4 5 26.32 3.386 8 2.0 3 3 7 37.05 2.426 8 1.22 6 0 15.55 5.698 4 12.3 0 16 2 26.46 3.368 4 0.64 3 5 7 37.60 2.392 8 0.372 2 2 15.61 5.676 8 0.92 4 0 2 26.63 3.347 4 0.91 3 21 0 38.09 2.362 4 0.830 10 1 16.11 5.503 4 0.72 0 0 6 26.75 3.332 2 1.5 5 11 3 38.54 2.336 8 0.631 5 3 16.61 5.338 8 5.2 4 6 0 26.78 3.329 4 6.7 0 20 5 38.69 2.327 4 0.822 8 0 17.59 5.041 4 1.2 3 9 3 27.02 3.300 8 0.68 2 12 7 38.87 2.317 8 0.701 9 2 17.67 5.020 8 0.71 0 10 5 27.20 3.278 4 1.0 3 17 5 39.84 2.263 8 0.660 0 4 17.74 4.998 2 7.4 3 13 0 27.66 3.225 4 1.5 5 13 3 40.12 2.248 8 0.492 6 2 17.92 4.950 8 0.49 2 16 0 27.92 3.195 4 3.9 3 1 8 40.86 2.209 8 0.421 7 3 18.27 4.855 8 0.60 4 8 0 28.04 3.182 4 0.76 0 4 9 41.12 2.195 4 0.460 12 0 18.60 4.770 2 0.84 0 18 0 28.06 3.180 2 0.69 3 7 8 42.36 2.134 8 0.431 11 1 18.69 4.746 8 5.3 1 11 5 28.85 3.095 8 9.7 1 15 8 43.76 2.068 8 1.10 12 1 19.13 4.640 4 0.50 3 13 2 29.10 3.069 8 0.50 3 25 0 43.92 2.061 4 0.563 3 0 19.31 4.597 4 0.98 0 12 5 29.14 3.064 4 1.6 0 0 10 45.36 1.999 2 4.51 3 4 19.39 4.578 8 0.65 4 4 3 29.16 3.062 8 0.51 7 1 2 45.63 1.988 8 0.462 8 2 19.72 4.501 8 1.8 2 16 2 29.35 3.043 8 1.2 4 24 0 45.83 1.980 4 1.42 10 0 19.92 4.457 4 0.52 3 9 4 29.53 3.024 8 0.45 5 19 3 45.97 1.974 8 1.30 10 3 20.45 4.342 4 0.74 2 10 5 30.02 2.976 8 0.80 2 16 8 46.11 1.969 8 2.13 5 1 20.78 4.275 8 1.7 3 15 0 30.07 2.971 4 4.1 0 28 3 46.46 1.954 4 0.463 1 2 20.81 4.268 8 3.5 1 15 4 30.13 2.966 8 0.49 4 20 5 46.66 1.947 8 1.80 14 0 21.74 4.088 2 1.2 3 5 5 30.28 2.952 8 2.2 7 9 0 46.99 1.934 4 3.70 14 1 22.19 4.005 4 0.36 1 19 0 30.33 2.947 4 0.37 7 3 3 47.04 1.932 8 0.851 11 3 22.56 3.941 8 5.9 3 13 3 30.80 2.903 8 0.71 0 26 5 47.12 1.928 4 1.20 12 3 22.93 3.879 4 6.4 0 14 5 31.29 2.859 4 0.65 2 28 3 48.30 1.884 8 0.74

IMF

Calcined

IM-5

504030201002 theta (°)

70

60

50

40

30

20

10

0

ISV ITQ–7, Siliceous, Calcined



CRYSTAL DATA: P 42/m mc (No. 131)a = 12.8528 A b = 12.8528 A c = 25.2136 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦

X-ray Rietveld refinement, Rp = 0.0827, Rwp = 0.1076, Rb = 0.0.0626

REFERENCE: L. A. Villaescusa, P. A. Barrett and M. A. Camblor,Angew. Chem., Int. Ed. 38 1997–2000 (1999).


1 0 0 6.88 12.853 4 52.2 4 0 1 27.99 3.187 8 0.21 4 3 4 37.79 2.380 16 0.460 0 2 7.01 12.607 2 100.0 3 1 5 28.20 3.164 16 0.16 3 2 8 38.11 2.361 16 0.321 0 1 7.72 11.451 8 65.5 0 0 8 28.32 3.152 2 4.2 2 0 10 38.35 2.347 8 0.151 1 0 9.73 9.088 4 60.5 2 0 7 28.40 3.142 8 0.27 5 2 2 38.38 2.345 16 0.241 0 2 9.83 9.000 8 41.4 4 1 0 28.64 3.117 8 1.6 3 0 9 38.39 2.345 8 0.191 0 3 12.58 7.034 8 0.67 4 0 2 28.67 3.114 8 0.40 5 1 4 38.46 2.340 16 0.762 0 0 13.78 6.426 4 6.3 3 2 4 28.77 3.103 16 1.2 2 1 10 39.01 2.309 16 0.340 0 4 14.05 6.303 2 1.1 2 2 6 28.94 3.085 8 2.1 4 4 0 39.67 2.272 4 1.02 0 1 14.22 6.227 8 2.3 1 0 8 29.17 3.061 8 0.29 1 0 11 39.95 2.257 8 0.242 1 0 15.42 5.748 8 4.3 3 3 0 29.48 3.029 4 2.5 4 0 8 40.07 2.250 8 0.972 0 2 15.48 5.725 8 0.29 4 1 2 29.52 3.026 16 1.6 4 2 7 40.14 2.247 16 0.151 0 4 15.66 5.659 8 2.7 4 0 3 29.77 3.001 8 0.91 5 3 0 40.94 2.204 8 0.252 1 1 15.81 5.604 16 0.47 3 0 6 29.78 3.000 8 2.9 5 3 1 41.11 2.196 16 0.192 1 2 16.95 5.230 16 2.8 1 1 8 30.01 2.978 8 0.82 5 2 5 41.87 2.157 16 0.251 1 4 17.12 5.180 8 2.0 3 3 2 30.34 2.946 8 0.55 6 0 0 42.19 2.142 4 1.42 1 3 18.70 4.744 16 0.87 3 1 6 30.60 2.921 16 0.19 4 4 4 42.28 2.137 8 0.311 0 5 18.90 4.694 8 3.4 3 2 5 30.71 2.911 16 1.1 6 0 1 42.34 2.134 8 0.492 2 0 19.53 4.544 4 5.8 4 2 0 31.12 2.874 8 3.6 4 2 8 42.57 2.124 16 0.322 0 4 19.73 4.500 8 7.2 4 0 4 31.24 2.863 8 3.3 6 0 2 42.82 2.112 8 0.303 0 0 20.73 4.284 4 0.92 4 2 1 31.33 2.855 16 1.5 4 0 9 42.82 2.112 8 0.232 2 2 20.78 4.275 8 1.0 2 0 8 31.62 2.830 8 0.40 0 0 12 43.05 2.101 2 2.62 1 4 20.92 4.247 16 0.56 4 2 2 31.94 2.802 16 0.57 5 3 4 43.49 2.081 16 2.13 0 1 21.03 4.224 8 1.3 4 1 4 32.03 2.794 16 1.3 5 2 6 43.61 2.075 16 1.10 0 6 21.14 4.202 2 2.2 2 1 8 32.40 2.764 16 0.20 1 0 12 43.65 2.074 8 0.153 1 0 21.87 4.064 8 21.3 3 3 4 32.80 2.730 8 0.42 3 2 10 43.99 2.058 16 0.753 0 2 21.91 4.056 8 8.4 3 2 6 32.95 2.718 16 2.8 1 1 12 44.24 2.047 8 0.423 1 1 22.15 4.013 16 4.3 4 0 5 33.06 2.710 8 0.32 3 0 11 44.84 2.021 8 0.291 0 6 22.26 3.994 8 21.5 3 1 7 33.23 2.696 16 0.22 5 3 5 44.88 2.020 16 0.152 0 5 22.41 3.967 8 0.51 4 2 4 34.29 2.615 16 0.28 5 4 0 45.17 2.007 8 0.273 1 2 22.99 3.868 16 1.7 5 0 0 34.90 2.571 4 0.27 5 0 8 45.54 1.992 8 0.173 0 3 23.30 3.817 8 0.22 4 3 0 34.90 2.571 8 0.23 5 4 2 45.77 1.982 16 0.411 1 6 23.32 3.814 8 3.4 4 3 1 35.09 2.557 16 0.82 5 1 8 46.11 1.969 16 0.412 1 5 23.47 3.791 16 0.22 5 0 1 35.09 2.557 8 0.33 4 1 10 46.31 1.960 16 0.472 2 4 24.14 3.686 8 2.9 4 0 6 35.16 2.553 8 0.69 5 4 3 46.51 1.952 16 0.223 1 3 24.33 3.659 16 0.50 3 0 8 35.35 2.539 8 0.16 5 3 6 46.52 1.952 16 0.273 2 0 24.98 3.565 8 3.0 0 0 10 35.61 2.521 2 0.50 3 3 10 46.88 1.938 8 0.533 2 1 25.23 3.530 16 0.61 5 1 0 35.62 2.521 8 1.0 3 2 11 47.14 1.928 16 0.262 0 6 25.32 3.517 8 2.9 5 0 2 35.64 2.519 8 1.5 1 0 13 47.40 1.918 8 0.191 0 7 25.68 3.468 8 1.9 4 3 2 35.64 2.519 16 1.3 2 2 12 47.68 1.907 8 0.153 2 2 25.97 3.430 16 1.6 2 1 9 35.65 2.518 16 0.31 4 2 10 48.00 1.895 16 0.433 1 4 26.09 3.416 16 1.3 4 1 6 35.87 2.504 16 2.8 6 2 5 48.28 1.885 16 0.212 1 6 26.27 3.392 16 2.1 4 2 5 35.97 2.497 16 0.35 5 3 7 48.41 1.880 16 0.233 2 3 27.17 3.282 16 0.38 3 1 8 36.06 2.491 16 1.3 5 1 9 48.59 1.874 16 0.163 0 5 27.31 3.265 8 0.88 1 0 10 36.31 2.474 8 0.83 3 1 12 48.79 1.866 16 0.314 0 0 27.76 3.213 4 8.1 5 2 0 37.69 2.387 8 0.16 5 4 5 48.83 1.865 16 0.24

ISV

ITQ

–7,Siliceous,

Calcined

504030201002 theta (°)

70

60

50

40

30

20

10

0

ITE ITQ–3, Calcined




X-ray Rietveld refinement, Rwp = 0.086, Rp = 0.062

REFERENCE: M.A. Camblor, A. Corma, P. Lightfoot, L.A. Villaescusa and P.A. Wright,Angew. Chem., Int. Ed. 36 2659–2661 (1997).


2 0 0 8.58 10.311 2 100.0 3 3 1 30.84 2.900 8 2.0 3 3 6 41.36 2.183 8 0.210 0 2 9.01 9.811 2 87.8 1 3 3 31.10 2.876 8 2.9 7 3 0 41.42 2.180 4 0.631 1 0 10.06 8.795 4 53.6 4 2 4 31.17 2.869 8 3.0 9 1 2 41.52 2.175 8 0.321 1 1 11.02 8.026 8 5.9 3 1 6 31.66 2.826 8 1.6 2 2 8 42.18 2.142 8 0.212 0 2 12.45 7.108 4 4.3 7 1 0 31.74 2.819 4 2.4 5 3 5 42.28 2.137 8 0.171 1 2 13.52 6.549 8 0.22 6 0 4 31.79 2.815 4 1.7 7 1 6 42.32 2.135 8 2.03 1 0 15.79 5.613 4 2.2 3 3 2 31.86 2.809 8 1.8 2 4 4 42.41 2.131 8 0.411 1 3 16.89 5.249 8 5.0 6 2 0 31.89 2.807 4 1.00 6 2 6 42.44 2.130 8 0.164 0 0 17.20 5.155 2 1.7 4 0 6 32.42 2.762 4 1.7 1 1 9 42.73 2.116 8 0.470 0 4 18.08 4.906 2 0.36 5 1 5 32.82 2.729 8 0.19 9 1 3 42.84 2.111 8 0.433 1 2 18.21 4.872 8 40.7 0 2 6 33.01 2.714 4 1.5 4 4 3 43.42 2.084 8 0.250 2 1 18.80 4.719 4 4.6 7 1 2 33.06 2.710 8 1.8 7 3 3 43.77 2.068 8 0.634 0 2 19.45 4.564 4 8.0 6 2 2 33.20 2.698 8 1.7 8 2 4 43.82 2.066 8 0.522 0 4 20.04 4.430 4 9.6 1 3 4 33.42 2.681 8 0.34 5 1 8 43.94 2.060 8 0.112 2 0 20.19 4.398 4 5.9 1 1 7 33.55 2.671 8 1.2 3 1 9 44.58 2.032 8 0.640 2 2 20.38 4.357 4 6.0 4 2 5 34.12 2.627 8 0.14 9 1 4 44.63 2.030 8 0.262 2 1 20.70 4.291 8 0.49 2 2 6 34.17 2.624 8 2.8 4 2 8 44.97 2.016 8 1.21 1 4 20.73 4.284 8 3.8 7 1 3 34.64 2.589 8 0.54 5 3 6 45.10 2.010 8 0.123 1 3 20.85 4.260 8 2.3 6 2 3 34.78 2.579 8 0.29 4 4 4 45.19 2.007 8 0.112 2 2 22.15 4.013 8 7.0 5 3 0 35.21 2.549 4 0.16 7 1 7 45.63 1.988 8 0.920 2 3 22.79 3.902 4 1.3 3 3 4 35.68 2.517 8 1.0 6 2 7 45.74 1.983 8 0.225 1 1 23.87 3.728 8 1.1 3 1 7 35.80 2.508 8 0.36 8 2 5 46.08 1.970 8 0.553 1 4 24.09 3.694 8 8.0 8 0 2 36.02 2.493 4 0.15 0 0 10 46.26 1.962 2 0.212 2 3 24.39 3.650 8 6.9 1 3 5 36.20 2.481 8 0.38 1 3 8 46.64 1.947 8 0.141 1 5 24.84 3.584 8 2.7 5 1 6 36.25 2.478 8 2.2 6 4 2 46.69 1.945 8 0.604 0 4 25.06 3.554 4 14.2 5 3 2 36.42 2.467 8 0.28 9 1 5 46.85 1.939 8 0.555 1 2 25.15 3.541 8 8.1 7 1 4 36.77 2.444 8 0.14 1 5 0 46.92 1.936 4 0.724 2 0 25.18 3.537 4 4.0 6 2 4 36.90 2.436 8 1.0 1 5 1 47.17 1.927 8 0.364 2 1 25.59 3.481 8 1.6 0 4 1 37.27 2.413 4 1.7 4 4 5 47.39 1.918 8 0.370 2 4 25.80 3.453 4 0.15 2 0 8 37.70 2.386 4 0.25 2 4 6 47.42 1.917 8 1.46 0 0 25.92 3.437 2 0.20 6 0 6 37.98 2.369 4 0.37 1 1 10 47.47 1.915 8 1.04 2 2 26.79 3.328 8 0.30 2 2 7 38.07 2.364 8 0.12 7 3 5 47.72 1.906 8 0.145 1 3 27.15 3.284 8 2.7 1 1 8 38.09 2.363 8 0.66 1 5 2 47.89 1.900 8 0.472 2 4 27.23 3.275 8 2.2 3 3 5 38.32 2.349 8 0.16 6 4 3 47.89 1.899 8 1.40 0 6 27.27 3.270 2 1.9 7 1 5 39.35 2.290 8 1.6 10 2 0 47.91 1.898 4 0.356 0 2 27.50 3.244 4 0.93 1 3 6 39.38 2.288 8 0.37 5 1 9 48.12 1.891 8 0.131 3 0 27.86 3.202 4 1.6 8 0 4 39.49 2.282 4 0.11 9 3 0 48.66 1.871 4 0.741 3 1 28.24 3.160 8 3.4 0 4 3 39.55 2.279 4 0.70 8 2 6 48.72 1.869 8 0.162 0 6 28.63 3.117 4 1.8 8 2 0 39.57 2.277 4 0.39 3 5 1 48.89 1.863 8 0.354 2 3 28.69 3.111 8 0.83 5 3 4 39.86 2.262 8 0.34 3 1 10 49.19 1.852 8 0.651 1 6 29.13 3.065 8 0.28 9 1 0 40.44 2.230 4 0.14 9 1 6 49.46 1.843 8 0.151 3 2 29.34 3.044 8 0.49 8 2 2 40.67 2.218 8 0.40 11 1 0 49.52 1.841 4 0.775 1 4 29.75 3.003 8 0.83 4 0 8 40.74 2.215 4 0.64 6 4 4 49.54 1.840 8 0.313 3 0 30.49 2.932 4 4.4 4 4 0 41.05 2.199 4 0.27 4 0 10 49.71 1.834 4 0.142 2 5 30.53 2.928 8 3.3 4 4 1 41.32 2.185 8 0.25 4 4 6 49.98 1.825 8 0.34

ITE

ITQ

–3,Calcined

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

ITH ITQ-13

CHEMICAL COMPOSITION: |C26N4F4(H2O)4| [Si56O112]

REFINED COMPOSITION: |C26.04N4F4(H2O)4| [Si56O112]

CRYSTAL DATA: Amm2 (No. 38)a = 12.525 A b = 11.391 A c = 22.053 Aα = 90◦ β = 90◦ γ = 90◦

X-ray Rietveld refinement, RF = 0.0800, wRF2 = 0.2081

REFERENCE: A. Corma, M. Puche, F. Rey, G. Sankar and S. J. Teat,Angew. Chem., Int. Ed. 42 1156–1159 (2003).


1 0 0 7.06 12.525 2 100.0 1 1 7 30.29 2.951 8 1.3 2 3 7 39.87 2.261 8 1.70 0 2 8.02 11.026 2 48.3 3 1 5 30.51 2.930 8 5.3 0 4 6 40.05 2.251 4 2.20 1 1 8.74 10.121 4 43.5 0 3 5 31.08 2.878 4 3.8 2 1 9 40.31 2.237 8 1.31 0 2 10.69 8.276 4 17.0 3 2 4 31.12 2.874 8 9.3 0 0 10 40.92 2.205 2 0.641 1 1 11.24 7.872 8 63.8 1 3 5 31.91 2.805 8 0.31 4 2 6 41.05 2.199 8 0.422 0 0 14.14 6.262 2 0.33 4 1 3 32.05 2.793 8 1.6 4 1 7 41.42 2.180 8 0.350 1 3 14.34 6.177 4 31.3 3 3 1 32.12 2.787 8 6.1 0 5 3 41.50 2.176 4 0.460 2 0 15.56 5.695 2 8.8 2 2 6 32.32 2.770 8 0.69 1 0 10 41.58 2.172 4 0.881 1 3 16.00 5.540 8 9.8 3 0 6 32.45 2.759 4 1.2 3 2 8 42.37 2.133 8 0.450 0 4 16.08 5.513 2 21.2 0 4 2 32.47 2.757 4 1.1 2 5 1 42.42 2.131 8 0.802 0 2 16.28 5.446 4 4.7 0 0 8 32.48 2.757 2 0.46 2 4 6 42.68 2.118 8 2.02 1 1 16.65 5.325 8 7.9 4 2 0 32.63 2.744 4 0.82 4 4 0 42.93 2.107 4 0.631 2 0 17.10 5.185 4 4.1 2 1 7 32.78 2.732 8 0.59 6 0 0 43.34 2.087 2 5.80 2 2 17.53 5.060 4 2.1 4 0 4 32.89 2.723 4 0.72 5 3 1 43.47 2.082 8 1.01 2 2 18.91 4.692 8 9.7 1 4 2 33.27 2.693 8 4.7 2 0 10 43.51 2.080 4 0.352 1 3 20.19 4.398 8 2.8 1 0 8 33.28 2.692 4 2.2 3 1 9 43.56 2.078 8 0.512 2 0 21.08 4.214 4 27.8 3 3 3 34.17 2.624 8 0.32 4 0 8 43.75 2.069 4 0.423 0 0 21.28 4.175 2 6.5 2 3 5 34.29 2.615 8 2.8 0 2 10 44.03 2.057 4 0.872 0 4 21.47 4.138 4 18.1 2 4 0 34.60 2.592 4 2.1 6 0 2 44.15 2.051 4 0.840 1 5 21.61 4.113 4 21.9 0 4 4 35.48 2.530 4 5.4 1 2 10 44.65 2.029 8 0.350 2 4 22.44 3.961 4 19.7 2 0 8 35.58 2.523 4 3.8 5 3 3 45.08 2.011 8 1.82 2 2 22.59 3.936 8 1.2 5 0 0 35.85 2.505 2 2.0 3 5 1 45.54 1.992 8 0.771 1 5 22.76 3.908 8 11.2 4 1 5 36.05 2.491 8 0.84 3 4 6 45.79 1.981 8 0.683 0 2 22.77 3.904 4 27.6 3 2 6 36.18 2.483 8 0.29 0 4 8 45.81 1.981 4 3.53 1 1 23.04 3.859 8 80.8 0 2 8 36.20 2.481 4 5.8 6 1 3 45.89 1.978 8 0.320 3 1 23.78 3.742 4 60.4 1 4 4 36.22 2.480 8 1.1 0 1 11 45.96 1.974 4 2.00 0 6 24.21 3.675 2 41.5 3 1 7 36.59 2.456 8 3.2 6 2 0 46.32 1.960 4 0.331 3 1 24.83 3.585 8 3.6 5 0 2 36.79 2.443 4 0.77 1 4 8 46.41 1.956 8 1.11 0 6 25.25 3.527 4 2.3 1 2 8 36.93 2.434 8 1.8 2 3 9 46.43 1.956 8 0.613 1 3 25.76 3.459 8 2.0 5 1 1 36.97 2.432 8 1.1 6 0 4 46.52 1.952 4 0.582 1 5 25.92 3.438 8 5.2 0 3 7 37.08 2.425 4 2.4 1 1 11 46.56 1.950 8 0.660 3 3 26.42 3.374 4 5.9 4 3 1 37.45 2.401 8 2.4 3 0 10 46.57 1.950 4 0.292 2 4 26.63 3.348 8 10.8 4 0 6 37.74 2.384 4 3.4 5 2 6 46.69 1.945 8 1.33 0 4 26.78 3.328 4 2.1 1 3 7 37.79 2.380 8 1.3 5 1 7 47.03 1.932 8 2.31 3 3 27.38 3.257 8 0.76 3 3 5 37.98 2.369 8 0.30 2 5 5 47.19 1.926 8 0.713 2 2 27.70 3.220 8 4.1 3 4 0 38.26 2.353 4 2.0 0 6 0 47.91 1.899 2 2.72 3 1 27.77 3.212 8 17.4 2 4 4 38.37 2.346 8 2.2 5 3 5 48.16 1.889 8 1.52 0 6 28.15 3.170 4 4.6 5 1 3 38.79 2.321 8 1.9 2 4 8 48.19 1.888 8 0.454 0 0 28.51 3.131 2 6.4 2 2 8 39.05 2.307 8 1.4 5 4 0 48.39 1.881 4 0.690 2 6 28.91 3.088 4 1.8 3 4 2 39.15 2.301 8 4.3 0 6 2 48.67 1.871 4 1.10 1 7 29.41 3.036 4 5.0 3 0 8 39.16 2.300 4 2.6 5 4 2 49.14 1.854 8 4.04 0 2 29.66 3.012 4 0.29 4 3 3 39.25 2.295 8 0.62 5 0 8 49.14 1.854 4 2.01 2 6 29.80 2.998 8 1.5 5 2 0 39.29 2.293 4 0.84 3 3 9 49.35 1.847 8 0.644 1 1 29.87 2.991 8 0.40 5 0 4 39.51 2.281 4 1.0 4 5 1 49.66 1.836 8 0.292 3 3 30.09 2.970 8 0.82 0 5 1 39.78 2.266 4 0.54 4 4 6 49.89 1.828 8 0.31

ITH

ITQ

-13

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

ITW ITQ-12



CRYSTAL DATA: Cm (No. 8; unique axis b, cell choice 1)a = 10.1725 A b = 15.0432 A c = 8.8345 Aα = 90◦ β = 105.172◦ γ = 90◦


REFERENCE: P. A. Barrett, T. Boix, M. Puche, D. H. Olson, E. Jordan, H. Koller andM. A. Camblor, J. Chem. Soc., Chem. Commun. 2114–2115 (2003).


0 0 1 10.37 8.527 2 0.33 1 5 1 33.64 2.664 4 0.14 1 7 0 43.09 2.099 4 0.601 1 0 10.76 8.222 4 100.0 0 2 3 33.71 2.659 4 1.7 -2 2 4 43.32 2.089 4 0.080 2 0 11.77 7.522 2 9.7 -2 4 2 33.80 2.652 4 1.6 -2 6 2 43.45 2.082 4 0.16

-1 1 1 13.22 6.697 4 29.3 -2 2 3 34.20 2.622 4 3.5 -4 2 3 43.64 2.074 4 0.790 2 1 15.71 5.641 4 49.9 -3 3 2 34.82 2.576 4 0.47 -1 7 1 43.83 2.065 4 0.071 1 1 16.54 5.361 4 0.61 -4 0 1 35.30 2.542 2 0.07 3 5 1 44.02 2.057 4 0.272 0 0 18.07 4.909 2 11.0 -1 3 3 35.36 2.539 4 0.24 4 4 0 44.05 2.055 4 0.16

-2 0 1 18.34 4.837 2 16.3 1 1 3 35.61 2.521 4 0.96 0 2 4 44.16 2.051 4 0.071 3 0 19.88 4.466 4 2.7 0 6 0 35.81 2.507 2 1.2 -4 4 2 44.54 2.034 4 0.070 0 2 20.84 4.263 2 10.1 -1 5 2 36.31 2.474 4 0.04 -3 1 4 44.65 2.029 4 0.69

-1 1 2 21.27 4.177 4 2.5 -3 1 3 36.53 2.460 4 1.3 -1 3 4 44.88 2.019 4 0.08-1 3 1 21.33 4.165 4 3.2 3 3 1 36.57 2.457 4 0.17 -5 1 1 44.98 2.015 4 1.02 2 0 21.62 4.111 4 0.23 4 0 0 36.61 2.454 2 1.2 1 7 1 45.05 2.012 4 0.09

-2 2 1 21.85 4.068 4 0.26 -4 0 2 37.18 2.418 2 0.66 -5 1 2 45.94 1.975 4 0.692 0 1 23.15 3.842 2 5.1 -4 2 1 37.34 2.408 4 2.7 1 1 4 46.28 1.962 4 0.401 3 1 23.56 3.776 4 0.62 0 6 1 37.39 2.405 4 0.04 1 5 3 46.61 1.948 4 0.850 4 0 23.66 3.761 2 4.7 4 2 0 38.58 2.333 4 0.20 5 1 0 46.65 1.947 4 0.08

-2 0 2 23.79 3.740 2 4.9 1 5 2 39.09 2.304 4 0.92 -1 7 2 47.17 1.927 4 0.070 2 2 23.99 3.709 4 6.7 -4 2 2 39.13 2.302 4 0.02 4 0 2 47.32 1.921 2 2.21 1 2 25.56 3.485 4 8.4 3 1 2 39.30 2.292 4 0.82 -3 5 3 47.35 1.920 4 0.050 4 1 25.89 3.441 4 20.5 2 4 2 39.51 2.281 4 0.08 2 4 3 47.55 1.912 4 0.942 2 1 26.04 3.421 4 4.9 1 3 3 39.56 2.278 4 0.12 4 4 1 47.73 1.905 4 0.02

-2 2 2 26.62 3.349 4 4.6 0 4 3 39.75 2.267 4 0.37 3 1 3 47.95 1.897 4 0.03-1 3 2 27.14 3.285 4 0.27 -2 4 3 40.17 2.245 4 0.18 -3 3 4 47.98 1.896 4 0.07-3 1 1 27.16 3.283 4 15.0 -3 5 1 40.21 2.243 4 1.6 2 6 2 48.20 1.888 4 0.773 1 0 27.90 3.198 4 5.9 2 6 0 40.39 2.233 4 0.03 -5 3 1 48.30 1.884 4 0.282 4 0 29.93 2.985 4 0.05 -3 3 3 40.40 2.232 4 0.24 -2 4 4 48.35 1.882 4 0.70

-2 4 1 30.10 2.969 4 0.10 -2 6 1 40.53 2.226 4 0.08 0 8 0 48.41 1.880 2 2.7-3 1 2 30.35 2.945 4 1.3 2 0 3 40.63 2.221 2 0.03 0 6 3 48.41 1.880 4 1.91 3 2 30.67 2.915 4 0.35 3 5 0 40.74 2.215 4 1.0 -4 4 3 48.65 1.872 4 0.11

-1 1 3 30.95 2.889 4 2.2 4 0 1 40.83 2.210 2 0.07 -4 0 4 48.70 1.870 2 1.81 5 0 31.09 2.877 4 6.6 -1 1 4 41.36 2.183 4 0.14 -2 6 3 48.77 1.867 4 0.412 0 2 31.18 2.869 2 1.8 0 6 2 41.80 2.161 4 1.2 4 2 2 48.94 1.861 4 0.180 0 3 31.48 2.842 2 1.8 -4 0 3 41.86 2.158 2 0.43 0 4 4 49.13 1.854 4 0.300 4 2 31.73 2.820 4 6.1 0 0 4 42.40 2.132 2 0.28 -5 3 2 49.20 1.852 4 0.15

-2 0 3 31.99 2.798 2 0.33 2 2 3 42.44 2.130 4 0.25 -5 1 3 49.40 1.845 4 0.09-3 3 1 32.04 2.794 4 0.17 -3 5 2 42.53 2.126 4 0.57 1 7 2 49.45 1.843 4 0.06-1 5 1 32.07 2.791 4 0.95 4 2 1 42.64 2.120 4 0.94 1 3 4 49.53 1.840 4 0.053 1 1 32.31 2.770 4 0.64 -4 4 1 42.94 2.106 4 0.28 3 5 2 49.63 1.837 4 0.263 3 0 32.67 2.741 4 0.22 3 3 2 42.97 2.105 4 0.61 5 3 0 49.87 1.828 4 0.092 4 1 33.34 2.687 4 1.5 -1 5 3 42.99 2.104 4 1.42 2 2 33.43 2.680 4 2.4 2 6 1 43.08 2.100 4 0.17

ITW

ITQ

-12

504030201002 theta (°)

504846444240383634323028262422201816141210

86420

IWR ITQ-24

CHEMICAL COMPOSITION: [Si48.3Ge5.1Al2.6O112]

REFINED COMPOSITION: [Si49.52Ge6.48O112]

CRYSTAL DATA: Cmmm (No. 65)a = 21.2549 A b = 13.5210 A c = 12.6095 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: R. Castaneda, A. Corma, V. Fornes, F. Rey and J. Rius,J. Am. Chem. Soc 125 7820–7821 (2003).


0 0 1 7.01 12.609 2 26.4 1 1 4 29.39 3.039 8 0.30 1 3 5 41.24 2.189 8 0.091 1 0 7.75 11.408 4 100.0 0 4 2 29.99 2.979 4 0.73 5 5 2 42.12 2.145 8 0.652 0 0 8.32 10.627 2 1.7 4 2 3 30.16 2.963 8 1.3 8 2 3 42.41 2.131 8 0.071 1 1 10.46 8.460 8 3.0 7 1 0 30.16 2.963 4 0.20 10 0 0 42.53 2.125 2 0.222 0 1 10.89 8.126 4 27.5 5 1 3 30.63 2.918 8 0.16 0 6 2 42.60 2.122 4 0.230 2 0 13.10 6.761 2 1.9 7 1 1 31.01 2.884 8 1.3 0 0 6 43.04 2.102 2 1.20 0 2 14.05 6.305 2 1.2 2 4 2 31.18 2.869 8 0.26 8 4 0 43.31 2.089 4 0.143 1 0 14.11 6.276 4 1.7 4 4 0 31.36 2.852 4 0.31 4 6 0 43.63 2.075 4 0.380 2 1 14.87 5.958 4 0.10 3 3 3 31.73 2.820 8 0.87 1 1 6 43.80 2.067 8 0.322 2 0 15.53 5.704 4 0.08 3 1 4 31.76 2.817 8 0.46 2 0 6 43.92 2.062 4 0.083 1 1 15.77 5.618 8 0.54 6 2 2 31.86 2.809 8 0.35 6 0 5 44.08 2.054 4 0.101 1 2 16.06 5.518 8 0.93 4 4 1 32.18 2.782 8 1.0 4 6 1 44.24 2.047 8 0.192 0 2 16.35 5.422 4 3.8 5 3 2 32.24 2.776 8 0.13 8 0 4 44.60 2.032 4 0.224 0 0 16.68 5.314 2 2.4 2 2 4 32.45 2.759 8 0.10 10 2 0 44.69 2.028 4 0.144 0 1 18.12 4.897 4 0.84 4 0 4 33.04 2.711 4 0.08 0 4 5 44.84 2.021 4 0.150 2 2 19.25 4.611 4 2.0 6 0 3 33.07 2.709 4 2.3 7 5 0 44.88 2.019 4 0.413 1 2 19.96 4.448 8 0.49 1 5 0 33.40 2.683 4 0.10 10 0 2 45.01 2.014 4 0.101 3 0 20.14 4.409 4 10.8 7 1 2 33.42 2.681 8 0.08 5 5 3 45.22 2.005 8 0.112 2 2 21.00 4.230 8 0.16 8 0 0 33.73 2.657 2 0.25 10 2 1 45.30 2.002 8 0.100 0 3 21.14 4.203 2 0.25 0 4 3 34.03 2.634 4 0.10 7 5 1 45.49 1.994 8 0.224 2 0 21.27 4.178 4 2.5 1 5 1 34.17 2.624 8 0.22 0 6 3 45.68 1.986 4 0.081 3 1 21.35 4.162 8 0.14 4 4 2 34.51 2.599 8 0.06 2 4 5 45.69 1.986 8 0.324 0 2 21.87 4.063 4 0.78 1 3 4 34.99 2.564 8 0.45 9 3 2 45.69 1.985 8 0.155 1 0 21.92 4.055 4 10.6 2 4 3 35.10 2.557 8 1.5 4 6 2 46.06 1.971 8 0.064 2 1 22.42 3.966 8 0.57 3 5 0 35.53 2.526 4 0.55 6 2 5 46.18 1.966 8 0.411 1 3 22.54 3.944 8 6.0 0 0 5 35.60 2.522 2 0.61 5 3 5 46.46 1.954 8 0.262 0 3 22.75 3.909 4 12.3 5 1 4 36.09 2.489 8 0.68 6 4 4 47.03 1.932 8 0.315 1 1 23.04 3.861 8 0.59 3 5 1 36.26 2.477 8 0.13 10 2 2 47.08 1.930 8 0.083 3 0 23.39 3.803 4 0.18 8 2 0 36.33 2.473 4 0.29 1 7 0 47.25 1.924 4 0.320 2 3 24.94 3.570 4 1.2 7 3 1 36.38 2.469 8 0.13 7 5 2 47.26 1.923 8 0.106 0 0 25.14 3.542 2 1.9 1 5 2 36.40 2.468 8 0.63 7 1 5 47.34 1.920 8 0.303 1 3 25.51 3.492 8 0.10 1 1 5 36.49 2.462 8 0.42 11 1 0 47.53 1.913 4 0.434 2 2 25.58 3.483 8 1.5 6 4 0 36.75 2.446 4 2.0 6 6 0 47.84 1.901 4 0.085 1 2 26.13 3.411 8 0.38 7 1 3 37.13 2.422 8 1.3 1 3 6 47.95 1.897 8 0.066 0 1 26.13 3.410 4 0.15 6 0 4 38.22 2.355 4 0.22 9 1 4 48.64 1.872 8 0.210 4 0 26.37 3.380 2 6.6 7 3 2 38.49 2.339 8 0.20 8 4 3 48.68 1.871 8 0.110 4 1 27.31 3.265 4 0.19 9 1 0 38.70 2.326 4 0.09 5 1 6 48.81 1.866 8 0.153 3 2 27.39 3.256 8 1.3 2 2 5 39.05 2.307 8 0.13 3 7 0 48.87 1.864 4 0.080 0 4 28.31 3.152 2 1.7 0 4 4 39.07 2.305 4 0.72 4 6 3 48.96 1.860 8 0.126 2 0 28.44 3.138 4 1.2 8 2 2 39.13 2.302 8 0.11 5 5 4 49.30 1.848 8 0.212 4 1 28.60 3.121 8 2.0 9 1 1 39.38 2.288 8 0.07 1 7 2 49.54 1.840 8 0.095 3 0 28.87 3.092 4 1.5 6 4 2 39.52 2.280 8 0.21 1 5 5 49.61 1.837 8 0.546 0 2 28.91 3.088 4 1.8 1 5 3 39.87 2.261 8 0.39 11 1 2 49.82 1.830 8 0.266 2 1 29.33 3.045 8 0.07 0 6 0 40.01 2.254 2 0.31 8 0 5 49.85 1.829 4 0.211 3 3 29.36 3.042 8 0.10 5 3 4 40.88 2.208 8 0.13 10 2 3 49.94 1.826 8 0.18

IWR

ITQ

-24

504030201002 theta (°)

30

25

20

15

10

5

0

IWV ITQ-27

CHEMICAL COMPOSITION: [Si147Al5O304]


CRYSTAL DATA: Fmmm (No. 69)a = 27.751 A b = 25.297 A c = 13.792 Aα = 90◦ β = 90◦ γ = 90◦

X-ray Rietveld refinement, Rwp = 0.115, RF2 = 0.118

REFERENCE: D. L. Dorset, G. J. Kennedy, K. G. Strohmaier, M. J. Diaz-Cabanas,F. Rey and A. Corma,J. Am. Chem. Soc. 128 8862–8867 (2006).


2 0 0 6.37 13.876 2 100.0 4 6 2 27.94 3.193 8 0.52 9 5 3 39.44 2.285 8 0.310 2 0 6.99 12.649 2 13.5 3 5 3 27.94 3.193 8 1.0 7 9 1 39.85 2.262 8 0.211 1 1 7.97 11.099 8 48.9 0 8 0 28.22 3.162 2 0.41 1 11 1 39.87 2.261 8 0.102 2 0 9.46 9.348 4 9.5 8 0 2 28.81 3.099 4 0.12 7 1 5 39.98 2.255 8 0.283 1 1 12.04 7.351 8 1.2 4 0 4 28.92 3.088 4 0.22 5 5 5 40.64 2.220 8 0.131 3 1 12.71 6.964 8 0.88 7 5 1 29.34 3.044 8 1.8 6 10 0 40.65 2.219 4 0.114 0 0 12.76 6.938 2 0.50 8 4 0 29.37 3.041 4 0.31 11 1 3 40.96 2.203 8 0.150 0 2 12.84 6.896 2 3.7 8 2 2 29.68 3.010 8 0.18 5 9 3 41.00 2.201 8 0.120 4 0 14.00 6.324 2 0.69 4 2 4 29.78 3.000 8 0.09 12 0 2 41.17 2.193 4 0.292 0 2 14.34 6.175 4 0.17 9 1 1 29.90 2.988 8 1.1 4 0 6 41.38 2.182 4 0.200 2 2 14.63 6.055 4 0.10 7 1 3 29.97 2.981 8 0.66 12 4 0 41.58 2.172 4 0.122 4 0 15.40 5.755 4 1.2 2 4 4 30.22 2.958 8 0.18 0 4 6 41.81 2.160 4 0.133 3 1 15.60 5.679 8 0.22 4 8 0 31.08 2.877 4 0.15 8 6 4 42.74 2.115 8 0.115 1 1 17.58 5.045 8 0.46 7 3 3 31.63 2.828 8 0.13 6 10 2 42.80 2.113 8 0.274 0 2 18.14 4.891 4 8.5 1 7 3 31.66 2.826 8 0.25 0 12 0 42.90 2.108 2 0.291 5 1 18.95 4.682 8 8.1 2 8 2 31.79 2.815 8 0.23 13 1 1 43.02 2.102 8 0.094 4 0 18.99 4.674 4 3.2 8 4 2 32.17 2.783 8 1.3 5 11 1 43.08 2.100 8 0.186 0 0 19.19 4.625 2 1.3 10 0 0 32.26 2.775 2 0.11 7 5 5 43.80 2.067 8 0.314 2 2 19.46 4.562 8 0.18 4 4 4 32.26 2.775 8 0.16 6 0 6 43.99 2.058 4 0.691 1 3 19.89 4.464 8 2.8 10 2 0 33.05 2.711 4 0.32 7 9 3 44.14 2.052 8 0.182 4 2 20.10 4.418 8 0.67 0 6 4 33.58 2.669 4 0.36 9 1 5 44.20 2.049 8 0.206 2 0 20.44 4.344 4 0.31 3 9 1 33.96 2.640 8 0.29 8 10 0 44.32 2.044 4 0.323 5 1 21.02 4.225 8 8.9 3 1 5 34.10 2.629 8 0.25 12 6 0 44.69 2.028 4 0.110 6 0 21.07 4.216 2 0.28 7 7 1 34.20 2.622 8 0.10 11 5 3 44.72 2.027 8 0.513 1 3 21.87 4.063 8 0.48 1 3 5 34.36 2.610 8 0.19 0 6 6 44.91 2.018 4 0.172 6 0 22.03 4.034 4 4.3 7 5 3 34.74 2.582 8 0.80 7 11 1 46.10 1.969 8 0.134 4 2 22.99 3.869 8 1.2 9 1 3 35.22 2.548 8 0.11 1 9 5 46.23 1.964 8 0.206 0 2 23.15 3.841 4 5.7 10 4 0 35.32 2.541 4 0.23 8 10 2 46.33 1.960 8 0.157 1 1 23.61 3.768 8 0.22 0 10 0 35.49 2.530 2 1.4 1 1 7 46.34 1.959 8 0.096 4 0 23.83 3.733 4 0.34 8 6 2 35.97 2.497 8 0.42 4 10 4 46.40 1.957 8 0.235 5 1 24.67 3.609 8 5.8 4 6 4 36.05 2.491 8 0.26 12 6 2 46.69 1.945 8 0.124 6 0 24.71 3.603 4 1.2 2 10 0 36.09 2.489 4 0.86 13 1 3 47.07 1.931 8 0.430 6 2 24.75 3.597 4 0.15 11 1 1 36.38 2.470 8 0.16 5 11 3 47.12 1.929 8 0.145 1 3 25.40 3.506 8 1.5 5 1 5 36.55 2.458 8 0.25 10 6 4 47.25 1.924 8 0.082 6 2 25.58 3.482 8 0.32 8 0 4 36.75 2.445 4 0.26 1 13 1 47.29 1.922 8 0.147 3 1 25.66 3.472 8 0.35 1 5 5 37.27 2.413 8 0.46 8 0 6 47.45 1.916 4 0.338 0 0 25.68 3.469 2 2.7 8 2 4 37.46 2.401 8 0.13 9 5 5 47.75 1.905 8 0.271 7 1 25.68 3.468 8 1.2 10 4 2 37.73 2.384 8 0.59 14 4 0 48.10 1.891 4 0.130 0 4 25.84 3.448 2 1.8 5 3 5 37.96 2.371 8 0.08 10 10 0 48.71 1.870 4 0.661 5 3 26.39 3.377 8 1.5 3 5 5 38.42 2.343 8 1.0 6 10 4 48.80 1.866 8 0.312 0 4 26.64 3.346 4 7.9 8 8 0 38.52 2.337 4 0.29 11 9 1 48.96 1.860 8 0.158 2 0 26.65 3.345 4 0.21 3 9 3 38.79 2.321 8 0.10 5 1 7 49.20 1.852 8 0.270 2 4 26.80 3.327 4 0.61 10 6 0 38.85 2.318 4 0.24 12 4 4 49.60 1.838 8 0.113 7 1 27.27 3.270 8 0.14 9 7 1 38.95 2.312 8 0.10 9 11 1 49.91 1.827 8 0.102 2 4 27.57 3.235 8 0.33 2 8 4 39.20 2.298 8 0.26 7 11 3 49.95 1.826 8 0.15

IWV

ITQ

-27

504030201002 theta (°)

504846444240383634323028262422201816141210

86420

IWW ITQ-22

CHEMICAL COMPOSITION: [Si89.8Ge22.2O224]


CRYSTAL DATA: Pbam (No. 55)a = 42.1326 A b = 12.9885 A c = 12.6814 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: A. Corma, F. Rey, S. Valencia, J. L. Jorda and J. Rius,Nature Materials 2 493–497 (2003).


2 0 0 4.19 21.066 2 21.8 4 3 0 22.20 4.004 4 1.5 8 2 3 30.41 2.940 8 0.950 0 1 6.97 12.681 2 100.0 1 1 3 22.22 4.001 8 0.48 11 2 2 30.54 2.927 8 2.01 1 0 7.12 12.412 4 24.4 10 0 1 22.23 3.998 4 1.0 10 1 3 30.74 2.908 8 1.12 1 0 8.00 11.056 4 28.4 2 1 3 22.52 3.948 8 32.3 0 4 2 30.94 2.890 4 0.672 0 1 8.14 10.865 4 0.59 4 0 3 22.67 3.923 4 6.9 6 1 4 31.72 2.821 8 0.574 0 0 8.39 10.533 2 60.1 3 1 3 23.01 3.864 8 4.1 6 3 3 32.22 2.778 8 4.93 1 0 9.27 9.536 4 23.6 5 3 0 23.10 3.851 4 1.1 8 4 0 32.39 2.764 4 0.491 1 1 9.97 8.870 8 5.6 4 3 1 23.29 3.819 8 0.79 5 4 2 32.76 2.734 8 0.572 1 1 10.62 8.334 8 40.5 6 3 0 24.15 3.685 4 2.6 7 3 3 33.15 2.703 8 0.634 0 1 10.92 8.103 4 2.7 5 3 1 24.15 3.685 8 0.83 12 0 3 33.17 2.701 4 2.23 1 1 11.61 7.621 8 11.2 11 1 0 24.23 3.674 4 3.1 5 2 4 33.19 2.699 8 0.535 1 0 12.52 7.069 4 1.1 9 2 1 24.47 3.638 8 0.70 15 1 1 33.39 2.683 8 0.610 2 0 13.63 6.494 2 0.97 9 1 2 24.61 3.617 8 1.6 8 1 4 33.71 2.659 8 0.481 2 0 13.80 6.418 4 5.5 0 2 3 25.14 3.543 4 0.77 8 3 3 34.19 2.623 8 1.20 0 2 13.97 6.341 2 2.3 10 2 0 25.20 3.535 4 3.7 9 4 1 34.35 2.611 8 0.806 1 0 14.34 6.177 4 0.65 1 2 3 25.23 3.530 8 0.66 7 4 2 34.42 2.605 8 0.673 2 0 15.03 5.895 4 5.1 2 3 2 25.26 3.525 8 2.3 11 2 3 34.48 2.601 8 0.631 2 1 15.47 5.727 8 0.72 7 3 0 25.34 3.515 4 0.77 13 3 0 34.57 2.595 4 0.756 1 1 15.96 5.553 8 0.72 12 0 0 25.37 3.511 2 2.1 16 0 1 34.79 2.578 4 0.514 2 0 16.03 5.528 4 6.5 10 0 2 25.38 3.509 4 0.62 2 5 0 34.80 2.578 4 0.662 1 2 16.11 5.500 8 8.4 6 1 3 25.53 3.489 8 0.70 0 0 5 35.39 2.536 2 0.987 1 0 16.23 5.461 4 5.5 8 2 2 25.92 3.437 8 0.49 10 0 4 35.43 2.533 4 0.524 0 2 16.32 5.432 4 1.3 10 2 1 26.17 3.405 8 0.73 15 2 1 35.53 2.526 8 0.573 1 2 16.79 5.280 8 0.93 10 1 2 26.31 3.388 8 1.7 3 5 1 35.86 2.504 8 0.814 1 2 17.70 5.012 8 0.48 12 0 1 26.34 3.384 4 1.5 4 4 3 35.90 2.501 8 1.46 2 0 18.61 4.768 4 5.9 8 3 0 26.65 3.344 4 1.4 5 5 0 36.18 2.482 4 0.795 2 1 18.61 4.767 8 1.3 11 2 0 27.03 3.299 4 0.91 2 1 5 36.34 2.472 8 0.878 1 1 19.49 4.555 8 1.8 12 1 1 27.23 3.274 8 0.71 4 0 5 36.44 2.466 4 0.540 2 2 19.57 4.537 4 1.4 0 4 0 27.47 3.247 2 1.4 10 3 3 36.57 2.457 8 1.01 2 2 19.68 4.511 8 1.2 1 4 0 27.55 3.238 4 3.3 17 1 0 36.92 2.434 4 1.76 2 1 19.89 4.463 8 2.3 8 3 1 27.58 3.234 8 2.2 6 3 4 37.42 2.403 8 0.656 1 2 20.07 4.425 8 3.8 6 3 2 28.00 3.186 8 6.4 13 3 2 37.45 2.401 8 0.817 2 0 20.11 4.415 4 0.70 0 0 4 28.15 3.170 2 4.0 2 5 2 37.66 2.388 8 0.699 1 0 20.16 4.404 4 14.0 3 4 0 28.21 3.164 4 1.9 15 2 2 37.66 2.388 8 1.13 2 2 20.57 4.317 8 2.0 13 1 0 28.38 3.145 4 2.4 7 5 0 37.72 2.385 4 0.611 3 0 20.62 4.307 4 5.2 1 4 1 28.45 3.137 8 1.4 18 1 0 39.10 2.304 4 0.510 0 3 21.02 4.227 2 0.93 12 2 0 28.91 3.089 4 2.0 18 1 2 41.72 2.165 8 0.50

10 0 0 21.09 4.213 2 0.98 7 3 2 29.05 3.074 8 1.3 4 6 0 42.64 2.120 4 0.604 2 2 21.32 4.167 8 0.73 12 0 2 29.07 3.072 4 0.62 0 0 6 42.78 2.114 2 2.53 3 0 21.48 4.137 4 1.9 5 4 0 29.48 3.030 4 1.0 0 4 5 45.37 1.999 4 0.498 2 0 21.73 4.091 4 10.8 10 3 0 29.58 3.019 4 2.8 21 1 0 45.76 1.983 4 0.581 3 1 21.79 4.078 8 1.1 1 3 3 29.61 3.017 8 0.61 12 2 5 46.32 1.960 8 0.778 0 2 21.94 4.051 4 0.64 4 4 1 29.64 3.014 8 0.69 10 3 5 46.78 1.942 8 0.652 3 1 22.10 4.022 8 0.63 3 1 4 29.69 3.008 8 0.74 8 4 5 48.73 1.869 8 0.54

10 1 0 22.18 4.008 4 1.8 2 3 3 29.84 2.994 8 1.7 9 4 5 49.59 1.838 8 0.66

IWW

ITQ

-22

504030201002 theta (°)

60

50

40

30

20

10

0

JBW Nepheline Hydrate

CHEMICAL COMPOSITION: |Na3H2O| [Si3Al3O12]

REFINED COMPOSITION: |Na3H2O| [Si3Al3O12]

CRYSTAL DATA: Pmc21 (No. 26)a = 7.503 A b = 8.233 A c = 5.230 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: A. Rheinhardt, E. Hellner and H. Ahsbahs,Fortsch. der Mineralogie 60 175–176 (1982).


0 1 0 10.75 8.233 2 100.0 0 0 2 34.29 2.615 2 23.4 3 2 0 42.28 2.137 4 0.161 0 0 11.79 7.503 2 41.0 1 3 0 34.81 2.577 4 0.12 1 2 2 42.70 2.118 8 2.01 1 0 15.98 5.546 4 7.4 3 0 0 35.91 2.501 2 0.29 2 1 2 43.60 2.076 8 5.20 1 1 20.11 4.415 4 63.3 0 1 2 36.04 2.492 4 1.4 0 4 0 43.99 2.058 2 4.40 2 0 21.59 4.116 2 5.0 1 0 2 36.38 2.469 4 0.18 2 3 1 44.42 2.040 8 0.181 1 1 23.38 3.805 8 3.9 2 2 1 36.68 2.450 8 39.1 3 2 1 45.86 1.979 8 4.32 0 0 23.72 3.751 2 0.01 0 3 1 36.99 2.430 4 15.3 0 4 1 47.47 1.915 4 0.801 2 0 24.67 3.609 4 0.21 3 1 0 37.59 2.393 4 1.7 2 2 2 47.81 1.902 8 0.702 1 0 26.10 3.414 4 81.7 1 1 2 38.04 2.365 8 1.4 0 3 2 48.06 1.893 4 6.90 2 1 27.57 3.235 4 14.4 1 3 1 38.96 2.312 8 3.2 4 0 0 48.53 1.876 2 10.41 2 1 30.08 2.970 8 30.8 2 3 0 40.74 2.215 4 0.32 1 4 1 49.09 1.856 8 0.302 1 1 31.29 2.859 8 13.9 0 2 2 40.88 2.207 4 3.3 3 3 0 49.30 1.849 4 0.022 2 0 32.28 2.773 4 1.1 3 1 1 41.50 2.176 8 2.2 1 3 2 49.66 1.836 8 0.010 3 0 32.63 2.744 2 6.2 2 0 2 42.12 2.145 4 1.1 4 1 0 49.86 1.829 4 0.24

JBW

Nepheline

Hydrate

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

KFI (Cs,K) ZK5, Dehydrated

CHEMICAL COMPOSITION: |Cs9.7K13| [Si73.2Al22.8O192]

REFINED COMPOSITION: |Cs9.72K12.88| [Si72.96Al23.04O192]

CRYSTAL DATA: Im3m (No. 229)a = 18.671 A b = 18.671 A c = 18.671 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: J. B. Parise, R. D. Shannon, E. Prince and D. E. Cox,Z. Kristallogr. 165 175–190 (1983).


1 1 0 6.69 13.202 12 60.6 5 4 1 31.04 2.881 48 4.1 6 6 2 42.19 2.142 24 0.722 0 0 9.47 9.335 6 78.9 6 2 2 31.79 2.815 24 30.9 7 5 2 42.77 2.114 48 1.12 1 1 11.61 7.622 24 16.8 4 4 4 33.24 2.695 8 0.94 8 4 0 43.34 2.087 24 0.152 2 0 13.41 6.601 12 28.8 7 1 0 33.95 2.640 24 0.19 8 3 3 43.91 2.062 24 0.343 1 0 15.00 5.904 24 100.0 5 4 3 33.95 2.640 48 8.0 9 1 0 43.91 2.062 24 2.62 2 2 16.45 5.390 8 0.24 5 5 0 33.95 2.640 12 6.2 7 6 1 45.03 2.013 48 0.133 2 1 17.77 4.990 48 6.3 6 4 0 34.64 2.589 24 0.28 9 2 1 45.03 2.013 48 0.574 0 0 19.01 4.668 6 1.3 5 5 2 35.32 2.541 24 10.1 6 5 5 45.03 2.013 24 0.313 3 0 20.18 4.401 12 0.46 6 3 3 35.32 2.541 24 24.1 6 6 4 45.58 1.990 24 0.044 1 1 20.18 4.401 24 20.6 6 4 2 36.00 2.495 48 0.16 8 5 1 46.12 1.968 48 3.34 2 0 21.28 4.175 24 27.2 7 3 0 36.65 2.452 24 0.12 9 3 0 46.12 1.968 24 1.13 3 2 22.33 3.981 24 1.0 6 5 1 37.94 2.371 48 0.15 7 5 4 46.12 1.968 48 0.234 2 2 23.34 3.811 24 29.5 7 3 2 37.94 2.371 48 3.0 7 6 3 47.19 1.926 48 8.95 1 0 24.31 3.662 24 4.9 8 1 1 39.20 2.298 24 6.2 8 4 4 47.73 1.906 24 0.484 3 1 24.31 3.662 48 1.9 5 5 4 39.20 2.298 24 3.6 9 4 1 48.25 1.886 48 0.025 2 1 26.14 3.409 48 45.1 7 4 1 39.20 2.298 48 0.37 8 5 3 48.25 1.886 48 5.24 4 0 27.01 3.301 12 1.5 6 4 4 39.81 2.264 24 1.8 7 7 0 48.25 1.886 12 2.84 3 3 27.86 3.202 24 15.5 8 2 0 39.81 2.264 24 0.28 8 6 0 48.77 1.867 24 0.195 3 0 27.86 3.202 24 23.1 6 5 3 40.42 2.232 48 0.63 10 0 0 48.77 1.867 6 4.56 0 0 28.69 3.112 6 4.1 6 6 0 41.02 2.200 12 9.2 10 1 1 49.29 1.849 24 0.174 4 2 28.69 3.112 24 0.12 8 2 2 41.02 2.200 24 2.5 7 7 2 49.29 1.849 24 0.516 1 1 29.49 3.029 24 4.4 7 4 3 41.61 2.170 48 1.8 10 2 0 49.80 1.831 24 0.785 3 2 29.49 3.029 48 7.2 8 3 1 41.61 2.170 48 0.06 8 6 2 49.80 1.831 48 5.86 2 0 30.27 2.952 24 18.9 7 5 0 41.61 2.170 24 0.18

KFI

(Cs,K

)ZK

5,D

ehydrated

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

LAU Laumontite

CHEMICAL COMPOSITION: |Ca4(H2O)18| [Si16Al8O48]Nasik, India



X-ray Rietveld refinement, Rwp = 0.115, Rp = 0.090, RF2 = 0.046

REFERENCE: G. Artioli and K. Stahl,Zeolites 13 249–255 (1993).


1 1 0 9.24 9.570 4 100.0 -3 3 2 33.03 2.712 4 0.80 0 6 1 43.15 2.096 4 0.560 0 1 12.52 7.073 2 1.7 3 3 1 33.46 2.678 4 0.65 2 6 0 43.22 2.093 4 0.202 0 0 12.71 6.965 2 44.3 -5 1 2 34.03 2.635 4 0.15 -3 5 2 43.22 2.093 4 0.830 2 0 13.45 6.585 2 0.23 2 4 1 34.38 2.609 4 14.9 3 5 1 43.56 2.078 4 0.07

-1 1 1 13.68 6.474 4 4.1 1 5 0 34.66 2.588 4 0.31 -2 6 1 43.80 2.067 4 0.01-2 0 1 14.42 6.142 2 7.4 1 3 2 34.88 2.572 4 4.9 5 3 1 43.99 2.059 4 0.591 1 1 17.28 5.132 4 14.4 2 2 2 34.96 2.566 4 4.0 -6 0 3 44.24 2.047 2 0.480 2 1 18.41 4.819 4 0.11 4 2 1 35.19 2.551 4 0.22 -7 1 2 44.34 2.043 4 1.62 2 0 18.54 4.785 4 11.4 -2 0 3 35.72 2.514 2 4.5 4 2 2 44.56 2.033 4 3.5

-2 2 1 19.77 4.492 4 9.6 -1 5 1 36.18 2.483 4 2.4 2 0 3 44.65 2.029 2 2.4-3 1 1 20.05 4.428 4 0.74 -2 4 2 36.45 2.465 4 4.4 1 5 2 44.70 2.027 4 2.03 1 0 20.28 4.379 4 1.3 -5 3 1 36.55 2.458 4 3.1 6 0 1 45.14 2.009 2 0.982 0 1 20.78 4.275 2 10.7 -4 4 1 36.67 2.451 4 14.3 -2 4 3 45.39 1.998 4 0.621 3 0 21.22 4.187 4 34.4 -3 1 3 36.91 2.435 4 1.2 -5 3 3 45.81 1.981 4 0.56

-1 3 1 23.54 3.780 4 1.6 -1 1 3 37.03 2.428 4 0.16 -6 4 1 45.87 1.978 4 0.59-2 0 2 23.94 3.717 2 0.80 0 4 2 37.32 2.410 4 0.28 -5 5 1 46.08 1.970 4 5.6-4 0 1 24.25 3.670 2 29.6 3 1 2 37.56 2.394 4 0.22 1 3 3 46.12 1.968 4 0.79-1 1 2 24.67 3.609 4 0.36 4 4 0 37.60 2.392 4 4.5 7 1 0 46.13 1.968 4 0.212 2 1 24.83 3.586 4 15.4 1 5 1 37.78 2.381 4 2.5 -6 2 3 46.44 1.955 4 0.230 0 2 25.18 3.536 2 52.2 -4 0 3 37.94 2.372 2 2.1 2 6 1 46.51 1.953 4 0.994 0 0 25.58 3.482 2 0.03 0 0 3 38.17 2.358 2 0.30 2 2 3 46.85 1.939 4 1.71 3 1 25.83 3.449 4 8.4 5 3 0 38.26 2.352 4 0.37 -4 4 3 47.23 1.924 4 0.02

-3 1 2 26.72 3.337 4 26.3 -6 0 2 38.28 2.351 2 0.10 6 2 1 47.31 1.921 4 0.610 4 0 27.08 3.292 2 20.6 -2 2 3 38.32 2.349 4 3.8 0 4 3 47.43 1.917 4 0.063 1 1 27.24 3.274 4 2.6 6 0 0 38.79 2.322 2 0.22 5 5 0 47.51 1.914 4 0.36

-2 2 2 27.56 3.237 4 1.5 -5 3 2 39.29 2.293 4 1.2 -6 4 2 47.52 1.913 4 0.07-3 3 1 27.80 3.209 4 26.6 3 5 0 39.33 2.291 4 2.1 -7 3 1 47.70 1.907 4 0.91-4 2 1 27.83 3.206 4 1.0 -4 4 2 40.15 2.246 4 0.85 -2 6 2 48.14 1.890 4 1.83 3 0 27.97 3.190 4 5.7 -4 2 3 40.42 2.231 4 0.26 -4 6 1 48.32 1.884 4 0.070 2 2 28.65 3.115 4 2.0 0 2 3 40.65 2.220 4 0.02 -5 5 2 48.37 1.882 4 0.561 1 2 28.93 3.086 4 26.0 -6 2 2 40.75 2.214 4 6.5 -2 0 4 48.52 1.876 2 0.724 2 0 29.01 3.078 4 11.4 0 6 0 41.12 2.195 2 7.3 5 1 2 48.61 1.873 4 1.1

-4 0 2 29.08 3.071 2 2.4 6 2 0 41.23 2.189 4 8.6 -7 3 2 48.67 1.871 4 0.460 4 1 29.94 2.985 4 0.06 -5 1 3 41.25 2.189 4 0.07 -3 1 4 48.82 1.865 4 4.52 4 0 30.02 2.977 4 2.4 1 1 3 41.58 2.172 4 0.23 0 6 2 48.83 1.865 4 4.8

-2 4 1 30.81 2.902 4 0.40 -3 3 3 41.86 2.158 4 4.0 -4 0 4 49.01 1.859 2 0.59-5 1 1 30.89 2.895 4 22.4 -1 5 2 41.90 2.156 4 4.8 4 6 0 49.06 1.857 4 0.09-1 3 2 31.36 2.852 4 0.25 -1 3 3 41.97 2.153 4 2.8 -7 1 3 49.07 1.856 4 3.82 0 2 32.12 2.787 2 4.6 4 0 2 42.28 2.138 2 0.22 -8 0 1 49.37 1.846 2 0.50

-4 2 2 32.16 2.783 4 15.2 3 3 2 42.45 2.129 4 0.09 3 1 3 49.55 1.839 4 1.94 0 1 32.36 2.766 2 0.31 2 4 2 42.50 2.127 4 0.15 -8 0 2 49.69 1.835 2 0.105 1 0 32.86 2.726 4 0.46 4 4 1 42.69 2.118 4 3.3

LAU

Laum

ontite

504030201002 theta (°)

60

50

40

30

20

10

0

LAU Leonhardite

CHEMICAL COMPOSITION: |K0.1Na0.30Ca3.60(H2O)25.2| [Si16.40Al7.60O48]Teigahorn, Berufjordur, Iceland

REFINED COMPOSITION: |Ca4H25.184O13.36| [Si16.4Al7.6O48]


Neutron single crystal refinement, RF2 = 0.084; At T = 15K.

REFERENCE: G. Artioli, J. V. Smith and A. Kvick,Zeolites 9 377–391 (1989).


1 1 0 9.38 9.427 4 100.0 5 1 0 33.61 2.667 4 0.18 4 0 2 43.40 2.085 2 2.00 0 1 12.61 7.022 2 0.01 -5 1 2 33.95 2.641 4 3.5 0 6 1 43.53 2.079 4 0.212 0 0 13.00 6.810 2 53.7 3 3 1 34.15 2.625 4 3.0 4 4 1 43.56 2.078 4 0.360 2 0 13.56 6.530 2 1.4 2 4 1 34.90 2.571 4 15.7 2 6 0 43.65 2.073 4 1.1

-1 1 1 13.63 6.496 4 1.2 1 5 0 34.97 2.565 4 0.56 -7 1 1 43.93 2.061 4 0.07-2 0 1 14.33 6.182 2 17.7 1 3 2 35.33 2.540 4 5.7 -6 0 3 43.94 2.061 2 2.81 1 1 17.60 5.040 4 15.5 -2 0 3 35.58 2.523 2 6.2 -2 6 1 44.10 2.053 4 0.320 2 1 18.55 4.782 4 0.73 2 2 2 35.63 2.520 4 10.7 3 5 1 44.27 2.046 4 0.112 2 0 18.83 4.713 4 11.4 4 2 1 36.08 2.490 4 0.46 -7 1 2 44.52 2.035 4 2.4

-2 2 1 19.78 4.489 4 30.3 -1 5 1 36.43 2.466 4 2.6 5 3 1 45.06 2.012 4 0.12-3 1 1 20.08 4.422 4 1.7 -2 4 2 36.51 2.461 4 5.6 1 5 2 45.22 2.005 4 0.793 1 0 20.71 4.288 4 1.8 -3 1 3 36.65 2.452 4 0.58 -2 4 3 45.43 1.997 4 0.552 0 1 21.31 4.170 2 25.3 -5 3 1 36.91 2.435 4 2.7 2 0 3 45.45 1.996 2 4.11 3 0 21.43 4.147 4 57.3 -4 4 1 36.95 2.433 4 19.6 -5 3 3 45.58 1.990 4 0.29

-1 3 1 23.64 3.764 4 5.3 -1 1 3 37.10 2.423 4 0.22 4 2 2 45.68 1.986 4 3.8-2 0 2 23.76 3.744 2 0.88 -4 0 3 37.60 2.392 2 1.9 -6 2 3 46.20 1.965 4 0.75-4 0 1 24.41 3.647 2 35.6 0 4 2 37.62 2.391 4 1.4 -6 4 1 46.40 1.957 4 3.3-1 1 2 24.66 3.611 4 1.3 4 4 0 38.19 2.357 4 5.0 6 0 1 46.42 1.956 2 3.62 2 1 25.34 3.514 4 20.4 1 5 1 38.19 2.357 4 4.7 -5 5 1 46.52 1.952 4 7.40 0 2 25.37 3.511 2 77.0 -2 2 3 38.24 2.354 4 3.9 1 3 3 46.69 1.946 4 3.54 0 0 26.17 3.405 2 1.3 0 0 3 38.46 2.341 2 0.06 -4 4 3 47.09 1.930 4 0.141 3 1 26.17 3.405 4 15.2 3 1 2 38.46 2.341 4 0.51 2 6 1 47.09 1.930 4 0.77

-3 1 2 26.51 3.362 4 28.2 5 3 0 39.00 2.309 4 0.75 7 1 0 47.23 1.924 4 0.090 4 0 27.31 3.265 2 29.7 -5 3 2 39.30 2.292 4 0.50 2 2 3 47.65 1.908 4 3.3

-2 2 2 27.46 3.248 4 0.87 -6 2 1 39.35 2.289 4 0.04 -6 4 2 47.69 1.907 4 0.05-3 3 1 27.94 3.194 4 16.2 6 0 0 39.71 2.270 2 1.6 0 4 3 47.81 1.902 4 0.133 1 1 27.96 3.192 4 1.3 3 5 0 39.81 2.264 4 6.0 5 5 0 48.27 1.885 4 1.6

-4 2 1 28.02 3.184 4 0.05 -4 2 3 40.14 2.246 4 0.35 -7 3 1 48.36 1.882 4 0.873 3 0 28.40 3.142 4 12.7 -4 4 2 40.17 2.245 4 0.51 -2 6 2 48.37 1.882 4 3.20 2 2 28.87 3.092 4 2.6 -6 2 2 40.82 2.211 4 11.0 -2 0 4 48.45 1.879 2 0.04

-4 0 2 28.89 3.091 2 3.9 -5 1 3 40.92 2.205 4 0.11 -5 5 2 48.52 1.876 4 0.531 1 2 29.36 3.042 4 16.9 0 2 3 40.96 2.203 4 0.57 -3 1 4 48.59 1.874 4 6.04 2 0 29.59 3.019 4 16.5 0 6 0 41.48 2.177 2 5.9 6 2 1 48.59 1.874 4 0.322 4 0 30.36 2.944 4 1.5 -3 3 3 41.71 2.165 4 8.3 -4 0 4 48.64 1.872 2 0.53

-2 4 1 30.97 2.887 4 0.05 -1 3 3 42.11 2.146 4 0.50 -4 6 1 48.72 1.869 4 0.55-5 1 1 31.21 2.866 4 20.0 1 1 3 42.12 2.145 4 1.2 6 4 0 48.86 1.864 4 0.64-1 3 2 31.45 2.844 4 0.85 -1 5 2 42.13 2.145 4 3.5 -7 1 3 48.87 1.863 4 3.4-4 2 2 32.04 2.794 4 18.4 6 2 0 42.15 2.144 4 10.1 -7 3 2 48.91 1.862 4 0.252 0 2 32.79 2.731 2 0.85 2 4 2 43.18 2.095 4 1.1 0 6 2 49.25 1.850 4 11.5

-3 3 2 32.96 2.718 4 0.64 -3 5 2 43.31 2.089 4 3.0 1 7 0 49.29 1.849 4 0.434 0 1 33.27 2.693 2 0.25 3 3 2 43.34 2.088 4 1.7 5 1 2 49.96 1.825 4 2.5

LAU

Leonhardite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

LAU Cobalt Gallophosphate

CHEMICAL COMPOSITION: |(C5H5NH)8| [Co8Ga16P24O96]C5H5NH = pyridinium cation

REFINED COMPOSITION: |(C5H6N)8| [Co8Ga16P24O96]


REFERENCE: A. M. Chippindale and R. I. Walton,J. Chem. Soc., Chem. Commun. 2453–2454 (1994).


1 1 0 9.23 9.584 4 100.0 -4 2 4 31.50 2.840 4 4.6 -7 1 2 42.82 2.112 4 0.761 1 1 12.43 7.121 4 0.74 2 0 4 32.44 2.760 2 0.99 -2 6 1 42.86 2.110 4 0.682 0 0 12.70 6.971 2 5.6 2 4 2 34.48 2.601 4 15.5 2 6 0 43.13 2.098 4 0.550 2 0 13.42 6.599 2 4.5 0 2 5 34.50 2.599 4 0.68 -1 1 7 43.31 2.089 4 0.43

-1 1 2 13.49 6.562 4 5.1 1 3 4 35.00 2.564 4 9.2 -2 6 2 43.59 2.076 4 1.5-2 0 2 14.07 6.293 2 17.2 2 2 4 35.25 2.546 4 0.36 3 5 2 43.68 2.072 4 1.21 1 2 17.41 5.093 4 15.1 -2 0 6 35.29 2.543 2 6.0 3 1 5 43.85 2.065 4 0.382 2 0 18.51 4.792 4 0.71 1 5 1 35.63 2.520 4 0.37 -2 2 7 43.88 2.063 4 0.62

-2 2 2 19.49 4.554 4 26.6 5 1 1 35.75 2.512 4 0.95 -7 1 1 43.99 2.058 4 0.53-3 1 2 19.66 4.515 4 5.1 -6 0 2 35.83 2.506 2 1.6 6 2 1 44.00 2.058 4 0.633 1 0 20.26 4.383 4 3.9 -1 5 2 36.04 2.492 4 1.8 -5 3 6 44.90 2.019 4 0.702 0 2 21.01 4.229 2 12.6 -2 4 4 36.13 2.486 4 0.79 -2 4 6 45.01 2.014 4 0.902 2 1 21.06 4.218 4 3.0 -5 3 2 36.15 2.485 4 5.8 2 0 6 45.02 2.014 2 1.61 3 0 21.18 4.195 4 45.4 -1 3 5 36.23 2.479 4 1.8 4 2 4 45.02 2.014 4 1.5

-1 3 1 21.40 4.153 4 2.4 -3 1 6 36.28 2.476 4 1.4 -7 1 5 45.22 2.005 4 0.88-3 1 3 22.23 3.998 4 2.2 -4 4 2 36.33 2.473 4 8.2 6 0 2 45.46 1.995 2 2.8-2 2 3 22.77 3.906 4 4.4 -5 1 5 36.33 2.473 4 1.1 -5 5 2 45.71 1.985 4 1.81 3 1 22.79 3.903 4 1.2 -4 4 1 36.37 2.470 4 1.2 7 1 0 46.09 1.969 4 1.21 1 3 23.09 3.852 4 0.70 -5 3 1 36.63 2.453 4 0.47 -5 5 1 46.10 1.969 4 0.480 2 3 23.19 3.836 4 1.4 -4 0 6 37.11 2.423 2 4.1 -6 4 1 46.21 1.965 4 0.783 1 1 23.29 3.820 4 3.8 0 4 4 37.28 2.412 4 0.46 -4 4 6 46.50 1.953 4 1.2

-2 0 4 23.53 3.782 2 0.91 -6 0 4 37.43 2.403 2 0.39 2 6 2 46.54 1.951 4 1.7-4 0 2 23.82 3.736 2 29.2 1 5 2 37.78 2.381 4 5.1 -6 4 4 46.77 1.942 4 0.85-1 1 4 24.47 3.638 4 0.45 -2 2 6 37.91 2.373 4 2.4 4 4 3 46.78 1.942 4 0.942 2 2 25.01 3.560 4 16.1 3 1 4 37.97 2.370 4 0.99 2 2 6 47.19 1.926 4 1.90 0 4 25.19 3.535 2 62.9 -5 3 4 38.58 2.333 4 0.36 -7 3 2 47.24 1.924 4 0.371 3 2 25.90 3.440 4 1.8 -3 5 2 38.93 2.313 4 0.85 5 5 0 47.43 1.917 4 0.37

-3 1 4 26.14 3.409 4 10.5 5 1 2 39.56 2.278 4 2.0 -7 3 4 47.82 1.902 4 1.40 4 0 27.03 3.299 2 23.7 -4 4 4 39.58 2.277 4 2.1 -2 6 4 47.84 1.901 4 1.2

-2 2 4 27.18 3.281 4 2.8 -6 2 4 39.93 2.258 4 1.9 -7 1 6 47.86 1.900 4 0.44-4 2 1 27.48 3.245 4 0.40 4 2 3 39.94 2.257 4 0.70 6 4 0 47.88 1.900 4 2.9-3 3 2 27.49 3.245 4 4.0 -5 1 6 40.27 2.239 4 3.7 -4 6 1 48.03 1.894 4 0.810 4 1 27.77 3.213 4 3.1 3 5 1 41.00 2.201 4 0.97 -2 0 8 48.09 1.892 2 0.613 3 0 27.93 3.195 4 9.6 0 6 0 41.03 2.199 2 0.99 -3 1 8 48.16 1.889 4 2.5

-4 0 4 28.36 3.147 2 1.6 6 2 0 41.19 2.192 4 1.3 1 1 7 48.40 1.881 4 0.960 2 4 28.65 3.116 4 1.7 -3 3 6 41.27 2.187 4 1.7 5 3 3 48.40 1.880 4 0.634 2 0 28.97 3.082 4 7.0 0 6 1 41.55 2.173 4 0.41 0 6 4 48.76 1.868 4 1.01 1 4 29.10 3.068 4 7.8 -1 5 4 41.72 2.165 4 1.4 -1 7 1 48.85 1.864 4 0.71

-3 3 3 29.42 3.036 4 0.36 -1 3 6 41.77 2.162 4 0.89 -8 0 2 48.87 1.864 2 0.480 4 2 29.88 2.990 4 0.47 1 1 6 41.78 2.162 4 0.37 4 6 0 48.97 1.860 4 0.352 4 0 29.96 2.982 4 2.6 0 4 5 42.08 2.147 4 1.3 5 1 4 49.15 1.854 4 0.383 3 1 30.24 2.956 4 0.94 -4 4 5 42.65 2.120 4 0.38 -5 3 7 49.16 1.853 4 0.50

-5 1 2 30.45 2.936 4 28.1 4 0 4 42.76 2.114 2 2.4 2 6 3 49.53 1.840 4 0.59-5 1 1 31.00 2.884 4 0.47 -3 5 4 42.78 2.114 4 5.5 1 7 1 49.54 1.840 4 0.37-1 3 4 31.18 2.869 4 1.4 3 3 4 42.80 2.113 4 1.6 -1 7 2 49.85 1.829 4 1.0

LAU

Cobalt

Gallophosphate

504030201002 theta (°)

70

60

50

40

30

20

10

0

LEV Levyne

CHEMICAL COMPOSITION: |Ca8.19Na1.95K0.6(H2O)50| [Si35Al19O108]Nurri, Nuoro, Sardinia, Italy

REFINED COMPOSITION: |Ca7.8Na2.16K0.72(H2O)46.08| [Si35.1Al18.9O108]



REFERENCE: S. Merlino, E. Galli and A. Alberti,Tschermaks Mineral. Petrogr. Mitt. 22 117–129 (1975).


1 0 1 8.56 10.324 6 73.2 1 3 4 31.97 2.799 12 0.79 0 3 9 42.43 2.130 6 3.20 1 2 10.85 8.152 6 83.0 0 1 8 32.06 2.791 6 0.01 4 1 6 42.93 2.107 12 1.10 0 3 11.53 7.671 2 41.1 0 3 6 32.96 2.717 6 2.6 1 4 6 42.93 2.107 12 0.931 1 0 13.28 6.669 6 13.2 3 0 6 32.96 2.717 6 2.5 5 1 1 43.81 2.066 12 1.50 2 1 15.82 5.602 6 0.20 3 1 5 34.10 2.629 12 7.6 5 0 5 43.85 2.065 6 2.02 0 2 17.18 5.162 6 36.4 2 1 7 34.14 2.626 12 33.9 3 2 7 43.88 2.063 12 2.51 0 4 17.22 5.150 6 0.02 2 3 2 34.74 2.582 12 5.3 0 1 11 43.98 2.059 6 0.011 1 3 17.62 5.033 12 5.1 0 0 9 35.09 2.557 2 1.4 1 5 2 44.37 2.042 12 0.612 1 1 20.71 4.289 12 4.0 4 1 0 35.62 2.521 12 17.0 2 4 4 44.38 2.041 12 1.60 1 5 20.77 4.276 6 41.6 2 2 6 35.68 2.517 12 0.99 0 4 8 44.45 2.038 6 0.171 2 2 21.77 4.082 12 100.0 0 4 5 36.74 2.446 6 3.2 2 1 10 44.50 2.036 12 0.890 2 4 21.80 4.076 6 6.3 3 2 4 37.36 2.407 12 4.0 4 2 5 46.01 1.972 12 0.883 0 0 23.10 3.850 6 23.1 1 2 8 37.44 2.402 12 5.0 2 0 11 46.15 1.967 6 1.40 0 6 23.19 3.836 2 8.9 1 4 3 37.56 2.395 12 1.7 5 1 4 46.53 1.952 12 3.62 0 5 24.73 3.600 6 6.9 4 1 3 37.56 2.395 12 7.0 2 3 8 46.60 1.949 12 2.52 1 4 25.61 3.478 12 20.7 0 5 1 39.19 2.299 6 0.59 6 0 0 47.21 1.925 6 0.263 0 3 25.89 3.441 6 4.9 2 3 5 39.23 2.297 12 1.8 3 3 6 47.26 1.923 12 0.190 3 3 25.89 3.441 6 1.9 1 3 7 39.26 2.294 12 4.5 0 0 12 47.40 1.918 2 3.32 2 0 26.73 3.334 6 11.4 1 0 10 39.94 2.257 6 2.0 0 5 7 48.14 1.890 6 4.41 1 6 26.81 3.325 12 3.3 3 3 0 40.58 2.223 6 8.4 1 2 11 48.23 1.887 12 0.291 3 1 28.12 3.173 12 0.18 2 4 1 41.55 2.173 12 1.2 3 4 2 48.59 1.874 12 1.21 2 5 28.17 3.168 12 26.8 4 0 7 41.62 2.170 6 0.29 1 3 10 48.72 1.869 12 2.51 0 7 28.22 3.162 6 23.4 4 2 2 42.13 2.145 12 1.1 0 6 3 48.77 1.867 6 0.103 1 2 28.93 3.086 12 15.6 0 5 4 42.15 2.144 6 2.1 6 0 3 48.77 1.867 6 0.282 2 3 29.20 3.058 12 0.15 3 1 8 42.22 2.140 12 0.02 5 2 0 49.26 1.850 12 2.24 0 1 31.22 2.865 6 10.4 0 2 10 42.27 2.138 6 3.5 1 1 12 49.45 1.843 12 2.40 2 7 31.31 2.857 6 11.1 3 3 3 42.33 2.135 12 3.80 4 2 31.95 2.801 6 68.3 3 0 9 42.43 2.130 6 0.87

LEV

Levyne

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

LEV 1-aminoadamantane NU-3

CHEMICAL COMPOSITION: |(C10H15NH2)6| [Si54O108]C10H15NH2 = 1-aminoadamantane

REFINED COMPOSITION: |(C10N)6| [Si54O108]



REFERENCE: L. B. McCusker,Mat. Sci. Forum Vol. 133-136 423–434 (1993).And L. B. McCusker, Private communication (1995).


0 0 1 3.96 22.292 2 10.1 2 2 2 28.15 3.170 12 0.61 3 2 4 37.85 2.377 12 0.911 0 0 7.72 11.453 6 2.2 1 3 1 28.38 3.145 12 3.6 1 4 3 37.98 2.369 12 0.160 0 2 7.93 11.146 2 2.4 2 1 5 28.74 3.106 12 0.12 4 1 3 37.98 2.369 12 1.11 0 1 8.68 10.187 6 7.2 1 2 5 28.74 3.106 12 26.9 1 1 9 38.82 2.319 12 0.160 1 1 8.68 10.187 6 1.7 1 0 7 29.10 3.068 6 29.6 2 2 7 39.28 2.294 12 0.220 1 2 11.08 7.988 6 63.9 0 1 7 29.10 3.068 6 0.08 0 5 1 39.55 2.279 6 3.21 0 2 11.08 7.988 6 0.98 3 1 2 29.23 3.055 12 7.9 4 0 6 39.74 2.268 6 0.110 0 3 11.91 7.431 2 2.8 2 2 3 29.57 3.021 12 0.61 0 4 6 39.74 2.268 6 0.111 1 0 13.39 6.613 6 23.4 4 0 0 31.24 2.863 6 0.22 3 2 5 39.82 2.264 12 0.081 0 3 14.21 6.234 6 0.55 2 2 4 31.46 2.844 12 0.44 2 3 5 39.82 2.264 12 0.220 1 3 14.21 6.234 6 0.55 0 4 1 31.50 2.840 6 0.22 3 3 0 40.94 2.204 6 0.900 0 4 15.90 5.573 2 0.49 4 0 1 31.50 2.840 6 0.28 1 0 10 41.26 2.188 6 0.770 2 1 15.98 5.547 6 4.5 1 2 6 31.74 2.819 12 0.09 2 3 6 42.12 2.145 12 0.072 0 2 17.41 5.094 6 59.6 2 1 6 31.74 2.819 12 0.09 3 2 6 42.12 2.145 12 0.070 1 4 17.70 5.011 6 0.32 0 0 8 32.12 2.786 2 0.07 2 2 8 42.42 2.131 12 0.171 0 4 17.70 5.011 6 9.5 0 2 7 32.16 2.783 6 4.2 0 4 7 42.45 2.129 6 0.091 1 3 17.96 4.940 12 11.5 0 4 2 32.28 2.773 6 51.1 4 0 7 42.45 2.129 6 3.90 0 5 19.91 4.458 2 0.27 4 0 2 32.28 2.773 6 0.20 4 2 2 42.55 2.125 12 0.102 1 0 20.52 4.329 12 0.32 1 3 4 32.44 2.760 12 1.5 0 5 4 42.68 2.119 6 3.61 2 1 20.90 4.250 12 0.31 0 1 8 33.09 2.707 6 0.49 3 3 3 42.79 2.113 12 2.32 1 1 20.90 4.250 12 9.4 0 4 3 33.54 2.672 6 0.18 0 3 9 43.56 2.078 6 2.81 0 5 21.39 4.155 6 0.19 4 0 3 33.54 2.672 6 0.18 3 0 9 43.56 2.078 6 0.880 1 5 21.39 4.155 6 56.1 0 3 6 33.66 2.663 6 0.24 0 2 10 43.57 2.077 6 0.622 1 2 22.03 4.035 12 0.27 2 2 5 33.75 2.656 12 0.36 5 1 1 44.22 2.048 12 0.151 2 2 22.03 4.035 12 100.0 3 2 0 34.12 2.628 12 0.13 5 0 5 44.46 2.037 6 1.10 2 4 22.26 3.994 6 0.36 2 3 1 34.37 2.609 12 0.12 3 2 7 44.71 2.027 12 0.303 0 0 23.30 3.818 6 13.1 3 1 5 34.67 2.587 12 1.2 1 5 2 44.80 2.023 12 0.310 3 1 23.64 3.763 6 0.08 2 1 7 34.98 2.565 12 8.8 2 4 4 44.93 2.018 12 0.513 0 1 23.64 3.763 6 0.08 1 2 7 34.98 2.565 12 0.07 4 0 8 45.42 1.997 6 0.072 1 3 23.79 3.740 12 0.21 3 2 2 35.09 2.557 12 0.12 0 4 8 45.42 1.997 6 0.501 2 3 23.79 3.740 12 0.21 2 3 2 35.09 2.557 12 2.3 0 1 11 45.45 1.996 6 0.100 0 6 23.95 3.715 2 2.7 0 4 4 35.24 2.547 6 0.15 2 2 9 45.77 1.982 12 0.843 0 2 24.65 3.612 6 0.07 4 0 4 35.24 2.547 6 3.2 2 1 10 45.78 1.982 12 0.730 3 2 24.65 3.612 6 0.07 2 0 8 35.84 2.506 6 0.12 4 2 5 46.65 1.947 12 0.410 1 6 25.20 3.534 6 0.12 4 1 0 35.93 2.499 12 4.4 5 1 4 47.09 1.930 12 0.611 0 6 25.20 3.534 6 0.12 4 1 1 36.16 2.484 12 0.08 2 0 11 47.60 1.910 6 0.332 0 5 25.32 3.518 6 5.0 1 4 1 36.16 2.484 12 0.08 6 0 0 47.64 1.909 6 1.41 2 4 26.06 3.419 12 0.17 3 2 3 36.26 2.477 12 0.10 3 3 6 47.99 1.896 12 0.562 1 4 26.06 3.419 12 2.1 2 3 3 36.26 2.477 12 0.10 1 5 5 48.75 1.868 12 0.880 3 3 26.24 3.396 6 1.1 0 0 9 36.27 2.477 2 0.33 0 5 7 48.98 1.860 6 8.53 0 3 26.24 3.396 6 0.09 1 4 2 36.86 2.439 12 0.07 0 0 12 49.04 1.858 2 6.62 2 0 26.97 3.306 6 26.3 4 1 2 36.86 2.439 12 0.07 3 4 2 49.07 1.857 12 2.92 2 1 27.27 3.270 12 0.67 0 4 5 37.32 2.409 6 0.31 0 6 3 49.29 1.849 6 0.471 1 6 27.54 3.239 12 1.5 4 0 5 37.32 2.409 6 0.13 2 2 10 49.30 1.848 12 0.110 0 7 28.02 3.185 2 0.11 2 3 4 37.85 2.377 12 0.09 5 2 0 49.71 1.834 12 6.4

LEV

1-aminoadam

antaneN

U-3

504030201002 theta (°)

70

60

50

40

30

20

10

0

LIO Liottite

CHEMICAL COMPOSITION: |Na9.96(K,Ca)8.04Ca6(SO4)5Cl3.5F0.5| [Si18Al18O72]Pitigliano, Tuscany, Italy

REFINED COMPOSITION: |K13.788Ca6(SO4)5Cl3.5F0.5| [Si18Al18O72]



REFERENCE: P. Ballirano, S. Merlino and E. Bonaccorsi,Canadian Mineralogist 34 1021–1030 (1996).


0 0 1 5.49 16.096 2 0.77 3 0 4 32.81 2.730 12 3.6 4 0 5 42.93 2.107 12 1.71 0 0 7.93 11.146 6 5.5 0 0 6 33.40 2.683 2 35.5 4 2 0 42.94 2.106 6 2.21 0 1 9.65 9.163 12 4.8 3 1 3 33.45 2.679 12 8.6 2 4 0 42.94 2.106 6 2.31 0 2 13.57 6.525 12 5.7 1 3 3 33.45 2.679 12 6.1 4 2 1 43.32 2.089 12 0.041 1 0 13.76 6.435 6 0.45 4 0 2 34.05 2.633 12 9.2 2 4 1 43.32 2.089 12 0.051 1 1 14.83 5.975 12 0.70 1 0 6 34.38 2.608 12 3.0 3 3 2 43.67 2.073 12 0.052 0 0 15.90 5.573 6 1.2 1 2 5 35.08 2.558 12 0.15 2 2 6 43.94 2.060 12 9.10 0 3 16.52 5.365 2 4.9 2 1 5 35.08 2.558 12 0.19 5 0 3 43.99 2.059 12 0.102 0 1 16.84 5.266 12 1.2 3 2 0 35.09 2.557 6 0.30 2 4 2 44.46 2.038 12 0.061 1 2 17.65 5.026 12 0.25 2 3 0 35.09 2.557 6 0.20 4 2 2 44.46 2.038 12 0.091 0 3 18.35 4.834 12 48.7 3 2 1 35.55 2.525 12 0.06 3 1 6 44.73 2.026 12 0.032 0 2 19.37 4.582 12 0.54 2 3 1 35.55 2.525 12 0.08 1 3 6 44.73 2.026 12 0.231 2 0 21.09 4.213 6 3.1 1 1 6 36.28 2.476 12 0.28 1 2 7 44.91 2.018 12 1.02 1 0 21.09 4.213 6 0.71 4 0 3 36.33 2.473 12 22.8 2 1 7 44.91 2.018 12 0.951 1 3 21.56 4.121 12 3.5 3 1 4 36.66 2.451 12 3.7 0 0 8 45.06 2.012 2 0.411 2 1 21.81 4.075 12 1.6 1 3 4 36.66 2.451 12 3.7 3 2 5 45.29 2.002 12 0.632 1 1 21.81 4.075 12 1.8 3 2 2 36.88 2.437 12 0.05 2 3 5 45.29 2.002 12 0.650 0 4 22.09 4.024 2 0.08 2 3 2 36.88 2.437 12 0.07 1 5 0 45.30 2.002 6 1.22 0 3 23.01 3.865 12 0.28 3 0 5 36.95 2.433 12 2.1 5 1 0 45.30 2.002 6 1.21 0 4 23.50 3.785 12 23.5 4 1 0 36.96 2.432 6 3.0 3 3 3 45.54 1.992 12 1.11 2 2 23.84 3.732 12 3.1 1 4 0 36.96 2.432 6 2.6 5 1 1 45.67 1.987 12 0.082 1 2 23.84 3.732 12 2.9 2 0 6 37.20 2.417 12 2.2 1 5 1 45.67 1.987 12 0.083 0 0 23.95 3.715 6 100.0 4 1 1 37.39 2.405 12 0.18 1 0 8 45.83 1.980 12 0.373 0 1 24.59 3.620 12 0.95 1 4 1 37.39 2.405 12 0.18 4 2 3 46.31 1.961 12 1.83 0 2 26.42 3.373 12 3.3 1 4 2 38.67 2.328 12 0.27 2 4 3 46.31 1.961 12 2.22 1 3 26.91 3.313 12 58.6 4 1 2 38.67 2.328 12 0.28 3 0 7 46.44 1.955 12 0.071 2 3 26.91 3.313 12 58.7 2 3 3 39.02 2.308 12 0.06 5 0 4 46.57 1.950 12 0.432 0 4 27.34 3.262 12 2.6 0 0 7 39.18 2.299 2 0.18 1 5 2 46.76 1.943 12 0.040 0 5 27.71 3.219 2 0.25 4 0 4 39.33 2.291 12 5.0 4 1 5 46.81 1.941 12 0.182 2 0 27.73 3.217 6 4.0 2 2 5 39.60 2.276 12 0.17 1 4 5 46.81 1.941 12 0.331 0 5 28.87 3.093 12 2.5 1 2 6 39.84 2.263 12 0.52 4 0 6 47.02 1.933 12 14.61 3 0 28.88 3.091 6 0.18 2 1 6 39.84 2.263 12 0.50 1 1 8 47.34 1.920 12 0.373 1 0 28.88 3.091 6 0.63 1 0 7 40.04 2.252 12 0.15 2 0 8 48.08 1.892 12 0.123 0 3 29.24 3.054 12 2.8 1 3 5 40.45 2.230 12 1.2 5 1 3 48.54 1.876 12 3.31 3 1 29.42 3.036 12 3.6 3 1 5 40.45 2.230 12 1.1 1 5 3 48.54 1.876 12 3.33 1 1 29.42 3.036 12 3.4 5 0 0 40.46 2.229 6 1.7 2 2 7 48.67 1.871 12 0.052 2 2 29.91 2.988 12 0.11 4 1 3 40.73 2.215 12 0.09 2 4 4 48.80 1.866 12 0.052 1 4 30.73 2.910 12 0.05 1 4 3 40.73 2.215 12 0.14 4 2 4 48.80 1.866 12 0.033 1 2 30.99 2.886 12 4.4 5 0 1 40.87 2.208 12 0.39 6 0 0 49.04 1.858 6 1.81 3 2 30.99 2.886 12 4.5 3 0 6 41.52 2.175 12 3.8 2 3 6 49.23 1.851 12 0.181 1 5 31.06 2.879 12 0.04 3 2 4 41.86 2.158 12 0.29 6 0 1 49.38 1.845 12 0.652 0 5 32.11 2.788 12 0.10 2 3 4 41.86 2.158 12 0.30 1 3 7 49.40 1.845 12 0.304 0 0 32.12 2.786 6 14.6 5 0 2 42.06 2.148 12 0.15 3 1 7 49.40 1.845 12 0.342 2 3 32.45 2.759 12 6.0 3 3 0 42.13 2.145 6 31.1 5 0 5 49.75 1.833 12 0.204 0 1 32.61 2.746 12 9.8 2 0 7 42.53 2.126 12 0.37 3 4 0 49.76 1.832 6 0.58

LIO

Liottite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

-LIT Lithosite

CHEMICAL COMPOSITION: |K12| [H4Al8Si16O52]Khibiny Massif, Kola Peninsula, Russia

REFINED COMPOSITION: |K12| [Al8Si16O52]


X-ray Rietveld refinement, Raniso = 0.064

REFERENCE: Z. V. Pudovkina, L. P. Soloveva and Y. A. Pyatenko,Sov. Phys. Dokl. 31 941–942 (1986).


1 1 0 10.42 8.488 4 12.5 -4 2 1 31.14 2.872 4 1.5 -1 3 3 42.04 2.149 4 1.72 0 0 11.65 7.598 2 2.3 4 2 1 31.22 2.864 4 1.9 1 3 3 42.09 2.147 4 1.72 1 0 14.52 6.100 4 0.72 -4 0 2 31.61 2.830 2 6.0 -6 1 2 42.46 2.129 4 0.76

-1 1 1 14.78 5.992 4 2.2 3 3 0 31.62 2.829 4 53.0 7 1 0 42.57 2.124 4 4.31 1 1 14.83 5.974 4 2.5 4 0 2 31.79 2.815 2 6.3 4 4 0 42.60 2.122 4 7.9

-2 0 1 15.65 5.661 2 3.2 -5 1 1 32.46 2.758 4 7.3 6 1 2 42.66 2.119 4 0.782 0 1 15.74 5.630 2 3.9 5 1 1 32.57 2.749 4 8.2 0 0 4 42.89 2.109 2 31.20 2 0 17.33 5.116 2 15.2 -4 1 2 32.83 2.728 4 5.4 -2 3 3 43.32 2.089 4 0.90

-2 1 1 17.91 4.953 4 11.9 4 1 2 33.00 2.714 4 6.9 2 3 3 43.42 2.084 4 1.12 1 1 17.98 4.933 4 3.8 0 1 3 33.04 2.711 4 8.6 -4 2 3 43.69 2.072 4 10.83 1 0 19.55 4.540 4 25.8 -3 3 1 33.37 2.685 4 1.1 4 2 3 43.89 2.063 4 9.52 2 0 20.93 4.244 4 3.9 3 3 1 33.43 2.680 4 0.67 -7 1 1 43.91 2.062 4 5.50 0 2 21.06 4.217 2 40.8 -1 1 3 33.55 2.671 4 4.7 7 1 1 44.02 2.057 4 6.0

-1 2 1 21.12 4.207 4 0.47 1 1 3 33.61 2.667 4 4.9 5 1 3 44.92 2.018 4 0.471 2 1 21.15 4.201 4 3.0 -2 0 3 33.94 2.642 2 3.8 -6 2 2 45.28 2.003 4 0.564 0 0 23.41 3.799 2 0.56 2 0 3 34.06 2.632 2 4.5 7 2 0 45.38 1.999 4 10.9

-2 2 1 23.44 3.796 4 5.0 -1 3 2 34.30 2.614 4 1.1 -3 3 3 45.41 1.997 4 2.12 2 1 23.49 3.787 4 2.9 5 2 0 34.32 2.613 4 9.6 -2 1 4 45.45 1.996 4 0.71

-1 1 2 23.53 3.781 4 2.8 1 3 2 34.34 2.611 4 1.1 3 3 3 45.55 1.991 4 1.51 1 2 23.58 3.772 4 2.2 0 4 0 35.08 2.558 2 1.1 2 1 4 45.58 1.990 4 0.85

-2 0 2 24.08 3.696 2 1.6 -2 1 3 35.08 2.558 4 8.5 0 5 1 45.61 1.989 4 9.03 2 0 24.73 3.600 4 5.2 2 1 3 35.20 2.549 4 7.5 -6 3 1 45.86 1.979 4 3.24 1 0 25.00 3.562 4 8.1 4 3 0 35.36 2.538 4 8.1 2 5 0 45.92 1.976 4 6.2

-2 1 2 25.63 3.476 4 0.64 6 0 0 35.44 2.533 2 7.0 6 3 1 45.95 1.975 4 3.6-4 0 1 25.66 3.471 2 49.7 1 4 0 35.59 2.523 4 0.48 5 4 0 46.39 1.957 4 7.94 0 1 25.77 3.457 2 40.1 -2 3 2 35.82 2.507 4 10.0 0 2 4 46.58 1.950 4 2.31 3 0 26.79 3.328 4 0.83 2 3 2 35.90 2.501 4 10.3 -7 2 1 46.65 1.947 4 0.81

-3 2 1 26.89 3.315 4 13.3 -4 2 2 36.27 2.477 4 0.89 7 2 1 46.76 1.942 4 0.543 2 1 26.97 3.306 4 8.3 -4 3 1 36.95 2.433 4 2.1 -1 2 4 46.96 1.935 4 0.55

-4 1 1 27.13 3.287 4 11.5 4 3 1 37.02 2.428 4 3.1 -5 2 3 47.38 1.919 4 0.534 1 1 27.23 3.275 4 16.1 -5 1 2 37.42 2.403 4 3.0 3 1 4 47.64 1.909 4 0.530 2 2 27.41 3.254 4 85.1 -3 1 3 37.54 2.396 4 2.0 -7 1 2 47.85 1.901 4 0.69

-1 2 2 28.01 3.185 4 0.60 5 1 2 37.61 2.391 4 2.4 8 0 0 47.89 1.900 2 2.00 3 1 28.22 3.162 4 100.0 3 1 3 37.71 2.385 4 1.7 -4 4 2 47.93 1.898 4 1.42 3 0 28.69 3.112 4 23.9 -6 1 1 38.07 2.364 4 1.7 3 5 0 47.94 1.898 4 2.5

-3 1 2 28.82 3.097 4 66.6 6 1 1 38.18 2.357 4 1.9 4 4 2 48.05 1.893 4 1.0-1 3 1 28.83 3.097 4 10.6 -2 2 3 38.35 2.347 4 0.57 -4 3 3 48.21 1.887 4 1.71 3 1 28.85 3.095 4 8.0 2 2 3 38.46 2.341 4 0.56 4 3 3 48.40 1.881 4 0.893 1 2 28.97 3.082 4 70.1 2 4 1 38.66 2.329 4 1.2 8 1 0 48.76 1.868 4 6.24 2 0 29.28 3.050 4 33.7 5 3 0 39.72 2.269 4 0.80 -6 1 3 49.09 1.856 4 0.82

-2 2 2 29.82 2.996 4 4.1 -3 2 3 40.64 2.220 4 4.6 -3 5 1 49.19 1.852 4 0.682 2 2 29.91 2.987 4 5.2 3 2 3 40.80 2.212 4 8.0 3 5 1 49.24 1.851 4 0.62

-2 3 1 30.60 2.922 4 1.5 -4 3 2 41.45 2.178 4 11.1 6 1 3 49.37 1.846 4 1.42 3 1 30.64 2.917 4 1.4 4 3 2 41.59 2.171 4 10.0 2 4 3 49.70 1.835 4 0.695 1 0 30.69 2.914 4 3.1 0 3 3 41.63 2.170 4 0.78 7 3 0 49.78 1.831 4 0.70

-LIT

Lithosite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

LOS Losod

CHEMICAL COMPOSITION: |Na12(H2O)18| [Si12Al12O48]Synthetic material

REFINED COMPOSITION: |Na12.5(H2O)14.32| [Si12Al12O48]


X-ray Rietveld refinement, Rwp = 0.154, RF = 0.084, Rexp = 0.136

REFERENCE: P. A. Schicker,Ph.D. Thesis No. 8494, ETH Zurich (1988).


1 0 0 7.91 11.177 6 10.8 2 1 3 33.16 2.701 24 13.7 4 2 0 42.81 2.112 12 0.011 0 1 11.54 7.669 12 42.3 4 0 1 33.17 2.701 12 47.3 1 0 5 43.69 2.072 12 0.291 1 0 13.72 6.453 6 100.0 3 1 2 33.54 2.672 24 25.9 3 2 3 43.70 2.071 24 2.92 0 0 15.86 5.588 6 3.5 0 0 4 34.02 2.635 2 34.6 4 2 1 43.71 2.071 24 0.750 0 2 16.82 5.270 2 0.13 1 0 4 34.98 2.565 12 0.85 5 0 2 44.00 2.058 12 5.32 0 1 17.96 4.937 12 5.4 3 2 0 34.99 2.564 12 0.24 2 2 4 44.38 2.041 12 0.111 0 2 18.61 4.767 12 71.2 3 0 3 35.11 2.556 12 4.4 3 1 4 45.16 2.008 24 0.802 1 0 21.03 4.224 12 6.7 3 2 1 36.05 2.492 24 1.1 5 1 0 45.17 2.007 12 0.031 1 2 21.77 4.082 12 2.7 4 0 2 36.39 2.469 12 19.2 4 1 3 45.26 2.004 24 0.042 1 1 22.68 3.921 24 52.1 1 1 4 36.84 2.440 12 2.1 3 3 2 45.55 1.992 12 0.882 0 2 23.20 3.834 12 8.2 4 1 0 36.85 2.439 12 1.7 2 0 5 46.01 1.973 12 0.253 0 0 23.88 3.726 6 64.7 2 0 4 37.74 2.384 12 0.52 5 1 1 46.02 1.972 24 3.33 0 1 25.35 3.513 12 5.0 4 1 1 37.86 2.376 24 0.09 4 2 2 46.31 1.961 24 1.41 0 3 26.59 3.352 12 9.8 3 1 3 38.74 2.325 24 0.17 4 0 4 47.42 1.917 12 3.32 1 2 27.05 3.296 24 81.4 3 2 2 39.06 2.306 24 6.0 2 1 5 48.24 1.886 24 4.52 2 0 27.65 3.226 6 3.9 2 1 4 40.34 2.236 24 0.97 5 0 3 48.25 1.886 12 0.113 1 0 28.80 3.100 12 6.8 5 0 0 40.35 2.235 6 0.11 5 1 2 48.53 1.876 24 3.43 0 2 29.36 3.042 12 0.70 4 1 2 40.76 2.213 24 0.73 6 0 0 48.89 1.863 6 0.092 0 3 30.04 2.975 12 0.92 4 0 3 41.28 2.187 12 6.7 3 2 4 49.60 1.838 24 0.163 1 1 30.05 2.974 24 15.5 5 0 1 41.28 2.187 12 0.98 4 3 0 49.61 1.837 12 0.344 0 0 32.03 2.794 6 11.6 3 0 4 41.99 2.151 12 13.1 3 0 5 49.69 1.835 12 1.12 2 2 32.54 2.752 12 1.9 3 3 0 42.00 2.151 6 12.8 6 0 1 49.70 1.834 12 1.4

LO

SLosod

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

LOV Lovdarite

CHEMICAL COMPOSITION: |Na12K4(H2O)18| [Si28Be8O72]Mt. Karnasurt, Lovezero Pluton, Russia

REFINED COMPOSITION: |Na12K4(H2O)18| [Si28Be8O72]

CRYSTAL DATA: Pma2 (No. 28)a = 39.576 A b = 6.9308 A c = 7.1526 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: S. Merlino,Eur. J. Mineral. 2 809–817 (1990).


4 0 0 8.94 9.894 2 33.1 5 1 2 30.30 2.949 8 3.7 13 1 2 41.06 2.198 8 3.30 0 1 12.37 7.153 2 19.3 11 1 1 30.66 2.916 8 4.7 0 3 1 41.06 2.198 4 3.12 0 1 13.16 6.727 4 58.9 5 2 1 30.82 2.902 8 21.3 4 1 3 41.06 2.198 8 8.96 0 0 13.42 6.596 2 3.3 6 1 2 31.24 2.863 8 10.6 14 2 0 41.21 2.190 4 2.12 1 0 13.54 6.541 4 50.8 14 0 0 31.65 2.827 2 1.9 13 2 1 41.45 2.178 8 1.93 1 0 14.44 6.136 4 10.0 6 2 1 31.74 2.819 8 2.9 5 1 3 41.65 2.168 8 1.94 0 1 15.29 5.797 4 60.8 12 1 1 32.57 2.749 8 27.9 4 3 1 42.10 2.146 8 6.04 1 0 15.61 5.677 4 3.3 7 2 1 32.80 2.731 8 3.1 6 1 3 42.37 2.133 8 4.20 1 1 17.82 4.977 4 100.0 8 1 2 33.51 2.674 8 32.4 5 3 1 42.68 2.118 8 4.28 0 0 17.93 4.947 2 10.6 10 0 2 33.78 2.653 4 3.0 14 1 2 42.81 2.112 8 4.61 1 1 17.96 4.938 8 6.1 8 2 1 33.98 2.638 8 5.0 15 2 0 43.09 2.099 4 2.96 0 1 18.30 4.849 4 4.2 14 0 1 34.10 2.629 4 7.1 14 2 1 43.19 2.094 8 4.06 1 0 18.57 4.778 4 3.0 10 2 0 34.40 2.607 4 7.8 7 1 3 43.20 2.094 8 3.34 1 1 19.97 4.446 8 5.3 9 2 1 35.28 2.544 8 9.2 6 3 1 43.38 2.086 8 3.17 1 0 20.27 4.381 4 2.7 0 2 2 36.09 2.489 4 12.9 7 3 1 44.20 2.049 8 3.08 0 1 21.84 4.069 4 4.5 10 1 2 36.25 2.478 8 17.6 11 2 2 44.25 2.047 8 2.67 1 1 23.82 3.736 8 2.4 16 0 0 36.32 2.474 2 7.3 9 3 0 44.29 2.045 4 1.89 1 0 23.97 3.713 4 4.5 2 2 2 36.38 2.469 8 2.2 10 0 3 44.36 2.042 4 2.52 0 2 25.31 3.519 4 21.2 15 1 0 36.44 2.466 4 7.0 16 0 2 44.54 2.034 4 1.58 1 1 25.38 3.509 8 10.9 14 1 1 36.55 2.458 8 5.2 15 1 2 44.64 2.030 8 8.20 2 0 25.71 3.465 2 5.6 10 2 1 36.69 2.450 8 5.3 15 2 1 45.00 2.014 8 3.4

10 0 1 25.73 3.463 4 25.4 3 2 2 36.75 2.446 8 2.2 18 1 1 45.08 2.011 8 3.41 2 0 25.81 3.452 4 2.6 12 0 2 37.08 2.424 4 2.8 8 3 1 45.13 2.009 8 3.8

10 1 0 25.92 3.437 4 16.3 12 2 0 37.65 2.389 4 2.2 20 0 0 45.86 1.979 2 6.12 2 0 26.10 3.413 4 14.4 0 0 3 37.73 2.384 2 2.3 10 1 3 46.35 1.959 8 3.14 0 2 26.50 3.363 4 15.6 11 1 2 37.77 2.382 8 5.0 0 3 2 46.81 1.941 4 2.53 2 0 26.59 3.352 4 4.0 5 2 2 37.90 2.374 8 4.1 16 2 1 46.88 1.938 8 5.1

12 0 0 27.04 3.298 2 82.3 2 0 3 38.01 2.367 4 5.1 4 2 3 47.17 1.927 8 11.79 1 1 27.06 3.295 8 4.7 11 2 1 38.19 2.357 8 2.5 3 3 2 47.35 1.920 8 2.44 2 0 27.27 3.271 4 5.1 16 0 1 38.51 2.338 4 4.9 4 3 2 47.76 1.904 8 3.7

11 1 0 27.94 3.193 4 44.4 15 1 1 38.62 2.331 8 2.5 20 1 0 47.80 1.903 4 1.60 1 2 28.08 3.178 4 29.2 4 0 3 38.85 2.318 4 1.8 6 2 3 48.35 1.883 8 3.25 2 0 28.11 3.174 4 3.1 2 3 0 39.26 2.295 4 5.1 17 1 2 48.47 1.878 8 8.26 0 2 28.39 3.144 4 49.7 12 1 2 39.37 2.288 8 23.1 11 3 1 48.53 1.876 8 1.82 1 2 28.44 3.138 8 78.9 13 2 0 39.40 2.287 4 6.9 18 0 2 48.61 1.873 4 2.40 2 1 28.62 3.119 4 26.4 3 3 0 39.60 2.276 4 7.4 14 2 2 48.75 1.868 8 2.31 2 1 28.71 3.109 8 16.0 12 2 1 39.78 2.266 8 3.6 17 2 1 48.82 1.866 8 1.9

10 1 1 28.82 3.098 8 7.4 0 1 3 39.99 2.255 4 2.6 6 3 2 48.92 1.862 8 2.52 2 1 28.98 3.081 8 57.0 1 1 3 40.06 2.251 8 2.0 12 1 3 48.94 1.861 8 4.86 2 0 29.11 3.068 4 34.7 4 3 0 40.08 2.250 4 5.7 18 2 0 49.07 1.857 4 2.43 2 1 29.43 3.035 8 19.1 8 2 2 40.58 2.223 8 2.8 7 2 3 49.10 1.855 8 1.64 1 2 29.52 3.026 8 10.9 3 1 3 40.59 2.222 8 2.0 13 3 0 49.53 1.840 4 1.5

12 0 1 29.83 2.995 4 9.5 14 0 2 40.68 2.218 4 2.2 20 1 1 49.57 1.839 8 3.64 2 1 30.04 2.974 8 6.5 16 1 1 40.73 2.215 8 1.7 12 3 1 49.85 1.829 8 2.87 2 0 30.25 2.955 4 15.3 17 1 0 40.89 2.207 4 4.0 8 2 3 49.96 1.826 8 2.5

LO

VLovdarite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

LTA Linde Type A, Dehydrated

CHEMICAL COMPOSITION: |Na91.7| [Si96Al96O384]

REFINED COMPOSITION: |Na91.78| [Si96Al96O384]



REFERENCE: J. J. Pluth and J. V. Smith,J. Am. Chem. Soc. 102 4704–4708 (1980).


2 0 0 7.20 12.278 6 100.0 6 6 0 30.90 2.894 12 0.60 8 8 0 41.61 2.170 12 1.32 2 0 10.19 8.682 12 49.6 8 2 2 30.90 2.894 24 1.2 9 7 1 42.12 2.145 48 0.022 2 2 12.49 7.088 8 22.4 6 6 2 31.77 2.817 24 0.08 8 8 2 42.29 2.137 24 0.024 0 0 14.43 6.139 6 0.09 8 4 0 32.62 2.745 24 1.4 10 4 4 42.29 2.137 24 1.34 2 0 16.14 5.491 24 20.1 7 5 3 33.24 2.695 48 0.02 8 6 6 42.95 2.106 24 1.04 2 2 17.69 5.012 24 1.9 8 4 2 33.45 2.679 48 0.98 10 6 0 42.95 2.106 24 0.514 4 0 20.46 4.341 12 3.0 6 6 4 34.26 2.618 24 8.4 9 7 3 43.45 2.083 48 0.015 3 1 21.41 4.151 48 0.76 9 3 1 34.85 2.574 48 0.05 10 6 2 43.61 2.075 48 0.936 0 0 21.72 4.093 6 1.3 8 4 4 35.83 2.506 24 0.76 12 0 0 44.26 2.046 6 2.24 4 2 21.72 4.093 24 8.4 10 0 0 36.59 2.455 6 3.0 8 8 4 44.26 2.046 24 0.486 2 0 22.91 3.882 24 0.12 8 6 0 36.59 2.456 24 0.09 12 2 0 44.91 2.018 24 0.146 2 2 24.04 3.702 24 13.7 10 2 0 37.35 2.408 24 0.05 12 4 0 46.80 1.941 24 0.234 4 4 25.13 3.544 8 0.32 8 6 2 37.35 2.408 48 0.06 8 8 6 47.41 1.917 24 1.26 4 0 26.17 3.405 24 0.59 10 2 2 38.08 2.363 24 0.23 10 8 0 47.41 1.917 24 0.626 4 2 27.18 3.281 48 9.0 6 6 6 38.08 2.363 8 1.3 10 8 2 48.02 1.894 48 1.87 3 1 27.91 3.197 48 0.03 9 5 3 39.35 2.290 48 0.02 11 7 1 48.48 1.878 48 0.028 0 0 29.09 3.069 6 0.03 10 4 0 39.53 2.280 24 0.14 10 6 6 48.63 1.872 24 0.016 4 4 30.01 2.978 24 4.6 8 6 4 39.53 2.280 48 0.20 12 4 4 49.23 1.851 24 0.108 2 0 30.01 2.978 24 6.4 10 4 2 40.23 2.242 48 0.47 10 8 4 49.82 1.830 48 0.39

LTA

Linde

Typ

eA,D

ehydrated

504030201002 theta (°)

504846444240383634323028262422201816141210

86420

LTA Linde Type A, Hydrated





REFERENCE: K. Hasegawa, E. Nishibori, M. Takata, M. Sakata and N. Togashi,Jpn. J. Appl. Phys. 38 Suppl. 38-1 65–68 (1999).


2 0 0 7.20 12.276 6 100.0 8 2 2 30.90 2.894 24 2.2 10 4 4 42.29 2.137 24 2.62 2 0 10.19 8.681 12 69.7 7 5 1 31.56 2.835 48 0.05 8 6 6 42.96 2.105 24 1.52 2 2 12.49 7.088 8 21.3 6 6 2 31.77 2.816 24 0.32 10 6 0 42.96 2.105 24 0.814 0 0 14.43 6.138 6 0.18 8 4 0 32.62 2.745 24 2.5 9 7 3 43.45 2.083 48 0.374 2 0 16.14 5.490 24 32.6 7 5 3 33.24 2.695 48 0.06 10 6 2 43.62 2.075 48 1.64 2 2 17.70 5.012 24 1.1 8 4 2 33.45 2.679 48 1.8 12 0 0 44.27 2.046 6 3.34 4 0 20.46 4.340 12 2.1 6 6 4 34.26 2.617 24 13.3 8 8 4 44.27 2.046 24 0.555 3 1 21.41 4.150 48 1.4 8 4 4 35.83 2.506 24 1.3 11 5 1 44.75 2.025 48 0.026 0 0 21.72 4.092 6 1.2 8 6 0 36.60 2.455 24 0.17 12 2 0 44.91 2.018 24 0.224 4 2 21.72 4.092 24 12.8 10 0 0 36.60 2.455 6 4.0 9 7 5 46.02 1.972 48 0.226 2 0 22.91 3.882 24 0.26 8 6 2 37.35 2.408 48 0.05 12 4 0 46.80 1.941 24 0.296 2 2 24.04 3.701 24 23.3 9 5 1 37.90 2.374 48 0.03 12 4 2 47.42 1.917 48 0.014 4 4 25.13 3.544 8 0.42 10 2 2 38.09 2.363 24 0.62 10 8 0 47.42 1.917 24 1.06 4 0 26.17 3.405 24 1.3 6 6 6 38.09 2.363 8 1.5 8 8 6 47.42 1.917 24 1.86 4 2 27.18 3.281 48 12.0 10 4 0 39.53 2.280 24 0.40 10 8 2 48.03 1.894 48 2.27 3 1 27.91 3.197 48 0.23 8 6 4 39.53 2.280 48 0.60 11 7 1 48.48 1.878 48 0.148 0 0 29.09 3.069 6 0.21 10 4 2 40.23 2.241 48 0.81 12 4 4 49.23 1.851 24 0.198 2 0 30.01 2.977 24 9.2 8 8 0 41.61 2.170 12 2.3 13 3 1 49.68 1.835 48 0.116 4 4 30.01 2.977 24 7.9 11 3 1 42.12 2.145 48 0.14 12 6 0 49.83 1.830 24 0.046 6 0 30.90 2.894 12 1.3 9 7 1 42.12 2.145 48 0.08 10 8 4 49.83 1.830 48 0.64

LTA

Linde

Typ

eA,H

ydrated

504030201002 theta (°)

70

60

50

40

30

20

10

0

LTL Perlialite

CHEMICAL COMPOSITION: |K12(H2O)20| [Si24Al12O72]Murun Massif, Russia

REFINED COMPOSITION: |K7.56Tl3.8(H2O)22.46| [Si24Al12O72]


X-ray powder refinement, Rwp = 0.20, Rp = 0.17

REFERENCE: G. Artioli and A. Kvick,Eur. J. Mineral. 2 749–759 (1990).


1 0 0 5.50 16.059 6 100.0 3 3 1 31.28 2.859 12 15.8 6 0 2 41.39 2.182 12 4.71 1 0 9.54 9.272 6 8.8 4 2 1 31.79 2.815 24 6.8 4 3 2 41.79 2.162 24 1.52 0 0 11.02 8.029 6 2.5 4 0 2 32.60 2.746 12 6.1 6 2 1 42.32 2.136 24 1.90 0 1 11.75 7.531 2 0.10 5 1 1 33.26 2.693 24 3.6 4 0 3 42.47 2.128 12 0.091 0 1 12.98 6.818 12 1.6 6 0 0 33.48 2.676 6 27.1 5 2 2 42.57 2.124 24 1.32 1 0 14.59 6.070 12 6.3 4 3 0 33.96 2.640 12 0.11 5 4 0 44.04 2.056 12 0.591 1 1 15.16 5.846 12 0.34 3 2 2 34.04 2.633 24 12.2 6 1 2 44.11 2.053 24 0.422 0 1 16.14 5.493 12 4.6 5 2 0 34.89 2.571 12 0.13 7 1 1 44.25 2.047 24 2.03 0 0 16.56 5.353 6 18.9 4 1 2 34.98 2.565 24 6.5 4 1 3 44.39 2.041 24 0.152 1 1 18.78 4.726 24 1.0 6 0 1 35.60 2.522 12 7.2 6 3 0 44.79 2.023 12 0.402 2 0 19.14 4.636 6 19.0 0 0 3 35.77 2.510 2 0.35 8 0 0 45.17 2.007 6 0.333 1 0 19.93 4.454 12 3.0 4 3 1 36.05 2.491 24 11.7 5 4 1 45.74 1.984 24 0.093 0 1 20.35 4.363 12 17.0 1 0 3 36.22 2.480 12 0.75 5 0 3 45.88 1.978 12 0.434 0 0 22.14 4.015 6 3.5 6 1 0 36.70 2.449 12 0.10 4 4 2 45.98 1.974 12 0.092 2 1 22.52 3.948 12 51.0 5 0 2 36.78 2.444 12 3.1 7 2 0 46.27 1.962 12 0.033 1 1 23.20 3.834 24 12.3 5 2 1 36.94 2.434 24 5.3 7 0 2 46.34 1.959 12 0.880 0 2 23.63 3.765 2 5.1 1 1 3 37.10 2.423 12 0.45 5 3 2 46.34 1.959 24 2.23 2 0 24.16 3.684 12 3.1 2 0 3 37.54 2.396 12 0.85 6 3 1 46.47 1.954 24 4.81 0 2 24.28 3.666 12 5.4 3 3 2 37.65 2.389 12 6.1 3 3 3 46.61 1.949 12 2.64 0 1 25.14 3.543 12 0.66 4 2 2 38.08 2.363 24 0.54 8 0 1 46.84 1.940 12 3.64 1 0 25.42 3.504 12 2.8 6 1 1 38.66 2.329 24 0.39 4 2 3 46.97 1.934 24 1.11 1 2 25.53 3.489 12 25.7 2 1 3 38.82 2.320 24 0.48 6 2 2 47.43 1.917 24 0.043 2 1 26.94 3.309 24 3.2 4 4 0 38.85 2.318 6 0.78 7 2 1 47.91 1.899 24 0.675 0 0 27.78 3.212 6 18.7 7 0 0 39.27 2.294 6 2.8 5 1 3 48.05 1.894 24 0.242 1 2 27.88 3.200 24 6.3 5 3 0 39.27 2.294 12 2.1 0 0 4 48.34 1.883 2 5.34 1 1 28.08 3.177 24 2.6 5 1 2 39.35 2.290 24 0.73 8 1 0 48.43 1.880 12 0.043 3 0 28.89 3.091 6 0.10 3 0 3 39.65 2.273 12 6.4 1 0 4 48.69 1.870 12 0.623 0 2 28.99 3.080 12 34.8 6 2 0 40.51 2.227 12 0.24 5 5 0 49.13 1.854 6 0.254 2 0 29.43 3.035 12 7.0 4 4 1 40.73 2.215 12 8.7 7 1 2 49.20 1.852 24 1.45 0 1 30.25 2.954 12 0.04 2 2 3 40.88 2.207 12 7.7 1 1 4 49.39 1.845 12 1.22 2 2 30.59 2.923 12 6.7 7 0 1 41.13 2.195 12 2.0 6 4 0 49.48 1.842 12 0.455 1 0 31.00 2.884 12 3.0 5 3 1 41.13 2.195 24 0.05 2 0 4 49.74 1.833 12 0.063 1 2 31.10 2.876 24 0.07 3 1 3 41.28 2.187 24 0.45

LTL

Perlialite

504030201002 theta (°)

60

50

40

30

20

10

0

LTL Linde Type L

CHEMICAL COMPOSITION: |Na3K6(H2O)21| [Si27Al9O72]Synthetic material

REFINED COMPOSITION: |Na5K4.7(H2O)20.8| [Si27Al9O72]


X-ray powder refinement, RF = 0.13

REFERENCE: R. M. Barrer and H. Villiger,Z. Kristallogr. 128 352–270 (1969).


1 0 0 5.55 15.935 6 100.0 5 1 0 31.25 2.862 12 0.19 4 3 2 42.04 2.149 24 0.081 1 0 9.61 9.200 6 2.2 3 3 1 31.50 2.840 12 1.6 4 0 3 42.61 2.122 12 0.832 0 0 11.10 7.967 6 1.9 4 2 1 32.01 2.796 24 2.9 6 2 1 42.64 2.120 24 0.220 0 1 11.77 7.520 2 24.3 5 1 1 33.50 2.675 24 2.8 5 2 2 42.83 2.111 24 0.031 0 1 13.02 6.801 12 1.7 6 0 0 33.75 2.656 6 11.3 7 1 0 42.85 2.111 12 0.142 1 0 14.71 6.023 12 17.5 3 2 2 34.21 2.621 24 8.3 3 2 3 43.79 2.067 24 0.361 1 1 15.22 5.822 12 10.6 4 3 0 34.23 2.620 12 0.03 6 1 2 44.39 2.041 24 1.12 0 1 16.21 5.469 12 0.20 4 1 2 35.15 2.553 24 0.13 5 4 0 44.40 2.040 12 0.033 0 0 16.69 5.312 6 0.74 5 2 0 35.17 2.552 12 3.1 4 1 3 44.56 2.033 24 0.932 1 1 18.88 4.701 24 0.99 0 0 3 35.82 2.507 2 0.77 7 1 1 44.59 2.032 24 0.552 2 0 19.30 4.600 6 18.3 6 0 1 35.86 2.504 12 4.6 6 3 0 45.16 2.008 12 0.933 1 0 20.09 4.420 12 3.5 1 0 3 36.28 2.476 12 0.12 8 0 0 45.54 1.992 6 0.443 0 1 20.47 4.339 12 11.6 4 3 1 36.31 2.474 24 4.4 5 0 3 46.07 1.970 12 0.364 0 0 22.32 3.984 6 1.5 5 0 2 36.97 2.431 12 0.11 5 4 1 46.10 1.969 24 0.872 2 1 22.66 3.924 12 22.7 6 1 0 36.99 2.430 12 5.5 4 4 2 46.27 1.962 12 0.243 1 1 23.35 3.810 24 0.26 1 1 3 37.17 2.419 12 0.33 5 3 2 46.64 1.947 24 0.660 0 2 23.66 3.760 2 0.08 5 2 1 37.21 2.416 24 1.8 7 0 2 46.64 1.947 12 0.201 0 2 24.32 3.660 12 16.1 2 0 3 37.62 2.391 12 0.03 7 2 0 46.66 1.947 12 0.593 2 0 24.35 3.656 12 0.48 3 3 2 37.86 2.376 12 0.29 3 3 3 46.81 1.941 12 0.504 0 1 25.30 3.520 12 0.44 4 2 2 38.29 2.350 24 0.38 6 3 1 46.84 1.940 24 0.071 1 2 25.59 3.481 12 11.5 6 1 1 38.95 2.312 24 0.21 4 2 3 47.17 1.927 24 0.044 1 0 25.62 3.477 12 5.3 4 4 0 39.17 2.300 6 3.7 8 0 1 47.20 1.925 12 0.432 0 2 26.21 3.400 12 1.3 5 1 2 39.57 2.277 24 0.50 6 2 2 47.74 1.905 24 0.723 2 1 27.12 3.288 24 12.1 5 3 0 39.59 2.276 12 0.37 5 1 3 48.26 1.886 24 0.792 1 2 27.97 3.189 24 5.7 7 0 0 39.59 2.276 6 0.23 7 2 1 48.29 1.885 24 0.315 0 0 28.00 3.187 6 20.9 3 0 3 39.76 2.267 12 0.06 0 0 4 48.42 1.880 2 7.24 1 1 28.28 3.156 24 3.2 6 2 0 40.84 2.210 12 0.44 1 0 4 48.77 1.867 12 0.423 0 2 29.10 3.069 12 15.4 2 2 3 41.00 2.201 12 2.0 1 1 4 49.48 1.842 12 0.143 3 0 29.12 3.067 6 3.0 4 4 1 41.04 2.199 12 6.7 7 1 2 49.52 1.840 24 0.224 2 0 29.66 3.011 12 4.8 3 1 3 41.41 2.180 24 0.13 5 5 0 49.54 1.840 6 1.75 0 1 30.46 2.934 12 0.76 7 0 1 41.44 2.179 12 0.01 2 0 4 49.84 1.830 12 0.152 2 2 30.71 2.911 12 25.2 5 3 1 41.44 2.179 24 0.44 6 4 0 49.89 1.828 12 0.023 1 2 31.23 2.864 24 2.3 6 0 2 41.63 2.169 12 0.42

LTL

Linde

Typ

eL

504030201002 theta (°)

30

25

20

15

10

5

0

LTN NaZ-21





REFERENCE: Y. F. Shepelev, Y. I. Smolin, I. K. Butikova and V. I. Tarasov,Doklady Akad. Nauk SSSR 272 1133–1137 (1975).


1 1 1 4.14 21.333 8 34.7 9 5 3 25.86 3.446 24 2.3 14 0 2 34.32 2.613 12 2.02 2 0 6.77 13.064 12 100.0 8 4 6 25.97 3.431 24 1.5 13 5 3 34.59 2.593 24 0.703 1 1 7.94 11.141 24 54.6 8 6 4 25.97 3.431 24 1.0 13 3 5 34.59 2.593 24 0.662 2 2 8.29 10.667 8 7.5 10 2 4 26.42 3.373 24 5.0 14 2 2 34.67 2.587 24 0.594 0 0 9.57 9.238 6 24.0 10 4 2 26.42 3.373 24 2.3 9 9 7 35.28 2.544 24 3.93 3 1 10.44 8.477 24 4.8 8 8 0 27.31 3.266 12 0.80 11 9 3 35.28 2.544 24 0.635 1 1 12.45 7.111 24 10.4 11 3 1 27.63 3.228 24 2.1 12 6 6 35.71 2.514 24 1.93 3 3 12.45 7.111 8 0.76 11 1 3 27.63 3.228 24 1.1 12 8 4 36.39 2.469 24 0.854 4 0 13.56 6.532 12 58.6 9 1 7 27.63 3.228 24 2.2 15 1 1 36.64 2.452 24 8.25 3 1 14.18 6.246 24 14.3 9 7 1 27.63 3.228 24 3.6 11 5 9 36.64 2.452 24 3.35 1 3 14.18 6.246 24 13.5 8 8 2 27.74 3.216 24 1.1 11 9 5 36.64 2.452 24 2.14 4 2 14.38 6.158 24 0.81 10 4 4 27.74 3.216 24 2.0 10 8 8 36.73 2.447 24 5.16 0 2 15.16 5.842 12 0.94 8 6 6 28.16 3.168 24 0.86 15 3 1 37.31 2.410 24 0.646 2 0 15.16 5.842 12 4.4 10 0 6 28.16 3.168 12 0.74 9 9 9 37.96 2.370 8 3.15 3 3 15.73 5.635 24 6.5 9 7 3 28.48 3.134 24 3.9 11 7 9 38.60 2.332 24 0.626 2 2 15.91 5.570 24 2.8 11 3 3 28.48 3.134 24 6.6 16 0 0 39.00 2.309 6 2.04 4 4 16.62 5.333 8 2.9 9 3 7 28.48 3.134 24 1.5 15 5 3 39.24 2.296 24 1.55 5 1 17.14 5.174 24 12.6 11 5 1 29.30 3.048 24 1.3 15 3 5 39.24 2.296 24 1.36 2 4 17.96 4.938 24 2.1 11 1 5 29.30 3.048 24 2.0 15 5 5 40.48 2.228 24 1.87 1 3 18.44 4.810 24 6.2 7 7 7 29.30 3.048 8 0.85 16 2 4 40.56 2.224 24 0.887 3 1 18.44 4.810 24 4.8 10 4 6 29.81 2.997 24 11.7 16 4 2 40.56 2.224 24 0.847 3 3 19.67 4.514 24 4.6 10 6 4 29.81 2.997 24 7.0 15 3 7 41.09 2.196 24 0.738 2 2 20.39 4.355 24 3.9 12 2 2 29.81 2.997 24 7.7 12 12 0 41.47 2.177 12 9.06 6 0 20.39 4.355 12 3.6 11 5 3 30.11 2.968 24 0.77 17 1 1 41.70 2.166 24 0.895 5 5 20.82 4.267 8 1.0 12 0 4 30.60 2.921 12 2.7 11 11 7 41.70 2.166 24 2.17 1 5 20.82 4.267 24 1.0 12 4 0 30.60 2.921 12 2.2 12 12 2 41.77 2.162 24 1.36 6 2 20.96 4.238 24 1.7 12 2 4 30.99 2.885 24 3.2 13 7 9 42.29 2.137 24 0.678 4 0 21.51 4.131 12 1.3 12 4 2 30.99 2.885 24 1.9 17 3 3 42.88 2.109 24 2.28 0 4 21.51 4.131 12 6.7 10 2 8 31.38 2.851 24 0.98 12 10 8 42.96 2.105 24 0.627 5 3 21.91 4.056 24 14.1 11 1 7 31.66 2.826 24 1.6 16 0 8 43.83 2.066 12 0.677 3 5 21.91 4.056 24 7.7 11 5 5 31.66 2.826 24 5.7 17 5 3 44.04 2.056 24 1.39 1 1 21.91 4.056 24 6.7 11 7 1 31.66 2.826 24 3.4 15 7 7 44.04 2.056 24 0.598 2 4 22.05 4.032 24 1.0 13 1 1 31.66 2.826 24 0.94 17 3 5 44.04 2.056 24 2.16 6 4 22.57 3.939 24 5.5 12 4 4 32.14 2.785 24 6.8 11 11 9 44.04 2.056 24 1.08 4 4 23.59 3.771 24 17.9 11 3 7 32.42 2.762 24 0.58 16 6 6 44.40 2.040 24 0.787 7 1 23.96 3.714 24 1.7 13 3 1 32.42 2.762 24 10.6 13 9 9 44.61 2.031 24 0.929 3 3 23.96 3.714 24 24.0 9 7 7 32.42 2.762 24 9.7 13 13 1 45.18 2.007 24 0.617 5 5 23.96 3.714 24 3.1 13 1 3 32.42 2.762 24 8.9 19 1 1 46.84 1.939 24 0.838 6 2 24.57 3.623 24 1.2 10 8 4 32.51 2.754 24 0.89 16 10 4 47.46 1.916 24 0.759 5 1 24.93 3.572 24 2.1 12 2 6 32.88 2.724 24 2.3 16 4 10 47.46 1.916 24 0.589 1 5 24.93 3.572 24 1.2 12 6 2 32.88 2.724 24 2.2 14 14 0 48.80 1.866 12 2.77 7 3 24.93 3.572 24 1.9 9 9 5 33.15 2.702 24 6.1 18 6 6 49.06 1.857 24 0.946 6 6 25.04 3.556 8 0.85 8 8 8 33.61 2.667 8 12.2 16 0 12 49.32 1.847 12 0.77

10 2 2 25.04 3.556 24 1.6 10 8 6 34.32 2.613 24 2.3 16 12 0 49.32 1.847 12 0.609 3 5 25.86 3.446 24 2.9 10 6 8 34.32 2.613 24 1.8 20 0 0 49.32 1.847 6 0.61

LTN

NaZ

-21

504030201002 theta (°)

60

50

40

30

20

10

0

MAR Marinellite

CHEMICAL COMPOSITION: |Na31.86K11.13Ca6.06(SO4)8.12Cl1.62(H2O)3.41| [Si35.98Al36.02O144]Sacrofano, Biachella Valley, Latium, Italy.

REFINED COMPOSITION: |Na48.02K10.98Ca6.08(SO4)8Cl6O16(H2O)14| [Si36Al36O144]



REFERENCE: E. Bonaccorsi and P. Orlandi,Eur. J. Mineral. 15 1019–1027 (2003).


0 0 2 5.56 15.880 2 2.7 3 -1 7 28.91 3.088 12 15.1 4 0 8 39.49 2.282 12 4.11 0 0 7.93 11.154 6 20.1 2 1 7 28.91 3.088 12 17.6 3 0 11 39.52 2.280 12 3.21 0 1 8.40 10.524 12 3.5 3 1 1 29.00 3.079 12 1.4 4 1 5 39.65 2.273 12 0.891 0 3 11.52 7.679 12 1.9 4 -1 1 29.00 3.079 12 1.2 5 -1 5 39.65 2.273 12 0.761 0 4 13.69 6.469 12 1.9 1 0 10 29.24 3.055 12 10.0 0 0 14 39.73 2.269 2 0.771 1 0 13.75 6.440 6 9.7 3 0 6 29.35 3.043 12 3.0 3 -1 12 40.23 2.242 12 0.742 -1 2 14.84 5.968 6 5.6 4 -1 2 29.41 3.037 12 0.63 5 -2 7 40.47 2.229 12 1.01 1 2 14.84 5.968 6 4.1 3 1 2 29.41 3.037 12 0.66 3 2 7 40.47 2.229 12 1.42 0 0 15.89 5.577 6 3.1 2 0 9 29.96 2.982 12 0.60 5 0 1 40.54 2.225 12 0.671 0 5 16.06 5.520 12 24.7 3 1 4 31.02 2.883 12 2.8 4 -1 10 40.71 2.216 12 1.22 0 1 16.13 5.493 12 1.2 4 -1 4 31.02 2.883 12 1.5 3 1 10 40.71 2.216 12 0.820 0 6 16.75 5.293 2 1.0 3 0 7 31.10 2.876 12 5.0 4 0 9 41.26 2.188 12 3.12 0 2 16.85 5.262 12 5.1 2 -1 10 31.40 2.849 6 1.8 3 0 12 41.90 2.156 12 14.72 0 3 17.98 4.934 12 3.4 1 1 10 31.40 2.849 6 1.0 5 -2 8 42.00 2.151 12 0.731 0 6 18.55 4.782 12 7.2 1 0 11 32.02 2.795 12 1.1 3 3 0 42.09 2.147 6 26.82 0 4 19.45 4.564 12 3.4 4 0 0 32.10 2.789 6 10.9 2 1 13 42.78 2.114 12 0.652 1 0 21.07 4.216 12 5.9 3 1 5 32.18 2.781 12 6.2 4 -1 11 42.84 2.111 12 0.691 0 7 21.14 4.203 12 48.4 4 -1 5 32.18 2.781 12 4.5 3 1 11 42.84 2.111 12 0.622 0 5 21.20 4.191 12 5.6 4 0 1 32.22 2.778 12 2.1 5 0 5 42.97 2.105 12 1.23 -1 1 21.26 4.179 12 2.2 2 0 10 32.44 2.760 12 0.83 6 -2 1 43.00 2.103 12 1.12 -1 6 21.73 4.089 6 0.59 4 -2 6 32.55 2.751 6 1.7 4 2 1 43.00 2.103 12 0.981 1 6 21.73 4.089 6 3.1 2 2 6 32.55 2.751 6 2.7 4 0 10 43.17 2.096 12 5.93 -1 2 21.81 4.075 12 4.9 4 0 2 32.60 2.747 12 15.6 4 -2 12 44.30 2.045 6 0.812 1 2 21.81 4.075 12 6.0 4 0 3 33.22 2.697 12 1.5 4 0 11 45.20 2.006 12 1.63 -1 3 22.70 3.917 12 8.7 0 0 12 33.87 2.647 2 26.4 6 -1 1 45.36 1.999 12 1.72 1 3 22.70 3.917 12 11.7 4 0 4 34.08 2.631 12 8.3 5 1 1 45.36 1.999 12 1.52 0 6 23.17 3.839 12 3.6 3 0 9 35.06 2.560 12 0.84 3 2 10 45.52 1.993 12 0.671 0 8 23.79 3.740 12 18.0 3 2 0 35.07 2.559 12 3.1 5 -2 10 45.52 1.993 12 0.742 1 4 23.90 3.724 12 6.4 4 -1 7 35.11 2.556 12 7.1 6 -3 6 45.60 1.989 6 0.793 -1 4 23.90 3.724 12 4.3 3 1 7 35.11 2.556 12 7.3 5 1 3 46.11 1.968 12 0.603 0 0 23.93 3.718 6 100.0 4 0 5 35.14 2.553 12 17.2 6 -2 6 46.36 1.958 12 1.13 0 1 24.10 3.693 12 2.9 5 -2 2 35.53 2.526 12 1.3 1 0 16 46.46 1.954 12 1.03 0 2 24.59 3.620 12 4.2 3 2 2 35.53 2.526 12 0.90 5 0 8 46.70 1.945 12 0.702 0 7 25.30 3.520 12 0.84 5 -2 3 36.11 2.487 12 0.82 4 0 12 47.35 1.920 12 2.43 -1 5 25.35 3.513 12 42.0 3 2 3 36.11 2.487 12 0.60 5 1 5 47.59 1.911 12 1.32 1 5 25.35 3.513 12 50.3 4 0 6 36.42 2.467 12 1.5 5 1 6 48.59 1.874 12 1.83 0 4 26.47 3.367 12 1.4 1 1 12 36.71 2.448 6 1.6 6 -1 6 48.59 1.874 12 0.671 0 9 26.49 3.365 12 5.6 2 -1 12 36.71 2.448 6 3.1 6 0 1 49.09 1.856 12 1.22 1 6 27.04 3.298 12 20.5 4 -1 8 36.83 2.440 12 1.3 1 0 17 49.46 1.843 12 2.23 -1 6 27.04 3.298 12 14.2 3 1 8 36.83 2.440 12 1.5 3 2 12 49.55 1.840 12 1.72 0 8 27.58 3.234 12 1.8 4 1 0 36.93 2.434 12 7.2 5 -2 12 49.55 1.840 12 1.42 2 0 27.70 3.220 6 1.7 3 0 10 37.23 2.415 12 0.61 4 0 13 49.61 1.838 12 2.33 0 5 27.80 3.209 12 2.3 4 0 7 37.87 2.376 12 9.4 6 -1 7 49.75 1.833 12 0.810 0 10 28.09 3.176 2 0.65 3 2 5 37.90 2.374 12 0.69 5 1 7 49.75 1.833 12 1.42 2 2 28.28 3.156 6 0.95 5 -2 5 37.90 2.374 12 1.1 5 0 10 49.96 1.826 12 0.79

MAR

Marinellite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

MAZ Mazzite

CHEMICAL COMPOSITION: |Na0.8K2.5Ca1.4Mg2.1(H2O)28| [Si26.5Al9.9O72]Mont Semiol, Loire, France

REFINED COMPOSITION: |Na0.3K2.52Ca1.06Mg2(H2O)31.48| [Si26.28Al9.72O72]



REFERENCE: E. Galli,Rend. Soc. Ital. Mineral. Petrol. 31 599–612 (1975).


1 0 0 5.55 15.928 6 98.1 4 0 2 32.47 2.758 12 0.05 7 1 0 42.87 2.110 12 0.061 1 0 9.62 9.196 6 92.2 5 1 1 33.44 2.679 24 13.9 3 2 3 43.28 2.090 24 3.62 0 0 11.11 7.964 6 39.7 6 0 0 33.76 2.655 6 4.6 4 1 3 44.06 2.055 24 0.011 0 1 12.84 6.893 12 25.3 3 2 2 33.94 2.642 24 16.3 6 1 2 44.17 2.050 24 6.82 1 0 14.71 6.020 12 45.0 4 3 0 34.24 2.619 12 0.71 5 4 0 44.42 2.039 12 0.012 0 1 16.07 5.516 12 5.1 4 1 2 34.89 2.572 24 0.20 7 1 1 44.55 2.034 24 4.03 0 0 16.70 5.309 6 16.4 5 2 0 35.19 2.551 12 18.0 6 3 0 45.18 2.007 12 4.12 1 1 18.76 4.730 24 50.4 1 0 3 35.68 2.517 12 1.4 8 0 0 45.56 1.991 6 3.62 2 0 19.30 4.598 6 1.3 6 0 1 35.81 2.508 12 3.2 5 0 3 45.58 1.990 12 8.43 1 0 20.10 4.418 12 9.1 4 3 1 36.26 2.477 24 0.04 5 4 1 46.06 1.970 24 2.13 0 1 20.36 4.361 12 1.4 5 0 2 36.72 2.447 12 3.1 4 4 2 46.07 1.970 12 3.74 0 0 22.33 3.982 6 11.6 6 1 0 37.01 2.429 12 1.0 5 3 2 46.44 1.955 24 1.23 1 1 23.25 3.825 24 97.3 2 0 3 37.03 2.427 12 3.5 7 0 2 46.44 1.955 12 0.360 0 2 23.27 3.823 2 14.3 5 2 1 37.16 2.419 24 3.7 7 2 0 46.68 1.946 12 0.551 0 2 23.94 3.717 12 36.2 3 3 2 37.61 2.392 12 7.4 4 2 3 46.70 1.945 24 1.43 2 0 24.36 3.654 12 31.9 4 2 2 38.05 2.365 24 3.1 6 3 1 46.80 1.941 24 3.14 0 1 25.22 3.532 12 0.15 2 1 3 38.35 2.347 24 0.54 8 0 1 47.17 1.927 12 1.11 1 2 25.23 3.530 12 100.0 6 1 1 38.90 2.315 24 0.36 6 2 2 47.54 1.913 24 0.474 1 0 25.63 3.476 12 5.2 4 4 0 39.18 2.299 6 12.7 0 0 4 47.57 1.911 2 19.62 0 2 25.85 3.446 12 8.7 3 0 3 39.21 2.298 12 0.14 5 1 3 47.79 1.903 24 5.63 2 1 27.04 3.297 24 2.1 5 1 2 39.34 2.290 24 0.52 1 0 4 47.93 1.898 12 0.762 1 2 27.64 3.227 24 0.01 7 0 0 39.61 2.275 6 0.33 7 2 1 48.26 1.886 24 2.95 0 0 28.01 3.186 6 83.7 5 3 0 39.61 2.275 12 0.51 1 1 4 48.65 1.871 12 0.184 1 1 28.20 3.164 24 0.43 6 2 0 40.85 2.209 12 3.4 8 1 0 48.85 1.864 12 0.023 0 2 28.78 3.102 12 35.4 3 1 3 40.88 2.208 24 1.2 2 0 4 49.01 1.859 12 2.83 3 0 29.13 3.065 6 25.4 7 0 1 41.40 2.181 12 0.75 7 1 2 49.34 1.847 24 0.074 2 0 29.68 3.010 12 31.6 5 3 1 41.40 2.181 24 0.34 5 5 0 49.56 1.839 6 10.55 0 1 30.40 2.941 12 54.5 6 0 2 41.41 2.181 12 0.59 6 0 3 49.58 1.839 12 0.632 2 2 30.41 2.940 12 48.2 4 3 2 41.81 2.160 24 0.03 6 4 0 49.91 1.827 12 0.333 1 2 30.93 2.891 24 0.26 4 0 3 42.09 2.147 12 8.9 4 3 3 49.93 1.826 24 0.075 1 0 31.27 2.861 12 3.7 6 2 1 42.60 2.122 24 9.84 2 1 31.95 2.801 24 2.0 5 2 2 42.61 2.122 24 0.81

MAZ

Mazzite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

MEI ZSM-18, SiO2 Framework




DLS76 refinement

REFERENCE: S. L. Lawton and W. J. Rohrbaugh,Science 247 1319–1322 (1990).


1 0 0 7.75 11.410 6 100.0 1 3 3 32.99 2.715 12 0.58 3 3 2 42.73 2.116 12 0.241 0 1 9.55 9.260 12 5.2 3 1 3 32.99 2.715 12 0.14 4 1 4 42.90 2.108 12 0.050 0 2 11.17 7.924 2 17.2 4 0 2 33.38 2.684 12 0.73 1 4 4 42.90 2.108 12 0.021 1 0 13.44 6.587 6 4.5 0 0 6 33.94 2.641 2 0.05 5 0 3 43.18 2.095 12 0.211 0 2 13.60 6.508 12 1.7 3 2 0 34.26 2.618 6 0.07 2 4 2 43.49 2.081 12 0.091 1 1 14.56 6.083 12 8.0 2 3 0 34.26 2.618 6 0.32 4 2 2 43.49 2.081 12 0.022 0 0 15.53 5.705 6 0.29 2 3 1 34.73 2.583 12 0.36 2 2 6 43.94 2.061 12 0.302 0 1 16.51 5.368 12 2.1 3 2 1 34.73 2.583 12 0.32 1 5 0 44.19 2.049 6 0.201 1 2 17.51 5.066 12 5.9 1 0 6 34.86 2.573 12 0.08 5 1 0 44.19 2.049 6 0.301 0 3 18.51 4.794 12 2.6 2 1 5 35.14 2.554 12 0.67 5 1 1 44.58 2.032 12 0.032 0 2 19.17 4.630 12 1.6 1 2 5 35.14 2.554 12 0.30 1 3 6 44.69 2.028 12 0.271 2 0 20.59 4.313 6 0.47 2 2 4 35.44 2.533 12 0.28 3 3 3 44.69 2.028 12 0.432 1 0 20.59 4.313 6 2.8 4 0 3 35.77 2.510 12 0.15 2 3 5 44.91 2.018 12 0.041 2 1 21.35 4.161 12 7.5 4 1 0 36.07 2.490 6 0.20 2 1 7 45.23 2.005 12 0.102 1 1 21.35 4.161 12 0.10 1 4 0 36.07 2.490 6 1.2 1 2 7 45.23 2.005 12 0.181 1 3 21.56 4.121 12 6.9 2 3 2 36.14 2.486 12 0.29 2 4 3 45.43 1.996 12 0.150 0 4 22.44 3.962 2 1.5 3 2 2 36.14 2.486 12 0.50 4 2 3 45.43 1.996 12 0.092 0 3 22.94 3.876 12 1.2 3 1 4 36.33 2.473 12 0.16 5 1 2 45.73 1.984 12 0.133 0 0 23.39 3.803 6 0.14 4 1 1 36.53 2.460 12 0.13 5 0 4 45.89 1.977 12 0.092 1 2 23.49 3.788 12 0.07 1 4 1 36.53 2.460 12 0.15 4 1 5 46.37 1.958 12 0.011 2 2 23.49 3.788 12 4.8 1 1 6 36.65 2.452 12 0.03 1 4 5 46.37 1.958 12 0.161 0 4 23.77 3.743 12 0.42 3 0 5 36.92 2.435 12 0.26 1 0 8 46.53 1.952 12 0.033 0 1 24.06 3.698 12 0.07 2 0 6 37.52 2.397 12 0.12 3 0 7 46.69 1.945 12 0.033 0 2 25.99 3.429 12 0.73 1 4 2 37.88 2.375 12 0.19 3 3 4 47.33 1.921 12 0.061 1 4 26.25 3.395 12 0.04 4 1 2 37.88 2.375 12 0.29 5 1 3 47.59 1.911 12 0.101 2 3 26.68 3.341 12 3.6 3 2 3 38.38 2.345 12 0.27 1 5 3 47.59 1.911 12 0.042 1 3 26.68 3.341 12 0.22 2 3 3 38.38 2.345 12 0.48 6 0 0 47.83 1.902 6 0.772 2 0 27.07 3.294 6 2.4 4 0 4 38.90 2.315 12 0.04 1 1 8 47.95 1.897 12 0.652 2 1 27.66 3.225 12 2.6 2 2 5 39.45 2.284 12 0.15 4 2 4 48.04 1.894 12 0.331 3 0 28.20 3.165 6 0.03 5 0 0 39.49 2.282 6 0.04 2 4 4 48.04 1.894 12 0.143 1 0 28.20 3.165 6 0.05 5 0 1 39.91 2.259 12 0.02 6 0 1 48.20 1.888 12 0.023 1 1 28.77 3.103 12 2.2 1 2 6 40.03 2.252 12 0.45 2 0 8 48.65 1.871 12 0.381 3 1 28.77 3.103 12 0.05 4 1 3 40.03 2.252 12 0.02 2 2 7 48.81 1.866 12 0.073 0 3 28.93 3.087 12 0.26 1 4 3 40.03 2.252 12 0.30 4 3 1 48.89 1.863 12 0.461 0 5 29.24 3.054 12 2.2 1 3 5 40.27 2.239 12 0.02 3 4 1 48.89 1.863 12 0.012 2 2 29.37 3.041 12 1.2 5 0 2 41.16 2.193 12 0.09 2 3 6 48.99 1.859 12 0.313 1 2 30.41 2.939 12 0.91 2 3 4 41.34 2.184 12 0.12 3 2 6 48.99 1.859 12 0.141 3 2 30.41 2.939 12 0.18 3 2 4 41.34 2.184 12 0.13 5 0 5 49.20 1.852 12 0.051 2 4 30.64 2.918 12 1.7 3 3 1 41.52 2.175 12 0.07 6 0 2 49.28 1.849 12 0.021 1 5 31.32 2.856 12 2.0 3 0 6 41.63 2.169 12 0.12 1 3 7 49.50 1.841 12 0.064 0 0 31.36 2.852 6 0.67 4 2 0 41.90 2.156 6 0.34 2 5 0 49.91 1.827 6 0.014 0 1 31.88 2.807 12 0.03 2 4 0 41.90 2.156 6 0.44 5 2 0 49.91 1.827 6 0.082 2 3 32.02 2.795 12 0.78 1 1 7 42.21 2.141 12 0.55 3 4 2 49.96 1.825 12 0.062 0 5 32.31 2.771 12 0.67 4 2 1 42.30 2.137 12 0.34 4 3 2 49.96 1.825 12 0.143 0 4 32.64 2.744 12 0.84 4 0 5 42.64 2.120 12 0.23

MEI

ZSM

-18,SiO

2Fram

ework

504030201002 theta (°)

18

16

14

12

10

8

6

4

2

0

MEL ZSM-11, Calcined




X-ray Rietveld refinement, Rp = 0.13

REFERENCE: C. A. Fyfe, H. Gies, G. T. Kokotailo, C. Pasztor, H. Strobl andD. E. Cox, J. Am. Chem. Soc. 111 2470–2474 (1989).


1 1 0 6.23 14.190 4 2.4 6 3 1 30.62 2.920 16 0.19 8 1 3 41.52 2.175 16 0.091 0 1 7.93 11.150 8 100.0 6 2 2 31.18 2.868 16 0.13 7 4 3 41.52 2.175 16 0.072 0 0 8.81 10.033 4 53.6 5 2 3 31.25 2.862 16 2.2 7 1 4 41.70 2.166 16 0.102 1 1 11.87 7.458 16 3.9 7 1 0 31.52 2.838 8 0.10 5 5 4 41.70 2.166 8 0.182 2 0 12.48 7.095 4 0.37 5 5 0 31.52 2.838 4 0.61 7 6 1 42.05 2.148 16 0.050 0 2 13.20 6.706 2 9.2 7 0 1 31.92 2.803 8 0.24 6 4 4 42.20 2.141 16 0.051 1 2 14.61 6.063 8 0.65 4 0 4 32.11 2.788 8 0.39 8 4 2 42.49 2.128 16 0.173 0 1 14.80 5.986 8 15.5 3 3 4 32.74 2.735 8 0.16 9 3 0 42.75 2.115 8 0.082 0 2 15.90 5.575 8 8.0 4 2 4 33.36 2.686 16 0.06 3 1 6 42.90 2.108 16 0.423 2 1 17.25 5.140 16 3.6 1 0 5 33.71 2.659 8 0.47 8 5 1 43.06 2.101 16 0.204 0 0 17.68 5.017 4 7.1 6 1 3 33.77 2.654 16 0.15 6 1 5 43.48 2.081 16 0.122 2 2 18.20 4.873 8 0.06 7 3 0 34.02 2.635 8 0.40 8 3 3 43.53 2.079 16 1.33 3 0 18.76 4.730 4 1.6 7 1 2 34.31 2.613 16 0.32 7 3 4 43.69 2.072 16 0.273 1 2 19.26 4.609 16 3.7 5 5 2 34.31 2.613 8 2.3 4 0 6 44.37 2.042 8 0.144 1 1 19.40 4.575 16 0.30 6 4 2 34.91 2.570 16 0.09 5 4 5 44.46 2.038 16 0.094 2 0 19.79 4.487 8 0.17 2 1 5 34.91 2.570 16 0.10 7 7 0 44.70 2.027 4 0.051 0 3 20.35 4.363 8 3.2 5 4 3 34.96 2.566 16 0.26 3 3 6 44.85 2.021 8 0.414 0 2 22.13 4.017 8 0.21 5 1 4 35.16 2.552 16 1.4 9 3 2 44.93 2.017 16 0.052 1 3 22.22 4.001 16 0.60 6 5 1 35.58 2.523 16 0.40 9 4 1 45.00 2.014 16 0.225 1 0 22.59 3.935 8 1.2 8 0 0 35.80 2.508 4 1.4 8 0 4 45.14 2.008 8 3.63 3 2 23.01 3.865 8 1.2 3 0 5 36.08 2.490 8 1.6 10 0 0 45.18 2.007 4 4.74 3 1 23.13 3.845 16 0.28 6 3 3 36.13 2.486 16 0.56 8 6 0 45.18 2.007 8 0.235 0 1 23.13 3.845 8 52.5 7 3 2 36.64 2.452 16 0.46 6 3 5 45.42 1.997 16 0.044 2 2 23.86 3.729 16 0.12 8 1 1 36.72 2.447 16 0.35 9 0 3 45.46 1.995 8 0.053 0 3 23.94 3.717 8 22.7 7 4 1 36.72 2.447 16 0.04 10 1 1 45.95 1.975 16 0.365 2 1 24.80 3.590 16 5.1 8 2 0 36.94 2.433 8 0.43 8 2 4 46.09 1.969 16 0.924 4 0 25.10 3.547 4 0.47 3 2 5 37.21 2.416 16 0.21 10 2 0 46.13 1.968 8 0.363 2 3 25.56 3.485 16 2.6 7 0 3 37.26 2.413 8 1.3 7 0 5 46.36 1.959 8 0.165 3 0 25.89 3.441 8 0.12 5 3 4 37.45 2.402 16 1.9 7 6 3 46.40 1.957 16 0.045 1 2 26.26 3.394 16 2.1 6 0 4 38.00 2.368 8 0.19 5 1 6 46.74 1.944 16 0.100 0 4 26.59 3.353 2 2.4 8 0 2 38.31 2.349 8 0.09 10 0 2 47.28 1.922 8 0.266 0 0 26.65 3.345 4 2.7 7 2 3 38.36 2.346 16 0.07 8 5 3 47.33 1.921 16 1.24 1 3 27.08 3.292 16 0.09 7 5 0 38.59 2.333 8 0.23 7 5 4 47.48 1.915 16 0.211 1 4 27.33 3.263 8 0.52 8 3 1 38.93 2.313 16 0.79 1 0 7 47.68 1.907 8 0.106 1 1 27.85 3.203 16 0.36 6 2 4 39.09 2.305 16 0.03 10 3 1 47.80 1.903 16 0.162 0 4 28.06 3.180 8 2.0 8 2 2 39.39 2.288 16 0.22 4 4 6 48.11 1.891 8 0.076 2 0 28.12 3.173 8 0.08 8 4 0 40.19 2.244 8 0.07 10 2 2 48.20 1.888 16 0.204 4 2 28.46 3.136 8 0.03 0 0 6 40.35 2.235 2 0.23 5 3 6 48.57 1.875 16 2.45 3 2 29.17 3.062 16 7.6 4 3 5 40.45 2.230 16 0.06 2 1 7 48.59 1.874 16 0.055 4 1 29.26 3.052 16 0.43 5 0 5 40.45 2.230 8 0.12 9 5 2 48.65 1.872 16 0.052 2 4 29.47 3.031 8 0.03 6 5 3 40.49 2.228 16 0.28 8 7 1 48.71 1.869 16 0.466 0 2 29.85 2.993 8 0.07 7 5 2 40.96 2.203 16 0.99 8 4 4 48.84 1.865 16 0.344 3 3 29.92 2.986 16 0.32 9 0 1 41.03 2.199 8 0.40 3 0 7 49.49 1.842 8 0.665 0 3 29.92 2.986 8 9.6 2 0 6 41.38 2.182 8 0.29 9 6 1 49.61 1.838 16 0.043 1 4 30.15 2.964 16 0.66 5 2 5 41.48 2.177 16 0.25 8 1 5 49.99 1.824 16 0.16

MEL

ZSM

-11,Calcined

504030201002 theta (°)

60

50

40

30

20

10

0

MEL DDP-stabilized ZSM-11

CHEMICAL COMPOSITION: |DDP3.95| [Si96O192]DDP = N,N -diethyl-3,5-dimethylpiperidinium


CRYSTAL DATA: I4m2 (No. 119)a = 20.049 A b = 20.049 A c = 13.379 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: H. van Koningsveld, M. J. den Exter, J. H. Koegler, C. D. Laman,S. L. Njo and H. Graafsma,Proc. 12th Int. Zeolite Conf. IV2419–2424 (1999) Eds. M.M.J. Treacy, B.K. Marcus, M.E. Bisherand J.B. Higgins, Materials Research Society.


1 1 0 6.23 14.177 4 1.0 4 3 3 29.97 2.982 16 0.39 9 0 1 41.08 2.197 8 0.091 0 1 7.94 11.129 8 100.0 3 1 4 30.21 2.958 16 0.70 2 0 6 41.49 2.177 8 0.222 0 0 8.82 10.024 4 56.3 6 3 1 30.65 2.917 16 0.23 5 2 5 41.56 2.173 16 0.232 1 1 11.88 7.448 16 3.8 6 2 2 31.22 2.865 16 0.10 8 1 3 41.58 2.172 16 0.162 2 0 12.49 7.088 4 0.26 5 2 3 31.30 2.858 16 1.6 5 5 4 41.76 2.163 8 0.040 0 2 13.23 6.689 2 10.2 5 5 0 31.55 2.835 4 0.28 7 1 4 41.76 2.163 16 0.073 1 0 13.97 6.340 8 0.02 7 1 0 31.55 2.835 8 0.03 7 6 1 42.10 2.146 16 0.031 1 2 14.64 6.050 8 0.78 7 0 1 31.95 2.801 8 0.47 9 2 1 42.10 2.146 16 0.023 0 1 14.82 5.979 8 14.6 4 0 4 32.17 2.782 8 0.15 8 4 2 42.53 2.125 16 0.092 0 2 15.93 5.564 8 8.9 3 3 4 32.80 2.730 8 0.09 3 1 6 43.00 2.104 16 0.353 2 1 17.27 5.135 16 4.1 7 2 1 33.21 2.697 16 0.04 8 5 1 43.10 2.099 16 0.124 0 0 17.69 5.012 4 4.4 4 2 4 33.42 2.681 16 0.05 6 1 5 43.57 2.077 16 0.042 2 2 18.23 4.865 8 0.04 1 0 5 33.79 2.652 8 0.32 8 3 3 43.58 2.077 16 1.23 3 0 18.78 4.726 4 2.1 6 1 3 33.82 2.651 16 0.08 7 3 4 43.76 2.069 16 0.193 1 2 19.29 4.602 16 3.2 7 3 0 34.06 2.633 8 0.65 4 0 6 44.47 2.037 8 0.024 1 1 19.42 4.570 16 0.27 5 5 2 34.35 2.611 8 2.1 5 4 5 44.54 2.034 16 0.124 2 0 19.80 4.483 8 0.31 7 1 2 34.35 2.611 16 0.14 7 7 0 44.75 2.025 4 0.041 0 3 20.40 4.353 8 3.3 2 1 5 34.99 2.564 16 0.15 3 3 6 44.95 2.017 8 0.254 0 2 22.16 4.011 8 0.02 5 4 3 35.01 2.563 16 0.05 8 0 4 45.21 2.006 8 3.22 1 3 22.26 3.993 16 0.59 5 1 4 35.23 2.548 16 0.86 8 6 0 45.23 2.005 8 0.105 1 0 22.61 3.932 8 0.51 6 5 1 35.61 2.521 16 0.27 10 0 0 45.23 2.005 4 3.93 3 2 23.04 3.860 8 1.5 8 0 0 35.83 2.506 4 1.3 6 3 5 45.50 1.994 16 0.055 0 1 23.16 3.841 8 48.4 3 0 5 36.16 2.484 8 1.6 10 1 1 46.00 1.973 16 0.284 3 1 23.16 3.841 16 0.08 6 3 3 36.18 2.483 16 0.45 8 2 4 46.16 1.967 16 0.664 2 2 23.89 3.724 16 0.13 7 3 2 36.68 2.450 16 0.72 10 2 0 46.17 1.966 8 0.283 0 3 23.99 3.710 8 20.9 8 1 1 36.76 2.445 16 0.24 7 0 5 46.44 1.955 8 0.275 2 1 24.82 3.587 16 4.9 8 2 0 36.97 2.431 8 0.36 7 6 3 46.46 1.955 16 0.014 4 0 25.13 3.544 4 0.02 3 2 5 37.29 2.411 16 0.22 5 1 6 46.84 1.940 16 0.023 2 3 25.60 3.479 16 2.3 7 0 3 37.31 2.410 8 1.3 10 0 2 47.33 1.920 8 0.215 3 0 25.91 3.438 8 0.07 5 3 4 37.51 2.398 16 1.7 8 5 3 47.38 1.918 16 1.25 1 2 26.29 3.390 16 2.0 6 0 4 38.07 2.364 8 0.23 7 5 4 47.55 1.912 16 0.090 0 4 26.65 3.345 2 2.0 6 6 0 38.08 2.363 4 0.02 1 0 7 47.80 1.903 8 0.076 0 0 26.68 3.341 4 2.9 8 0 2 38.35 2.347 8 0.06 10 3 1 47.85 1.901 16 0.084 1 3 27.13 3.287 16 0.03 7 2 3 38.42 2.343 16 0.08 10 2 2 48.25 1.886 16 0.171 1 4 27.40 3.255 8 0.26 7 5 0 38.63 2.331 8 0.10 5 3 6 48.67 1.871 16 2.16 1 1 27.88 3.200 16 0.21 8 3 1 38.97 2.311 16 0.86 2 1 7 48.71 1.869 16 0.052 0 4 28.12 3.173 8 2.4 6 2 4 39.15 2.301 16 0.04 8 7 1 48.76 1.868 16 0.256 2 0 28.15 3.170 8 0.03 8 2 2 39.43 2.285 16 0.14 8 4 4 48.91 1.862 16 0.145 3 2 29.20 3.058 16 7.1 0 0 6 40.45 2.230 2 0.18 10 4 0 48.93 1.862 8 0.045 4 1 29.29 3.049 16 0.30 4 3 5 40.53 2.226 16 0.04 6 0 6 49.12 1.855 8 0.012 2 4 29.53 3.025 8 0.02 5 0 5 40.53 2.226 8 0.05 6 5 5 49.18 1.852 16 0.016 0 2 29.89 2.989 8 0.24 6 5 3 40.55 2.225 16 0.14 9 1 4 49.36 1.846 16 0.015 0 3 29.97 2.982 8 8.8 7 5 2 41.01 2.201 16 0.51 3 0 7 49.61 1.838 8 0.55

MEL

DD

P-stabilized

ZSM

-11

504030201002 theta (°)

60

50

40

30

20

10

0

MEP Melanophlogite

CHEMICAL COMPOSITION: |(CH4,N2)2(CO2,N2)6| [Si46O92]Mt. Hamilton, California, U.S.A.


CRYSTAL DATA: Pm3n (No. 223)a = 13.436 A b = 13.436 A c = 13.436 Aα = 90◦ β = 90◦ γ = 90◦




1 1 0 9.31 9.501 12 9.3 4 3 0 33.34 2.687 24 2.3 5 4 1 43.66 2.073 48 3.72 0 0 13.18 6.718 6 15.2 5 1 0 34.02 2.635 24 1.1 6 3 0 45.27 2.003 24 0.332 1 0 14.74 6.009 24 100.0 5 2 0 36.00 2.495 24 0.19 5 4 2 45.27 2.003 48 2.22 1 1 16.16 5.485 24 75.2 4 3 2 36.00 2.495 48 9.6 6 3 1 45.80 1.981 48 2.83 1 0 20.91 4.249 24 2.7 5 2 1 36.63 2.453 48 0.15 4 4 4 46.85 1.939 8 2.92 2 2 22.93 3.879 8 34.7 4 4 0 37.88 2.375 12 1.5 6 3 2 47.36 1.919 48 0.963 2 0 23.88 3.726 24 21.4 5 3 0 39.09 2.304 24 7.6 7 1 0 47.87 1.900 24 0.253 2 1 24.79 3.591 48 88.1 4 3 3 39.09 2.304 24 3.1 5 5 0 47.87 1.900 12 1.94 0 0 26.54 3.359 6 2.2 5 3 1 39.69 2.271 48 2.2 6 4 0 48.88 1.863 24 0.044 1 0 27.37 3.259 24 24.2 4 4 2 40.27 2.239 24 0.97 7 2 0 49.38 1.846 24 0.844 1 1 28.18 3.167 24 0.96 6 0 0 40.27 2.239 6 3.7 6 4 1 49.38 1.846 48 0.313 3 0 28.18 3.167 12 15.3 6 1 0 40.85 2.209 24 1.0 7 2 1 49.87 1.828 48 0.274 2 0 29.74 3.004 24 0.51 6 1 1 41.43 2.180 24 0.19 5 5 2 49.87 1.828 24 0.144 2 1 30.49 2.932 48 12.7 5 3 2 41.43 2.180 48 4.3 6 3 3 49.87 1.828 24 2.33 3 2 31.22 2.865 24 4.6 6 2 0 42.55 2.124 24 0.014 2 2 32.65 2.743 24 2.0 5 4 0 43.11 2.098 24 0.29

MEP

Melanophlogite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

MER Merlinoite

CHEMICAL COMPOSITION: |Na0.55K4.21Ca1.49Ba0.43(H2O)22.74| [Si22.69Al9.31O64]Cupaello, Italy

REFINED COMPOSITION: |Na0.68K5.28Ca1.844Ba0.444(H2O)19.44| [Si22.72Al9.28O64]



REFERENCE: E. Galli, G. Gottardi and D. Pongiluppi,Neues Jahrb. Miner. Monatsh. 1 1–9 (1979).


1 1 0 8.82 10.021 4 12.4 4 3 1 32.89 2.723 8 6.5 3 6 1 43.70 2.071 8 0.700 1 1 10.85 8.152 4 26.1 0 3 3 32.96 2.717 4 26.1 2 5 3 43.84 2.065 8 1.81 0 1 10.88 8.131 4 10.7 5 0 1 32.98 2.716 4 32.3 6 3 1 43.91 2.062 8 4.40 2 0 12.44 7.114 2 88.3 3 0 3 33.05 2.710 4 4.7 5 2 3 44.01 2.058 8 1.12 0 0 12.54 7.058 2 73.5 2 4 2 33.47 2.677 8 5.3 2 6 2 44.21 2.048 8 2.71 2 1 16.56 5.354 8 80.9 4 2 2 33.59 2.668 8 16.4 0 4 4 44.45 2.038 4 0.662 1 1 16.61 5.336 8 61.2 2 5 1 35.18 2.551 8 27.4 6 2 2 44.46 2.038 8 1.32 2 0 17.70 5.011 4 44.3 5 2 1 35.38 2.537 8 12.1 4 0 4 44.58 2.033 4 0.930 0 2 17.84 4.973 2 46.8 2 3 3 35.40 2.536 8 0.32 1 7 0 45.06 2.012 4 0.631 3 0 19.75 4.496 4 1.4 3 2 3 35.44 2.533 8 14.8 5 5 0 45.24 2.004 4 6.63 1 0 19.87 4.467 4 34.5 4 4 0 35.84 2.505 4 8.2 7 1 0 45.42 1.997 4 2.81 1 2 19.93 4.455 8 0.17 0 0 4 36.12 2.487 2 2.9 3 3 4 45.47 1.995 8 0.320 3 1 20.75 4.281 4 41.2 3 5 0 36.91 2.435 4 0.73 0 7 1 45.55 1.992 4 0.233 0 1 20.88 4.253 4 1.1 1 5 2 36.95 2.433 8 10.2 7 0 1 45.92 1.976 4 7.10 2 2 21.80 4.076 4 12.4 5 3 0 37.06 2.426 4 4.9 0 1 5 46.07 1.970 4 4.22 0 2 21.86 4.065 4 21.7 5 1 2 37.16 2.419 8 1.0 1 0 5 46.08 1.970 4 0.912 3 1 24.32 3.660 8 10.5 1 1 4 37.26 2.413 8 1.3 4 6 0 46.11 1.968 4 0.353 2 1 24.38 3.651 8 32.4 1 4 3 37.63 2.390 8 10.4 6 4 0 46.26 1.962 4 1.50 4 0 25.03 3.557 2 1.6 4 1 3 37.76 2.382 8 2.5 2 4 4 46.37 1.958 8 4.22 2 2 25.23 3.530 8 0.90 0 6 0 37.94 2.372 2 0.25 4 2 4 46.46 1.954 8 0.864 0 0 25.24 3.529 2 6.1 6 0 0 38.25 2.353 2 1.8 2 7 1 47.43 1.917 8 1.73 3 0 26.69 3.340 4 1.5 0 2 4 38.35 2.347 4 1.0 1 6 3 47.58 1.911 8 2.91 3 2 26.73 3.335 8 0.02 2 0 4 38.38 2.345 4 0.18 7 2 1 47.76 1.904 8 0.113 1 2 26.83 3.323 8 0.62 1 6 1 39.58 2.277 8 2.2 6 1 3 47.84 1.901 8 0.621 4 1 27.37 3.259 8 67.2 2 6 0 40.11 2.248 4 0.08 1 2 5 47.92 1.898 8 1.64 1 1 27.54 3.239 8 33.6 4 4 2 40.31 2.237 8 0.65 2 1 5 47.94 1.898 8 2.40 1 3 27.63 3.229 4 48.4 2 2 4 40.50 2.227 8 0.12 3 7 0 48.80 1.866 4 0.261 0 3 27.64 3.228 4 57.7 3 5 2 41.28 2.187 8 0.21 1 7 2 48.83 1.865 8 1.92 4 0 28.09 3.177 4 100.0 5 3 2 41.41 2.180 8 12.9 5 5 2 49.00 1.859 8 0.754 2 0 28.23 3.161 4 76.4 1 3 4 41.50 2.176 8 4.2 1 5 4 49.08 1.856 8 4.21 2 3 30.41 2.939 8 63.1 3 1 4 41.57 2.173 8 2.5 7 3 0 49.09 1.856 4 0.052 1 3 30.44 2.936 8 75.5 4 5 1 41.77 2.162 8 0.63 7 1 2 49.17 1.853 8 3.20 4 2 30.91 2.893 4 0.45 0 5 3 41.83 2.159 4 0.34 5 1 4 49.25 1.850 8 1.24 0 2 31.07 2.878 4 0.15 5 4 1 41.85 2.159 8 0.05 4 5 3 49.48 1.842 8 7.71 5 0 32.08 2.790 4 0.13 3 4 3 41.91 2.156 8 4.8 5 4 3 49.55 1.840 8 0.423 3 2 32.28 2.773 8 3.6 4 3 3 41.96 2.153 8 0.51 0 3 5 49.70 1.834 4 3.05 1 0 32.33 2.769 4 19.8 5 0 3 42.03 2.149 4 1.5 3 0 5 49.76 1.832 4 0.110 5 1 32.73 2.736 4 8.4 0 6 2 42.22 2.141 4 1.8 4 6 2 49.82 1.830 8 0.663 4 1 32.82 2.729 8 38.2 6 0 2 42.51 2.127 4 0.25 6 4 2 49.96 1.825 8 1.0

MER

Merlinoite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

MER Barium Chloroaluminosilicate

CHEMICAL COMPOSITION: |Ba4(H2O)12(BaCl2)4| [Si21.33Al10.67O64]

REFINED COMPOSITION: |(Ba3Cl2O)4| [Si21.34Al10.66O64]

CRYSTAL DATA: I 4/m mm (No. 139)a = 14.194 A b = 14.194 A c = 9.234 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: L. P. Solov’eva, S. V. Borisov and V. V. Bakakin,Sov. Phys. – Crystallogr. 16 1035–1038 (1972).


1 1 0 8.81 10.037 4 0.58 4 3 1 33.01 2.713 16 36.4 2 2 4 43.13 2.097 8 2.11 0 1 11.43 7.740 8 25.9 5 0 1 33.01 2.713 8 7.7 5 0 3 43.36 2.087 8 3.32 0 0 12.47 7.097 4 0.84 3 3 2 33.07 2.709 8 23.3 4 3 3 43.36 2.087 16 4.12 1 1 16.95 5.231 16 1.5 4 2 2 34.28 2.615 16 44.2 6 3 1 43.90 2.062 16 23.42 2 0 17.67 5.018 4 25.8 3 0 3 34.77 2.580 8 1.2 3 1 4 44.11 2.053 16 4.40 0 2 19.22 4.617 2 0.30 5 2 1 35.42 2.535 16 37.0 6 2 2 44.91 2.018 16 0.183 1 0 19.78 4.489 8 55.4 4 4 0 35.79 2.509 4 0.40 5 5 0 45.17 2.007 4 0.073 0 1 21.10 4.211 8 100.0 5 3 0 36.93 2.434 8 3.8 7 1 0 45.17 2.007 8 1.71 1 2 21.18 4.194 8 36.2 3 2 3 37.07 2.425 16 0.19 5 2 3 45.29 2.002 16 6.32 0 2 22.98 3.870 8 0.45 5 1 2 37.73 2.384 16 33.6 7 0 1 45.81 1.981 8 1.43 2 1 24.58 3.621 16 0.23 6 0 0 38.04 2.366 4 8.3 6 4 0 46.11 1.968 8 1.64 0 0 25.09 3.549 4 5.3 0 0 4 39.02 2.309 2 6.3 4 0 4 46.95 1.935 8 1.22 2 2 26.23 3.398 8 39.3 4 1 3 39.26 2.295 16 4.1 7 2 1 47.67 1.908 16 0.253 3 0 26.64 3.346 4 36.3 6 1 1 39.85 2.262 16 3.3 3 3 4 47.87 1.900 8 3.94 1 1 27.65 3.226 16 35.5 1 1 4 40.08 2.250 8 1.4 4 2 4 48.78 1.867 16 2.93 1 2 27.72 3.218 16 1.8 6 2 0 40.18 2.244 8 1.4 7 3 0 48.87 1.864 8 0.834 2 0 28.11 3.174 8 29.6 4 4 2 40.93 2.205 8 1.2 6 1 3 48.98 1.860 16 1.31 0 3 29.70 3.008 8 21.0 2 0 4 41.12 2.195 8 3.9 5 5 2 49.51 1.841 8 3.84 0 2 31.80 2.814 8 3.9 5 4 1 41.91 2.155 16 0.99 7 1 2 49.51 1.841 16 0.225 1 0 32.15 2.784 8 10.9 5 3 2 41.96 2.153 16 0.29 1 0 5 49.79 1.831 8 0.962 1 3 32.32 2.770 16 79.3 6 0 2 42.96 2.105 8 3.8

MER

Barium

Chloroalum

inosilicate

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

MFI Tetrapropylammonium ZSM-5

CHEMICAL COMPOSITION: |((C3H7)4NOH)4| [Si95.7Al0.3O192](C3H7)4NOH = tetrapropylammonium hydroxide


CRYSTAL DATA: Pnma (No. 62)a = 20.022 A b = 19.899 A c = 13.383 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: H. van Koningsveld, H. van Bekkum and J. C. Jansen,Acta Cryst. B43 127–132 (1987).


1 0 1 7.95 11.126 4 68.4 0 5 1 23.32 3.815 4 78.7 6 5 0 35.09 2.557 4 0.990 1 1 7.96 11.105 4 50.3 1 5 1 23.74 3.747 8 31.0 5 1 4 35.24 2.546 8 1.42 0 0 8.83 10.011 2 31.3 3 0 3 23.99 3.709 4 47.7 1 5 4 35.33 2.540 8 0.970 2 0 8.89 9.950 2 36.8 0 3 3 24.04 3.702 4 4.0 5 6 1 35.79 2.509 8 0.541 1 1 9.11 9.711 8 25.4 2 5 0 24.06 3.698 4 1.8 8 0 0 35.88 2.503 2 2.62 1 0 9.89 8.943 4 4.7 1 3 3 24.45 3.640 8 39.7 0 8 0 36.11 2.487 2 1.92 0 1 11.04 8.016 4 1.0 5 2 1 24.87 3.579 8 1.2 3 0 5 36.16 2.484 4 1.92 1 1 11.90 7.436 8 2.8 3 2 3 25.63 3.475 8 3.0 0 3 5 36.19 2.482 4 2.11 2 1 11.93 7.417 8 10.4 2 3 3 25.66 3.472 8 0.62 2 5 4 36.20 2.481 8 1.002 2 0 12.54 7.057 4 5.4 4 3 2 25.97 3.430 8 13.6 3 6 3 36.34 2.472 8 0.600 0 2 13.23 6.692 2 6.8 5 1 2 26.32 3.386 8 1.3 4 7 0 36.34 2.472 4 0.951 0 2 13.95 6.346 4 17.4 1 5 2 26.43 3.372 8 1.6 8 1 1 36.81 2.442 8 0.891 1 2 14.65 6.046 8 8.6 0 0 4 26.64 3.346 2 1.2 8 2 0 37.04 2.427 4 1.03 0 1 14.83 5.973 4 10.9 6 0 0 26.71 3.337 2 2.7 2 8 0 37.25 2.414 4 0.520 3 1 14.91 5.943 4 4.1 4 0 3 26.77 3.330 4 5.9 7 0 3 37.35 2.408 4 2.73 1 1 15.49 5.720 8 0.85 0 6 0 26.88 3.316 2 2.9 5 3 4 37.56 2.394 8 0.841 3 1 15.55 5.697 8 10.0 1 0 4 27.02 3.300 4 9.6 3 5 4 37.62 2.391 8 2.32 0 2 15.93 5.563 4 6.2 1 1 4 27.40 3.256 8 0.73 6 5 2 37.66 2.389 8 2.10 2 2 15.96 5.553 4 5.6 6 0 1 27.55 3.238 4 0.67 1 7 3 37.79 2.380 8 1.62 3 0 16.03 5.529 4 3.5 3 3 3 27.55 3.237 8 1.6 8 0 2 38.40 2.344 4 0.862 1 2 16.55 5.358 8 1.8 2 5 2 27.56 3.237 8 2.1 4 7 2 38.84 2.319 8 1.61 2 2 16.57 5.351 8 1.5 1 6 1 28.07 3.178 8 0.68 0 0 6 40.44 2.230 2 0.643 2 1 17.32 5.121 8 3.5 2 0 4 28.12 3.173 4 1.3 4 8 1 41.08 2.197 8 1.32 3 1 17.35 5.110 8 0.53 4 2 3 28.26 3.158 8 0.66 3 5 5 42.91 2.107 8 0.624 0 0 17.72 5.005 2 2.6 1 2 4 28.50 3.132 8 2.4 3 1 6 43.00 2.104 8 0.820 4 0 17.83 4.975 2 5.6 4 5 0 28.66 3.115 4 0.88 6 0 5 43.33 2.088 4 0.553 1 2 19.31 4.598 8 8.4 3 5 2 29.34 3.044 8 11.9 8 3 3 43.66 2.073 8 1.51 3 2 19.36 4.586 8 2.1 5 4 1 29.40 3.038 8 0.82 8 0 4 45.25 2.004 4 5.74 1 1 19.45 4.563 8 0.78 4 5 1 29.44 3.034 8 0.60 10 0 0 45.29 2.002 2 5.84 2 0 19.86 4.472 4 0.51 6 3 0 29.97 2.981 4 1.2 0 8 4 45.44 1.996 4 2.63 3 1 20.00 4.438 8 2.6 5 0 3 29.99 2.980 4 7.4 4 8 3 45.51 1.993 8 3.21 0 3 20.40 4.354 4 4.7 3 4 3 30.05 2.973 8 1.1 0 10 0 45.59 1.990 2 7.50 1 3 20.40 4.353 4 7.1 0 5 3 30.09 2.970 4 9.1 1 8 4 45.67 1.986 8 2.42 3 2 20.84 4.262 8 3.2 3 1 4 30.22 2.958 8 0.86 1 10 1 46.35 1.959 8 0.611 1 3 20.88 4.254 8 3.9 1 5 3 30.43 2.938 8 7.3 2 8 4 46.38 1.958 8 0.724 2 1 20.95 4.241 8 8.9 5 2 3 31.33 2.855 8 1.8 4 3 6 46.64 1.948 8 2.92 0 3 21.81 4.075 4 3.0 4 0 4 32.18 2.782 4 0.53 8 5 3 47.51 1.914 8 1.64 3 0 22.25 3.995 4 5.6 0 4 4 32.24 2.776 4 0.60 3 8 4 47.54 1.912 8 1.20 4 2 22.27 3.992 4 0.74 6 3 2 32.89 2.723 8 4.5 0 10 2 47.68 1.907 4 0.621 2 3 22.29 3.989 8 1.8 6 0 3 33.54 2.672 4 1.1 9 3 3 47.69 1.907 8 1.94 1 2 22.63 3.929 8 0.66 1 0 5 33.78 2.653 4 0.55 5 3 6 48.70 1.870 8 1.81 4 2 22.71 3.915 8 0.55 5 5 2 34.48 2.601 8 6.4 3 5 6 48.75 1.868 8 3.43 3 2 23.11 3.849 8 4.0 2 0 5 34.69 2.586 4 0.87 3 0 7 49.60 1.838 4 0.705 0 1 23.18 3.836 4 100.0 7 3 1 34.81 2.577 8 1.8 0 3 7 49.62 1.837 4 0.664 3 1 23.23 3.829 8 0.84 4 3 4 34.98 2.565 8 1.7 8 0 5 49.88 1.828 4 0.61

MFI

Tetrapropylam

monium

ZSM

-5

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

MFI ZSM-5, Calcined



CRYSTAL DATA: P1 21/n 1 (No. 14; unique axis b, cell choice 2)a = 19.879 A b = 20.107 A c = 13.369 Aα = 90◦ β = 90.67◦ γ = 90◦


REFERENCE: H. van Koningsveld, J. C. Jansen and H. van Bekkum,Zeolites 10 235–242 (1990).


-1 0 1 7.93 11.153 2 37.1 -5 0 1 23.27 3.823 2 16.1 5 4 2 31.78 2.816 4 0.450 1 1 7.94 11.132 4 100.0 5 0 1 23.42 3.798 2 18.2 -7 0 1 32.15 2.784 2 0.681 0 1 8.01 11.033 2 31.9 -5 1 1 23.69 3.756 4 8.1 -3 6 2 32.74 2.735 4 1.60 2 0 8.80 10.054 2 47.8 5 1 1 23.84 3.732 4 10.4 3 6 2 32.87 2.724 4 1.22 0 0 8.90 9.939 2 51.6 -3 0 3 23.93 3.718 2 1.4 3 3 4 32.99 2.715 4 0.44

-1 1 1 9.07 9.753 4 13.9 0 3 3 23.98 3.711 4 23.0 0 6 3 33.46 2.678 4 1.31 1 1 9.14 9.673 4 14.1 5 2 0 24.07 3.697 4 0.86 -1 0 5 33.77 2.654 2 0.891 2 0 9.86 8.971 4 1.4 3 0 3 24.20 3.678 2 2.1 0 7 2 33.97 2.639 4 0.400 2 1 11.01 8.035 4 1.2 -3 1 3 24.35 3.656 4 7.6 -5 5 2 34.34 2.612 4 1.6

-2 1 1 11.88 7.450 4 1.1 3 1 3 24.61 3.618 4 8.2 5 5 2 34.55 2.596 4 1.12 1 1 11.99 7.378 4 0.56 -2 5 1 24.77 3.595 4 1.0 -3 7 1 34.66 2.588 4 0.882 2 0 12.52 7.068 4 0.49 2 5 1 24.82 3.587 4 0.53 -5 1 4 35.16 2.552 4 0.560 0 2 13.25 6.684 2 7.3 -2 3 3 25.54 3.488 4 1.5 -1 5 4 35.17 2.552 4 0.900 1 2 13.96 6.343 4 11.0 -3 2 3 25.54 3.487 4 0.42 0 8 0 35.72 2.513 2 1.6

-1 1 2 14.61 6.062 4 0.65 2 3 3 25.71 3.465 4 0.88 8 0 0 36.15 2.485 2 1.10 3 1 14.79 5.991 4 13.7 3 2 3 25.79 3.454 4 0.99 0 3 5 36.17 2.483 4 1.4

-3 0 1 14.85 5.964 2 2.7 -3 4 2 25.85 3.446 4 3.1 7 4 0 36.34 2.472 4 0.663 0 1 14.99 5.909 2 4.9 3 4 2 26.02 3.425 4 4.1 -3 1 5 36.36 2.471 4 0.58

-3 1 1 15.50 5.718 4 5.0 -1 5 2 26.22 3.399 4 1.2 3 0 5 36.38 2.469 2 0.433 1 1 15.63 5.669 4 5.0 -5 1 2 26.32 3.385 4 0.42 2 8 0 36.89 2.437 4 0.45

-2 0 2 15.89 5.577 2 2.0 5 1 2 26.59 3.352 4 0.67 0 7 3 37.24 2.414 4 1.30 2 2 15.92 5.566 4 6.1 0 6 0 26.60 3.351 2 2.8 -5 3 4 37.44 2.402 4 0.453 2 0 16.02 5.532 4 1.3 6 0 0 26.91 3.313 2 2.7 -5 6 2 37.50 2.399 4 0.802 0 2 16.07 5.517 2 1.4 0 1 4 27.05 3.297 4 5.1 -7 1 3 37.63 2.390 4 0.94

-2 1 2 16.50 5.374 4 1.5 -1 1 4 27.37 3.258 4 0.58 3 5 4 37.65 2.389 4 0.702 1 2 16.66 5.320 4 2.0 0 6 1 27.44 3.251 4 1.1 5 3 4 37.83 2.378 4 0.92

-2 3 1 17.24 5.143 4 0.58 -5 2 2 27.44 3.250 4 0.75 -7 4 2 38.70 2.327 4 0.432 3 1 17.32 5.119 4 1.1 5 2 2 27.70 3.220 4 0.67 8 4 1 41.15 2.193 4 0.390 4 0 17.64 5.027 2 3.6 0 2 4 28.14 3.171 4 0.61 0 7 4 41.45 2.178 4 0.714 0 0 17.85 4.969 2 5.4 -2 1 4 28.42 3.140 4 1.1 0 10 0 45.09 2.011 2 3.21 4 0 18.20 4.873 4 0.68 2 1 4 28.62 3.118 4 0.38 0 8 4 45.14 2.009 4 3.40 4 1 18.86 4.705 4 0.58 -5 3 2 29.22 3.057 4 3.0 -8 0 4 45.22 2.005 2 0.86

-1 3 2 19.24 4.613 4 2.2 5 3 2 29.46 3.032 4 3.3 -8 4 3 45.32 2.001 4 1.11 3 2 19.31 4.596 4 1.5 3 6 0 29.88 2.990 4 0.72 10 0 0 45.64 1.988 2 4.6

-1 0 3 20.37 4.359 2 2.2 0 5 3 29.93 2.985 4 6.6 8 4 3 45.73 1.984 4 0.820 1 3 20.41 4.350 4 1.9 -5 0 3 29.94 2.984 2 4.0 8 0 4 45.76 1.983 2 1.41 0 3 20.48 4.337 2 1.3 -1 3 4 30.17 2.962 4 0.85 -3 4 6 46.50 1.953 4 1.4

-3 2 2 20.74 4.282 4 0.81 1 6 2 30.19 2.960 4 0.44 8 2 4 46.69 1.945 4 0.49-2 4 1 20.85 4.259 4 2.6 -5 1 3 30.28 2.952 4 2.6 3 4 6 46.80 1.941 4 0.762 4 1 20.92 4.246 4 3.4 5 0 3 30.30 2.949 2 1.9 -5 8 3 47.28 1.922 4 0.813 2 2 20.94 4.242 4 0.68 5 1 3 30.64 2.918 4 0.95 -3 9 3 47.48 1.915 4 0.620 2 3 21.82 4.074 4 2.1 -2 5 3 31.21 2.865 4 1.0 5 8 3 47.53 1.913 4 0.653 4 0 22.20 4.005 4 2.8 -5 2 3 31.27 2.861 4 0.41 3 9 3 47.62 1.909 4 0.800 5 1 23.10 3.851 4 44.7 2 5 3 31.35 2.853 4 0.59 -5 3 6 48.54 1.875 4 1.43 3 2 23.19 3.836 4 1.0 -5 4 2 31.55 2.836 4 0.59 5 3 6 49.02 1.858 4 1.0

MFI

ZSM

-5,Calcined

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

MFS ZSM-57, SiO2 Framework



CRYSTAL DATA: Imm2 (No. 44)a = 7.4510 A b = 14.1711 A c = 18.767 Aα = 90◦ β = 90◦ γ = 90◦

DLS76 refinement.

REFERENCE: J. L. Schlenker, J. B. Higgins and E. W. Valyocsik,Zeolites 10 293–296 (1990).


0 1 1 7.82 11.309 4 100.0 1 1 6 31.66 2.826 8 0.27 2 5 3 42.61 2.122 8 0.480 0 2 9.42 9.384 2 57.8 0 5 1 31.93 2.802 4 2.7 1 6 3 42.68 2.118 8 0.010 2 0 12.49 7.086 2 18.3 2 2 4 33.21 2.698 8 0.02 0 6 4 42.87 2.110 4 0.051 0 1 12.78 6.925 4 37.0 2 3 3 33.83 2.650 8 0.95 3 0 5 43.70 2.071 4 0.471 1 0 13.43 6.595 4 0.82 1 5 0 33.84 2.649 4 0.84 0 1 9 43.89 2.063 4 0.230 1 3 15.48 5.723 4 8.7 0 1 7 34.03 2.634 4 0.05 1 4 7 44.07 2.055 8 0.600 2 2 15.67 5.655 4 11.8 2 1 5 34.50 2.599 8 0.28 1 3 8 44.82 2.022 8 0.201 1 2 16.43 5.396 8 16.5 0 5 3 34.75 2.582 4 0.84 3 4 1 44.83 2.022 8 0.061 2 1 17.91 4.953 8 1.4 2 4 0 34.95 2.567 4 0.30 1 5 6 44.84 2.021 8 1.51 0 3 18.52 4.791 4 11.2 1 5 2 35.20 2.549 8 2.1 0 7 1 45.04 2.013 4 0.100 0 4 18.91 4.692 2 4.1 1 0 7 35.59 2.523 4 0.38 1 0 9 45.15 2.008 4 0.260 3 1 19.38 4.581 4 0.46 2 4 2 36.28 2.476 8 0.90 2 6 0 45.47 1.995 4 0.041 3 0 22.28 3.990 4 1.6 3 0 1 36.49 2.462 4 1.3 3 3 4 45.57 1.991 8 0.091 2 3 22.40 3.969 8 3.6 1 3 6 36.50 2.462 8 1.4 3 2 5 45.63 1.988 8 2.20 2 4 22.73 3.912 4 3.8 3 1 0 36.74 2.446 4 0.06 2 0 8 45.70 1.985 4 1.61 1 4 23.27 3.823 8 11.1 1 4 5 36.92 2.435 8 0.04 2 4 6 45.72 1.984 8 1.70 3 3 23.60 3.770 4 31.2 2 0 6 37.55 2.395 4 1.2 2 3 7 45.91 1.976 8 0.022 0 0 23.88 3.726 2 4.7 1 2 7 37.86 2.377 8 1.6 0 4 8 46.42 1.956 4 1.91 3 2 24.24 3.671 8 0.75 3 1 2 38.01 2.367 8 0.10 1 7 0 46.48 1.954 4 0.290 1 5 24.53 3.628 4 4.1 0 0 8 38.37 2.346 2 0.33 2 6 2 46.54 1.951 8 0.200 4 0 25.14 3.543 2 17.5 0 4 6 38.39 2.345 4 0.16 0 5 7 46.63 1.948 4 0.102 1 1 25.17 3.538 8 2.6 3 2 1 38.71 2.326 8 0.15 3 4 3 46.98 1.934 8 0.292 0 2 25.73 3.463 4 26.4 3 0 3 39.02 2.308 4 0.09 2 5 5 47.00 1.933 8 0.181 0 5 26.59 3.352 4 3.3 2 3 5 39.04 2.307 8 3.9 1 2 9 47.03 1.932 8 1.20 4 2 26.90 3.314 4 3.6 1 5 4 39.05 2.307 8 1.7 1 6 5 47.07 1.931 8 0.252 2 0 27.04 3.297 4 0.17 0 6 2 39.34 2.290 4 0.12 3 1 6 47.16 1.927 8 1.21 4 1 28.30 3.154 8 1.4 2 2 6 39.72 2.269 8 0.36 0 7 3 47.19 1.926 4 5.80 0 6 28.54 3.128 2 2.3 0 5 5 39.86 2.262 4 0.16 1 7 2 47.54 1.913 8 0.432 1 3 28.59 3.122 8 17.6 2 4 4 40.03 2.252 8 0.01 2 2 8 47.57 1.912 8 0.082 2 2 28.69 3.111 8 2.5 2 5 1 40.27 2.240 8 0.38 0 3 9 47.67 1.908 4 2.21 3 4 29.39 3.039 8 3.8 1 6 1 40.35 2.235 8 0.22 0 6 6 48.28 1.885 4 0.081 2 5 29.48 3.030 8 5.9 0 2 8 40.51 2.227 4 0.45 0 0 10 48.51 1.877 2 0.030 3 5 30.42 2.939 4 3.9 1 1 8 40.83 2.210 8 0.08 3 5 0 48.75 1.868 4 0.112 0 4 30.64 2.918 4 0.09 3 3 0 41.06 2.198 4 0.19 4 0 0 48.89 1.863 2 3.92 3 1 30.94 2.890 8 0.68 3 2 3 41.13 2.195 8 0.15 4 1 1 49.60 1.838 8 0.510 2 6 31.26 2.861 4 0.68 3 1 4 41.63 2.169 8 1.5 2 6 4 49.66 1.836 8 0.031 4 3 31.40 2.849 8 0.78 2 1 7 42.01 2.151 8 0.06 3 5 2 49.77 1.832 8 0.270 4 4 31.65 2.827 4 0.28 3 3 2 42.22 2.140 8 0.50 4 0 2 49.91 1.827 4 0.36

MFS

ZSM

-57,SiO

2Fram

ework

504030201002 theta (°)

60

50

40

30

20

10

0

MON Montesommaite

CHEMICAL COMPOSITION: |Na0.1K4.3(H2O)5| [Si11.3Al4.7O32]Pollena, Mt. Somma-Vesuvius, Italy

REFINED COMPOSITION: |K4.24(H2O)4| [Si11.3Al4.7O32]


X-ray powder refinement of idealized substructure, R = 0.10

REFERENCE: R. C. Rouse, P. J. Dunn, J. D. Grice, J. L. Schlenker and J. B. Higgins,American Mineralogist 75 1415–1420 (1990).


1 0 1 13.41 6.601 8 81.3 2 0 4 32.51 2.754 8 0.01 2 2 4 41.41 2.181 8 11.11 0 3 19.78 4.488 8 0.07 2 2 0 35.56 2.525 4 13.5 0 0 8 41.75 2.163 2 8.81 1 2 20.36 4.361 8 13.5 1 1 6 35.85 2.505 8 1.4 3 1 4 45.30 2.002 16 4.30 0 4 20.53 4.327 2 43.9 3 0 1 38.16 2.358 8 0.31 3 0 5 46.29 1.961 8 0.102 0 0 24.94 3.570 4 0.50 2 1 5 38.35 2.347 16 17.5 2 1 7 46.45 1.955 16 0.222 0 2 27.01 3.301 8 100.0 1 0 7 38.53 2.336 8 4.8 3 2 3 48.60 1.873 16 3.82 1 1 28.42 3.141 16 57.0 2 0 6 40.19 2.244 8 2.3 1 0 9 49.06 1.857 8 3.71 0 5 28.66 3.115 8 37.4 3 0 3 41.02 2.200 8 0.08 2 0 8 49.25 1.850 8 0.302 1 3 32.03 2.794 16 20.7 3 1 2 41.32 2.185 16 1.2

MO

NM

ontesomm

aite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

MOR Mordenite

CHEMICAL COMPOSITION: |Na8(H2O)24| [Si40Al8O96]Challis, Idaho, U.S.A.




REFERENCE: V. Gramlich,PhD dissertation, ETH, Zurich, (1971).And V. Gramlich, Private communication.


1 1 0 6.51 13.581 4 100.0 2 4 2 31.08 2.878 8 0.23 4 2 3 42.10 2.146 8 0.500 2 0 8.61 10.265 2 13.1 4 2 2 32.13 2.786 8 0.08 6 4 2 42.22 2.140 8 0.162 0 0 9.77 9.055 2 56.4 1 5 2 32.65 2.743 8 3.2 3 9 0 42.36 2.134 4 0.322 2 0 13.04 6.791 4 0.29 4 6 0 32.81 2.730 4 0.07 1 5 3 42.51 2.126 8 0.051 1 1 13.45 6.584 8 40.4 5 5 0 32.98 2.716 4 0.61 8 2 1 42.62 2.121 8 0.031 3 0 13.83 6.402 4 29.1 6 2 1 33.15 2.703 8 2.8 0 8 2 42.64 2.120 4 0.470 2 1 14.59 6.071 4 13.3 1 7 1 33.15 2.702 8 6.6 8 4 0 43.70 2.071 4 0.063 1 0 15.30 5.791 4 9.5 3 7 0 33.98 2.638 4 1.6 2 8 2 43.85 2.064 8 0.490 4 0 17.28 5.133 2 0.58 6 4 0 34.47 2.602 4 0.03 0 10 0 44.11 2.053 2 5.32 2 1 17.59 5.042 8 2.3 5 1 2 34.65 2.589 8 0.57 3 9 1 44.11 2.053 8 0.811 3 1 18.19 4.877 8 4.4 7 1 0 34.95 2.567 4 0.21 5 1 3 44.13 2.052 8 0.583 1 1 19.34 4.590 8 3.2 0 8 0 34.96 2.566 2 5.4 7 3 2 44.51 2.036 8 3.34 0 0 19.61 4.528 2 1.4 5 5 1 35.12 2.555 8 0.49 0 6 3 44.79 2.024 4 0.283 3 0 19.61 4.527 4 22.7 0 6 2 35.45 2.532 4 0.09 4 4 3 44.92 2.018 8 4.92 4 0 19.88 4.465 4 0.64 4 4 2 35.61 2.521 8 0.63 9 1 0 45.28 2.003 4 0.510 4 1 20.95 4.241 4 1.4 3 5 2 35.61 2.521 8 15.5 8 4 1 45.41 1.997 8 2.94 2 0 21.45 4.142 4 5.7 3 7 1 36.08 2.490 8 0.04 0 10 1 45.81 1.981 4 0.031 5 0 22.20 4.004 4 46.1 2 8 0 36.39 2.469 4 1.3 5 3 3 45.95 1.975 8 0.823 3 1 22.92 3.880 8 0.97 1 1 3 36.41 2.468 8 1.2 2 6 3 45.95 1.975 8 0.662 4 1 23.16 3.840 8 16.9 6 4 1 36.54 2.459 8 5.3 6 8 0 46.44 1.955 4 7.50 0 2 23.64 3.764 2 6.9 5 3 2 36.86 2.439 8 1.2 5 7 2 46.58 1.950 8 0.574 2 1 24.53 3.629 8 4.5 2 6 2 36.86 2.438 8 1.8 8 0 2 46.83 1.940 4 0.071 1 2 24.54 3.627 8 0.33 0 2 3 36.87 2.438 4 0.22 1 9 2 46.84 1.940 8 0.075 1 0 24.96 3.567 4 2.3 7 1 1 37.00 2.429 8 0.40 9 1 1 46.95 1.935 8 1.81 5 1 25.19 3.535 8 0.31 0 8 1 37.01 2.429 4 0.48 2 10 1 46.96 1.935 8 0.170 2 2 25.20 3.534 4 4.3 7 3 0 37.15 2.420 4 0.11 9 3 0 47.07 1.930 4 0.902 0 2 25.63 3.476 4 75.7 6 0 2 38.22 2.355 4 0.13 5 9 0 47.08 1.930 4 0.210 6 0 26.04 3.422 2 5.0 2 2 3 38.24 2.354 8 0.37 4 8 2 47.34 1.920 8 5.23 5 0 26.25 3.395 4 43.5 1 3 3 38.53 2.336 8 0.71 6 2 3 47.97 1.896 8 0.602 2 2 27.09 3.292 8 4.7 7 3 1 39.10 2.304 8 0.18 1 7 3 47.98 1.896 8 1.11 3 2 27.49 3.245 8 12.6 3 1 3 39.12 2.302 8 0.04 7 5 2 48.08 1.892 8 0.735 1 1 27.67 3.223 8 46.1 6 2 2 39.25 2.295 8 0.35 8 6 0 48.20 1.888 4 0.045 3 0 27.87 3.201 4 28.8 5 7 0 39.54 2.279 4 1.1 0 0 4 48.36 1.882 2 9.42 6 0 27.87 3.201 4 0.13 8 0 0 39.82 2.264 2 0.14 7 7 1 48.45 1.879 8 0.493 1 2 28.28 3.156 8 4.0 6 6 0 39.82 2.264 4 0.07 9 3 1 48.69 1.870 8 0.050 6 1 28.66 3.115 4 2.7 0 4 3 39.99 2.254 4 0.10 4 10 0 48.70 1.870 4 0.134 4 1 28.85 3.095 8 3.3 4 8 0 40.40 2.233 4 2.2 5 9 1 48.70 1.870 8 2.53 5 1 28.85 3.095 8 0.47 8 2 0 40.82 2.211 4 0.36 1 1 4 48.85 1.864 8 1.20 4 2 29.43 3.035 4 0.24 4 6 2 40.83 2.210 8 0.09 1 11 0 49.07 1.857 4 0.465 3 1 30.34 2.946 8 0.31 5 5 2 40.97 2.203 8 0.06 3 9 2 49.07 1.856 8 0.542 6 1 30.34 2.946 8 5.5 7 5 0 41.24 2.189 4 0.32 0 2 4 49.22 1.851 4 0.056 2 0 30.88 2.896 4 2.0 2 4 3 41.27 2.188 8 2.2 4 6 3 49.33 1.847 8 0.361 7 0 30.89 2.895 4 0.09 5 7 1 41.39 2.182 8 0.03 5 5 3 49.45 1.843 8 0.124 0 2 30.89 2.894 4 12.9 6 6 1 41.67 2.168 8 1.4 2 0 4 49.46 1.843 4 0.313 3 2 30.89 2.894 8 8.8 3 7 2 41.81 2.160 8 1.8 8 6 1 49.79 1.831 8 0.12

MO

RM

ordenite

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

MOR Maricopaite

CHEMICAL COMPOSITION: |Pb7Ca2(H2O)28| [Si36Al12(O,OH)100]Moon Anchor Mine, Tonopah, AZ, U.S.A.

REFINED COMPOSITION: |Pb10.68(H2O)26.5O4| [Si36.38Al11.02O100]

CRYSTAL DATA: Cm2m (No. 38; bca setting)a = 19.432 A b = 19.702 A c = 7.538 Aα = 90◦ β = 90◦ γ = 90◦




1 1 0 6.39 13.835 4 100.0 6 0 1 30.03 2.976 4 0.17 4 8 0 41.09 2.197 4 0.350 2 0 8.98 9.851 2 4.0 3 3 2 30.63 2.918 8 0.09 5 7 1 41.38 2.182 8 0.572 0 0 9.10 9.716 2 0.32 2 6 1 31.10 2.876 8 0.16 2 4 3 41.40 2.181 8 0.080 0 1 11.74 7.538 2 1.0 2 4 2 31.27 2.861 8 0.78 8 4 0 41.45 2.179 4 0.112 2 0 12.80 6.917 4 2.3 4 2 2 31.38 2.850 8 3.6 4 2 3 41.48 2.177 8 0.391 1 1 13.38 6.619 8 1.8 6 2 1 31.40 2.849 8 2.0 1 9 0 41.51 2.175 4 0.161 3 0 14.24 6.222 4 0.85 1 7 0 32.13 2.786 4 0.61 9 1 0 42.10 2.146 4 0.653 1 0 14.39 6.153 4 1.9 5 5 0 32.35 2.767 4 0.32 3 7 2 42.44 2.130 8 0.270 2 1 14.80 5.986 4 1.7 7 1 0 32.57 2.749 4 0.36 1 5 3 42.94 2.106 8 0.092 0 1 14.87 5.956 4 0.09 4 6 0 32.92 2.720 4 0.19 5 1 3 43.11 2.098 8 0.442 2 1 17.40 5.097 8 0.44 6 4 0 33.10 2.706 4 1.1 1 9 1 43.29 2.090 8 0.270 4 0 18.01 4.925 2 0.08 1 5 2 33.21 2.697 8 1.1 9 1 1 43.86 2.064 8 0.091 3 1 18.49 4.798 8 4.6 5 1 2 33.43 2.680 8 3.5 0 8 2 43.92 2.062 4 0.183 1 1 18.61 4.767 8 0.56 1 7 1 34.32 2.613 8 0.35 4 4 3 44.57 2.033 8 0.433 3 0 19.25 4.612 4 0.50 5 5 1 34.53 2.598 8 0.51 2 8 2 44.95 2.017 8 0.232 4 0 20.21 4.393 4 0.64 4 6 1 35.07 2.559 8 0.92 3 5 3 45.02 2.014 8 0.124 2 0 20.38 4.357 4 4.3 7 3 0 35.09 2.557 4 0.78 5 3 3 45.13 2.009 8 0.090 4 1 21.55 4.123 4 1.9 4 4 2 35.22 2.548 8 0.15 8 2 2 45.36 1.999 8 0.284 0 1 21.76 4.083 4 0.35 6 4 1 35.24 2.547 8 0.78 0 6 3 45.45 1.995 4 0.303 3 1 22.60 3.934 8 0.57 0 0 3 35.73 2.513 2 0.11 9 3 1 45.85 1.979 8 0.711 5 0 23.03 3.862 4 1.9 3 5 2 35.76 2.511 8 0.23 6 6 2 46.15 1.967 8 0.215 1 0 23.33 3.813 4 0.70 5 3 2 35.90 2.502 8 0.26 2 6 3 46.46 1.955 8 0.152 4 1 23.44 3.796 8 0.11 0 6 2 36.28 2.476 4 0.23 8 6 0 46.50 1.953 4 0.284 2 1 23.58 3.772 8 0.19 1 1 3 36.34 2.472 8 0.26 5 7 2 46.56 1.951 8 0.500 0 2 23.60 3.769 2 0.13 0 8 0 36.48 2.463 2 0.39 7 5 2 46.72 1.944 8 0.121 1 2 24.48 3.636 8 0.89 6 0 2 36.58 2.456 4 2.5 10 0 0 46.75 1.943 2 0.470 2 2 25.30 3.520 4 0.97 0 2 3 36.92 2.435 4 0.27 2 10 0 47.06 1.931 4 0.102 0 2 25.35 3.514 4 2.0 8 0 0 37.01 2.429 2 0.19 7 7 1 47.56 1.912 8 0.114 4 0 25.76 3.459 4 1.5 7 3 1 37.13 2.421 8 0.74 5 9 0 47.68 1.907 4 0.961 5 1 25.92 3.437 8 0.58 2 6 2 37.49 2.399 8 0.71 10 2 0 47.70 1.906 4 0.125 1 1 26.19 3.402 8 0.48 2 8 0 37.68 2.387 4 0.32 0 10 1 47.71 1.906 4 0.103 5 0 26.48 3.366 4 3.3 6 2 2 37.74 2.383 8 0.53 4 8 2 47.93 1.898 8 0.305 3 0 26.65 3.345 4 3.3 8 2 0 38.16 2.358 4 0.60 6 8 1 47.95 1.897 8 0.812 2 2 26.94 3.310 8 1.9 0 8 1 38.45 2.341 4 0.16 8 4 2 48.25 1.886 8 0.380 6 0 27.16 3.284 2 4.1 1 3 3 38.64 2.330 8 0.35 0 0 4 48.29 1.885 2 1.61 3 2 27.67 3.224 8 4.2 6 6 0 39.06 2.306 4 0.44 1 9 2 48.31 1.884 8 1.13 1 2 27.76 3.214 8 5.8 2 8 1 39.60 2.276 8 0.11 1 1 4 48.77 1.867 8 1.14 4 1 28.39 3.144 8 0.18 7 5 0 39.72 2.269 4 0.10 1 7 3 48.81 1.866 8 0.442 6 0 28.70 3.111 4 0.76 8 2 1 40.06 2.251 8 0.22 5 5 3 48.97 1.860 8 0.146 2 0 29.02 3.077 4 0.37 5 5 2 40.44 2.230 8 0.79 0 2 4 49.23 1.851 4 0.153 5 1 29.05 3.074 8 0.08 7 1 2 40.62 2.221 8 1.7 5 9 1 49.28 1.849 8 0.215 3 1 29.21 3.057 8 2.9 3 3 3 40.90 2.206 8 0.19 10 2 1 49.30 1.848 8 0.300 6 1 29.67 3.010 4 1.3 4 6 2 40.91 2.206 8 0.94 4 6 3 49.37 1.846 8 0.130 4 2 29.85 2.993 4 2.1 6 6 1 40.93 2.205 8 0.32 6 4 3 49.50 1.841 8 0.314 0 2 30.01 2.978 4 5.6 6 4 2 41.06 2.198 8 0.18 4 10 0 49.95 1.826 4 0.29

MO

RM

aricopaite

504030201002 theta (°)

8

6

4

2

0

MOZ ZSM-10

CHEMICAL COMPOSITION: |K24| [Si84Al24O216]



X-ray Rietveld refinement, wRp = 0.16, RF2 = 0.142

REFERENCE: J. B. Higgins and K. D. Schmitt, Zeolites 16 236–244 (1996);M. D. Foster, M. M. J. Treacy, J. B. Higgins, I. Rivin, E. Balkovskyand K. H. Randall, Appl. Cryst. 38 1028–1030 (2005);D. L. Dorset, Z. Kristallogr. 221 260–265 (2006).


1 0 0 3.25 27.185 6 0.32 2 2 2 26.30 3.389 12 1.0 10 1 1 36.83 2.440 24 0.381 1 0 5.63 15.695 6 100.0 6 2 1 26.45 3.370 24 0.35 8 1 2 37.02 2.428 24 0.142 0 0 6.50 13.592 6 56.1 7 2 0 26.84 3.321 12 1.1 3 0 3 37.24 2.414 12 0.472 1 0 8.61 10.275 12 11.6 4 0 2 27.12 3.288 12 1.9 11 1 0 38.18 2.357 12 0.963 0 0 9.76 9.062 6 10.5 7 1 1 27.47 3.247 24 0.14 4 0 3 38.29 2.350 12 0.392 2 0 11.28 7.847 6 19.5 3 2 2 27.72 3.218 24 0.21 11 0 1 38.34 2.348 12 0.840 0 1 11.78 7.515 2 13.0 5 4 1 28.26 3.158 24 0.49 9 1 2 39.70 2.271 24 0.154 0 0 13.03 6.796 6 0.73 5 5 0 28.43 3.139 6 4.6 9 4 1 40.09 2.249 24 0.421 1 1 13.06 6.778 12 0.15 6 4 0 28.63 3.118 12 0.18 11 1 1 40.09 2.249 24 0.352 0 1 13.46 6.577 12 14.6 6 3 1 28.64 3.117 24 0.52 7 7 0 40.22 2.242 6 0.283 2 0 14.20 6.237 12 18.2 8 0 1 28.83 3.096 12 0.14 10 3 1 40.94 2.204 24 0.172 1 1 14.60 6.066 24 9.2 5 0 2 28.88 3.091 12 4.2 10 0 2 40.98 2.202 12 0.644 1 0 14.93 5.932 12 5.1 3 3 2 29.26 3.052 12 0.26 5 2 3 41.60 2.171 24 0.193 0 1 15.32 5.784 12 1.4 7 2 1 29.40 3.038 24 1.5 12 0 1 41.64 2.169 12 0.565 0 0 16.30 5.437 6 5.3 4 2 2 29.45 3.033 24 1.4 7 7 1 42.05 2.149 12 1.32 2 1 16.33 5.428 12 7.0 9 0 0 29.57 3.021 6 8.1 6 1 3 42.15 2.144 24 0.313 3 0 16.95 5.232 6 2.0 5 1 2 30.01 2.978 24 0.38 7 5 2 42.23 2.140 24 0.164 2 0 17.26 5.137 12 2.2 8 1 1 30.51 2.930 24 0.31 9 5 1 42.60 2.122 24 0.144 0 1 17.59 5.041 12 5.6 6 0 2 30.92 2.892 12 0.14 7 0 3 42.97 2.105 12 0.683 2 1 18.49 4.799 24 0.64 6 4 1 31.05 2.880 24 0.18 10 4 1 43.28 2.091 24 0.444 1 1 19.06 4.656 24 0.71 4 3 2 31.10 2.876 24 8.2 11 0 2 43.85 2.065 12 0.954 3 0 19.87 4.469 12 15.5 6 5 0 31.39 2.850 12 0.86 7 1 3 44.04 2.056 24 0.285 0 1 20.16 4.405 12 6.6 5 2 2 31.45 2.844 24 0.19 10 5 0 44.07 2.055 12 0.165 2 0 20.40 4.353 12 12.5 7 3 1 31.58 2.833 24 1.1 11 3 1 44.21 2.049 24 0.383 3 1 20.69 4.294 12 0.26 7 4 0 31.74 2.819 12 0.53 10 2 2 44.24 2.047 24 0.744 2 1 20.95 4.241 24 1.1 6 1 2 32.15 2.784 24 0.18 7 2 3 45.35 2.000 24 0.215 1 1 21.71 4.094 24 0.63 8 2 1 32.45 2.759 24 0.39 12 2 1 45.39 1.998 24 0.184 4 0 22.66 3.924 6 0.43 10 0 0 32.95 2.718 6 2.1 11 1 2 45.42 1.997 24 0.807 0 0 22.90 3.884 6 2.1 5 3 2 33.18 2.700 24 1.8 10 3 2 46.19 1.965 24 0.215 3 0 22.90 3.884 12 0.26 9 1 1 33.63 2.665 24 2.2 10 6 0 46.78 1.942 12 0.146 0 1 22.92 3.880 12 0.27 6 2 2 33.68 2.661 24 0.14 14 0 0 46.78 1.942 6 0.224 3 1 23.16 3.841 24 4.5 7 4 1 33.97 2.639 24 0.27 9 0 3 47.13 1.928 12 0.336 2 0 23.60 3.770 12 0.38 10 0 1 35.10 2.556 12 2.9 7 7 2 47.20 1.925 12 0.205 2 1 23.62 3.767 24 0.42 5 4 2 35.14 2.553 24 0.61 11 2 2 47.20 1.925 24 0.320 0 2 23.68 3.757 2 3.5 6 3 2 35.46 2.531 24 0.14 11 5 0 47.41 1.917 12 0.891 1 2 24.36 3.654 12 1.7 9 2 1 35.58 2.523 24 0.42 9 7 1 48.05 1.894 24 0.226 1 1 24.52 3.630 24 0.19 8 0 2 35.62 2.520 12 0.26 12 4 0 48.28 1.885 12 0.632 0 2 24.58 3.622 12 11.1 9 3 0 35.73 2.513 12 1.7 12 1 2 48.45 1.879 24 0.177 1 0 24.73 3.601 12 0.61 0 0 3 35.85 2.505 2 0.47 0 0 4 48.45 1.879 2 2.52 1 2 25.24 3.529 24 7.3 7 2 2 36.09 2.488 24 0.16 1 1 4 48.82 1.865 12 0.205 4 0 25.59 3.481 12 0.70 11 0 0 36.35 2.471 6 1.1 9 8 0 49.38 1.845 12 0.247 0 1 25.82 3.450 12 0.43 6 6 1 36.37 2.470 12 0.27 10 0 3 49.48 1.842 12 0.645 3 1 25.82 3.450 24 2.6 2 0 3 36.47 2.463 12 0.18 3 0 4 49.55 1.840 12 0.186 3 0 26.02 3.425 12 0.34 7 5 1 36.52 2.460 24 0.49 10 7 0 49.63 1.837 12 0.208 0 0 26.23 3.398 6 2.1 10 2 0 36.82 2.441 12 1.2 9 2 3 49.84 1.830 24 0.19

MO

ZZSM

-10

504030201002 theta (°)

60

50

40

30

20

10

0

MSE MCM-68

CHEMICAL COMPOSITION: [Si100.6Al11.4O224]


CRYSTAL DATA: P 42/m nm (No. 136)a = 18.286 A b = 18.286 A c = 20.208 Aα = 90◦ β = 90◦ γ = 90◦

X-ray Rietveld refinement, Rp = 0.14, RF2 = 0.14

REFERENCE: D. L. Dorset, S. C. Weston and S. S. Dhingra,J. Phys. Chem. B 110 2045–2050 (2006).


1 0 1 6.52 13.559 8 48.1 5 0 3 27.76 3.214 8 3.1 2 0 8 36.92 2.435 8 0.361 1 0 6.84 12.930 4 100.0 4 3 3 27.76 3.214 16 0.96 2 1 8 37.25 2.413 16 0.281 1 1 8.12 10.891 8 45.2 5 1 3 28.19 3.166 16 0.97 6 3 4 37.49 2.399 16 0.300 0 2 8.75 10.104 2 40.8 3 2 5 28.23 3.161 16 3.7 3 3 7 37.50 2.399 8 0.322 0 0 9.67 9.143 4 59.2 2 0 6 28.24 3.160 8 1.8 2 2 8 38.25 2.353 8 0.332 1 0 10.82 8.178 8 19.1 2 1 6 28.66 3.114 16 0.93 6 2 5 38.27 2.352 16 0.711 1 2 11.11 7.962 8 8.7 5 3 1 28.81 3.099 16 2.0 6 5 0 38.45 2.341 8 0.372 1 1 11.67 7.581 16 0.86 4 4 2 29.00 3.079 8 0.75 7 1 4 39.13 2.302 16 0.572 2 0 13.70 6.465 4 11.5 6 0 0 29.30 3.048 4 3.5 8 0 0 39.42 2.286 4 0.862 1 2 13.93 6.357 16 1.3 5 2 3 29.46 3.032 16 0.35 6 5 2 39.51 2.281 16 0.561 0 3 14.01 6.321 8 0.65 6 1 0 29.72 3.006 8 2.9 7 4 0 39.74 2.268 8 0.322 2 1 14.38 6.158 8 0.66 4 1 5 29.91 2.987 16 1.1 6 3 5 39.89 2.260 16 0.931 1 3 14.83 5.974 8 6.9 4 3 4 30.17 2.962 16 0.61 6 5 3 40.80 2.212 16 0.663 1 1 15.94 5.559 16 1.9 3 3 5 30.32 2.948 8 2.9 4 0 8 40.81 2.211 8 0.312 2 2 16.28 5.446 8 0.77 6 0 2 30.64 2.918 8 0.43 4 1 8 41.12 2.195 16 1.13 2 0 17.49 5.072 8 3.3 4 4 3 30.68 2.914 8 0.62 3 3 8 41.43 2.179 8 0.800 0 4 17.55 5.052 2 2.4 6 2 0 30.93 2.891 8 3.2 5 5 5 41.45 2.178 8 0.263 1 2 17.67 5.019 16 1.1 6 1 2 31.04 2.881 16 0.80 6 6 0 41.92 2.155 4 1.83 2 1 18.03 4.919 16 0.84 4 2 5 31.11 2.874 16 0.39 4 4 7 41.96 2.153 8 0.371 1 4 18.86 4.706 8 0.49 6 2 1 31.25 2.862 16 0.43 7 4 3 42.03 2.150 16 0.854 0 0 19.42 4.571 4 7.8 1 0 7 31.37 2.852 8 0.36 5 3 7 42.56 2.124 16 0.323 2 2 19.58 4.533 16 8.7 5 3 3 31.47 2.843 16 1.4 6 6 2 42.91 2.108 8 0.303 0 3 19.64 4.520 8 2.8 6 2 2 32.20 2.780 16 0.41 4 3 8 43.54 2.078 16 0.294 1 0 20.02 4.435 8 7.4 5 4 2 32.58 2.748 16 0.49 8 1 4 43.75 2.069 16 0.323 1 3 20.24 4.388 16 0.45 6 1 3 32.62 2.745 16 0.28 7 3 5 43.86 2.064 16 0.944 1 1 20.50 4.332 16 0.74 4 4 4 32.89 2.723 8 0.24 3 2 9 44.11 2.053 16 0.403 3 0 20.61 4.310 4 2.8 2 1 7 32.90 2.722 16 0.52 8 3 3 44.41 2.040 16 0.362 1 4 20.67 4.298 16 0.44 5 0 5 33.03 2.712 8 1.1 0 0 10 44.85 2.021 2 1.13 3 1 21.08 4.215 8 3.0 5 1 5 33.40 2.682 16 2.8 2 0 10 45.99 1.973 8 0.464 2 0 21.73 4.089 8 21.3 5 3 4 33.64 2.664 16 0.76 8 3 4 46.06 1.971 16 0.364 1 2 21.89 4.061 16 0.99 6 2 3 33.73 2.657 16 0.30 8 4 3 46.41 1.956 16 0.293 2 3 21.94 4.052 16 16.8 5 4 3 34.10 2.629 16 0.77 6 0 8 46.70 1.945 8 0.461 0 5 22.53 3.946 8 12.0 4 2 6 34.50 2.600 16 0.38 8 2 5 46.72 1.944 16 0.391 1 5 23.06 3.858 8 19.8 5 5 0 34.69 2.586 4 0.50 8 5 0 46.87 1.938 8 0.304 2 2 23.47 3.790 16 2.0 7 1 0 34.69 2.586 8 0.70 6 1 8 46.98 1.934 16 0.335 1 0 24.83 3.586 8 0.62 5 5 1 34.98 2.565 8 0.36 9 3 0 47.15 1.928 8 0.253 2 4 24.88 3.579 16 0.29 7 1 1 34.98 2.565 16 0.53 4 3 9 47.52 1.913 16 0.255 1 1 25.22 3.531 16 0.71 6 4 0 35.40 2.536 8 1.4 6 4 7 47.74 1.905 16 0.284 3 2 25.91 3.439 16 0.77 6 3 3 35.53 2.527 16 1.2 9 2 3 47.80 1.903 16 1.22 2 5 26.00 3.427 8 0.39 0 0 8 35.54 2.526 2 0.82 6 2 8 47.81 1.902 16 1.05 2 0 26.24 3.396 8 4.5 7 2 0 35.75 2.512 8 0.29 5 4 8 48.09 1.892 16 1.23 0 5 26.46 3.368 8 0.76 3 2 7 35.79 2.509 16 3.1 6 3 8 49.17 1.853 16 0.630 0 6 26.46 3.368 2 1.5 5 3 5 36.26 2.478 16 2.5 8 6 0 49.87 1.829 8 0.533 1 5 26.91 3.313 16 2.2 6 4 2 36.53 2.460 16 0.43 10 0 0 49.87 1.829 4 1.34 4 0 27.59 3.233 4 9.6 7 0 3 36.91 2.436 8 0.54 8 4 5 49.99 1.824 16 0.23

MSE

MCM

-68

504030201002 theta (°)

60

50

40

30

20

10

0

MSO MCM-61

CHEMICAL COMPOSITION: |(C12H24O6)36| [Si33.48Al2.52O78]C12H24O6 = 1,4,7,10,13,16-hexaoxacyclooctadecane (18-crown-6 ether)

REFINED COMPOSITION: |K9.38C12H48| [Si36O78]



REFERENCE: D. F. Shantz, A. Burton and R. F. Lobo,Microporous and Mesoporous Materials 31 61–73 (1999).


1 0 0 7.49 11.800 6 100.0 4 -1 -1 31.39 2.849 6 0.02 5 -1 -2 40.76 2.213 12 0.221 0 -1 10.27 8.610 6 31.6 4 1 0 31.71 2.822 12 0.26 5 1 -2 41.31 2.186 12 0.021 1 0 10.92 8.101 6 0.85 4 1 -1 32.07 2.791 12 0.10 3 3 3 42.15 2.144 2 0.111 1 -1 12.73 6.955 6 12.2 3 1 -3 32.10 2.789 12 0.03 5 2 -1 42.20 2.141 12 0.031 1 1 13.77 6.432 2 13.9 3 2 2 33.05 2.711 6 0.16 5 2 1 43.43 2.084 12 0.122 0 0 15.02 5.900 6 0.13 4 0 -2 33.11 2.705 12 0.01 4 3 2 43.50 2.080 12 0.322 0 -1 16.38 5.410 12 2.2 4 1 1 33.18 2.700 6 0.05 3 3 -4 43.50 2.080 6 0.032 1 0 17.21 5.153 12 3.6 3 3 0 33.18 2.700 6 0.04 4 3 -3 44.02 2.057 12 0.152 1 -1 18.23 4.867 12 0.61 3 3 -1 33.42 2.681 6 0.05 4 4 0 44.75 2.025 6 0.112 1 1 19.34 4.590 6 10.9 4 -1 -2 33.79 2.653 12 0.08 4 2 -4 44.82 2.022 12 0.022 0 -2 20.63 4.305 6 0.30 4 1 -2 34.21 2.621 12 0.04 5 -2 -3 45.94 1.975 12 0.032 2 0 21.94 4.050 6 1.3 3 3 1 34.69 2.586 6 0.20 5 3 0 46.04 1.971 12 0.022 1 -2 21.98 4.044 12 0.16 3 2 -3 34.76 2.581 12 0.11 5 2 2 46.11 1.969 6 0.012 2 -1 22.61 3.933 6 0.36 4 2 0 34.82 2.576 12 0.11 4 4 1 46.11 1.969 6 0.153 0 0 22.61 3.933 6 1.1 4 -2 -2 36.14 2.485 6 0.04 6 0 0 46.16 1.967 6 0.152 2 1 23.82 3.736 6 1.1 4 2 1 36.28 2.476 12 0.28 5 2 -3 46.60 1.949 12 0.023 1 0 24.28 3.665 12 0.03 4 0 -3 36.96 2.432 12 0.02 6 -1 -1 46.60 1.949 6 0.083 -1 -1 24.32 3.660 6 0.75 4 -1 -3 37.67 2.388 12 0.03 6 1 0 47.32 1.921 12 0.023 1 -1 24.89 3.578 12 0.73 3 3 2 37.78 2.381 6 0.13 5 3 1 47.37 1.919 12 0.042 2 -2 25.62 3.478 6 0.44 4 1 -3 37.86 2.376 12 0.01 6 1 -1 47.42 1.917 12 0.103 1 1 26.00 3.427 6 0.34 5 -1 -1 38.84 2.318 6 0.18 4 3 3 47.51 1.914 6 0.323 0 -2 26.46 3.369 12 0.72 3 3 -3 38.84 2.318 6 0.22 6 0 -2 47.86 1.901 12 0.113 -1 -2 27.41 3.254 12 0.23 4 2 2 39.26 2.295 6 0.09 5 0 -4 47.87 1.900 12 0.083 1 -2 27.66 3.224 12 0.43 4 3 0 39.28 2.294 12 0.12 6 -1 -2 48.19 1.888 12 0.032 2 2 27.74 3.216 2 0.09 5 1 0 39.39 2.287 12 0.07 6 1 1 48.54 1.875 6 0.043 2 0 28.02 3.184 12 0.73 4 3 -1 39.39 2.287 12 0.07 6 1 -2 48.83 1.865 12 0.023 2 -1 28.42 3.140 12 0.03 3 2 -4 39.92 2.259 12 0.02 3 3 -5 49.10 1.855 6 0.024 0 0 30.30 2.950 6 0.51 4 2 -3 40.29 2.239 12 0.04 6 2 -1 49.77 1.832 12 0.052 2 -3 30.32 2.948 6 0.24 5 0 -2 40.29 2.239 12 0.20 6 -2 -2 49.82 1.830 6 0.024 0 -1 30.79 2.904 12 0.04 4 3 1 40.69 2.218 12 0.20 5 3 2 49.96 1.826 12 0.093 2 -2 30.79 2.904 12 0.71 5 1 1 40.71 2.217 6 0.24

MSO

MCM

-61

504030201002 theta (°)

35

30

25

20

15

10

5

0

MTF MCM-35




X-ray synchrotron Rietveld refinement, Rp = 0.0729, Rwp = 0.0916, Rb = 0.0302

REFERENCE: P. A. Barrett, M.-J. Diaz-Cabanas and M. A. Camblor,Chemistry of Materials 11 2919–2927 (1999).


0 2 0 5.76 15.355 2 100.0 -3 1 1 30.58 2.923 4 0.17 4 0 1 40.29 2.238 2 0.161 1 0 9.75 9.072 4 48.1 -2 2 2 30.98 2.887 4 0.23 -3 9 1 40.53 2.226 4 1.20 4 0 11.53 7.677 2 4.9 3 1 1 31.26 2.861 4 0.54 -1 5 3 40.69 2.217 4 0.350 0 1 12.11 7.310 2 3.8 2 0 2 31.33 2.855 2 1.6 3 5 2 41.00 2.201 4 0.341 3 0 12.72 6.962 4 5.0 0 10 1 31.60 2.831 4 0.73 -1 13 1 41.18 2.192 4 0.440 2 1 13.41 6.600 4 10.9 -3 3 1 31.70 2.823 4 3.4 -4 4 1 41.34 2.184 4 0.71

-1 1 1 15.35 5.773 4 13.3 2 2 2 31.88 2.807 4 0.48 -1 11 2 41.63 2.169 4 0.151 5 0 17.19 5.157 4 1.2 -2 8 1 32.18 2.782 4 0.18 -2 12 1 41.79 2.161 4 0.220 6 0 17.33 5.118 2 0.94 3 3 1 32.36 2.767 4 0.61 4 6 0 41.95 2.154 4 0.54

-1 3 1 17.40 5.097 4 0.28 2 8 1 32.61 2.746 4 0.12 1 11 2 41.99 2.152 4 0.421 3 1 17.78 4.987 4 8.9 -2 4 2 32.62 2.745 4 0.95 4 4 1 42.05 2.149 4 0.342 0 0 18.69 4.748 2 1.5 -1 7 2 33.06 2.710 4 1.2 2 12 1 42.14 2.144 4 0.42

-1 5 1 20.92 4.247 4 1.3 1 11 0 33.45 2.678 4 1.1 2 2 3 42.62 2.121 4 0.460 6 1 21.19 4.193 4 2.4 2 4 2 33.48 2.676 4 0.44 -2 4 3 42.86 2.110 4 0.511 5 1 21.24 4.182 4 24.5 1 7 2 33.48 2.676 4 0.32 -1 7 3 43.29 2.090 4 0.272 4 0 22.01 4.038 4 13.6 -3 5 1 33.83 2.649 4 0.22 -4 6 1 43.48 2.081 4 1.4

-2 0 1 22.02 4.037 2 0.92 0 8 2 33.86 2.647 4 0.40 1 7 3 43.80 2.067 4 0.561 7 0 22.32 3.983 4 10.5 3 5 1 34.46 2.603 4 1.0 2 4 3 43.88 2.063 4 0.302 0 1 22.63 3.929 2 0.69 3 7 0 34.95 2.567 4 0.78 -4 0 2 44.90 2.019 2 0.27

-2 2 1 22.77 3.904 4 23.0 0 12 0 35.06 2.559 2 0.13 -2 6 3 44.94 2.017 4 0.120 8 0 23.17 3.839 2 0.23 -1 11 1 35.60 2.522 4 0.27 3 11 1 45.29 2.002 4 6.12 2 1 23.37 3.806 4 0.32 1 11 1 35.80 2.508 4 0.61 -4 2 2 45.31 2.001 4 0.320 0 2 24.35 3.655 2 0.80 -2 10 1 36.77 2.444 4 0.51 1 15 0 45.31 2.001 4 0.21

-2 4 1 24.92 3.573 4 0.46 -3 7 1 36.83 2.440 4 0.34 2 14 0 45.55 1.991 4 0.150 2 2 25.04 3.556 4 13.5 0 0 3 36.89 2.437 2 0.38 -3 9 2 45.86 1.979 4 0.15

-1 7 1 25.33 3.516 4 3.4 -1 9 2 37.08 2.425 4 0.14 2 6 3 45.93 1.976 4 0.302 4 1 25.47 3.497 4 6.8 -3 1 2 37.13 2.421 4 0.30 -4 8 1 46.35 1.959 4 0.912 6 0 25.59 3.481 4 16.0 2 10 1 37.16 2.419 4 1.1 -1 9 3 46.56 1.951 4 0.431 7 1 25.60 3.479 4 17.4 0 12 1 37.22 2.415 4 0.63 1 13 2 46.94 1.936 4 0.71

-1 1 2 26.02 3.424 4 5.0 0 2 3 37.37 2.407 4 0.57 1 9 3 47.04 1.932 4 2.10 8 1 26.22 3.399 4 3.2 3 7 1 37.41 2.404 4 1.4 -2 12 2 47.09 1.930 4 0.261 1 2 26.55 3.357 4 3.1 1 9 2 37.47 2.400 4 1.3 -2 14 1 47.15 1.927 4 0.310 4 2 27.02 3.300 4 8.2 -1 1 3 37.96 2.370 4 1.0 -3 3 3 47.23 1.924 4 0.61

-1 3 2 27.31 3.266 4 1.0 3 1 2 38.28 2.351 4 0.40 -2 8 3 47.73 1.905 4 0.521 9 0 27.78 3.211 4 0.59 0 10 2 38.28 2.351 4 0.70 5 1 0 47.99 1.896 4 0.341 3 2 27.81 3.207 4 1.1 4 2 0 38.37 2.346 4 0.88 0 14 2 48.39 1.881 4 0.33

-2 6 1 28.15 3.170 4 5.2 3 9 0 38.81 2.321 4 0.13 -4 6 2 48.48 1.878 4 0.123 1 0 28.34 3.149 4 0.34 -1 3 3 38.89 2.316 4 0.21 3 3 3 48.65 1.871 4 0.412 6 1 28.64 3.116 4 0.45 3 3 2 39.20 2.298 4 0.14 2 8 3 48.68 1.871 4 0.710 10 0 29.08 3.071 2 0.71 1 13 0 39.30 2.292 4 0.63 5 3 0 48.77 1.867 4 0.193 3 0 29.54 3.024 4 4.4 2 8 2 39.33 2.291 4 0.17 -3 5 3 48.79 1.867 4 0.300 6 2 30.04 2.974 4 1.0 1 3 3 39.45 2.284 4 0.29 0 16 1 49.07 1.856 4 0.301 5 2 30.20 2.959 4 2.7 -4 0 1 39.56 2.278 2 0.18 4 6 2 49.72 1.834 4 0.44

-1 9 1 30.29 2.951 4 1.0 -3 5 2 39.91 2.259 4 0.78 -4 10 1 49.84 1.830 4 0.16-2 0 2 30.41 2.939 2 1.4 -4 2 1 40.01 2.253 4 0.23 3 13 1 49.98 1.825 4 0.59

MT

FM

CM

-35

504030201002 theta (°)

504846444240383634323028262422201816141210

86420

MTN Dodecasil 3C

CHEMICAL COMPOSITION: |((CH3)3N,CO2)y(N2,Ar,CH4)x| [Si136O272]

REFINED COMPOSITION: |N24| [Si136O272]





1 1 1 7.89 11.202 8 43.4 7 1 1 32.97 2.717 24 0.19 7 3 5 42.44 2.130 24 0.212 2 0 12.91 6.860 12 55.2 5 5 1 32.97 2.717 24 1.5 8 4 2 42.71 2.117 24 0.083 1 1 15.14 5.850 24 100.0 7 3 1 35.54 2.526 24 2.4 8 2 4 42.71 2.117 24 0.072 2 2 15.82 5.601 8 52.1 5 5 3 35.54 2.526 24 2.6 9 1 3 44.55 2.034 24 0.074 0 0 18.29 4.851 6 27.2 7 1 3 35.54 2.526 24 2.4 9 3 1 44.55 2.034 24 0.073 3 1 19.95 4.451 24 16.3 8 0 0 37.07 2.425 6 0.83 8 4 4 45.82 1.980 24 2.34 2 2 22.45 3.960 24 29.2 7 3 3 37.96 2.370 24 11.0 7 5 5 46.57 1.950 24 0.125 1 1 23.83 3.734 24 67.1 6 4 4 38.25 2.353 24 0.60 9 3 3 46.57 1.950 24 1.93 3 3 23.83 3.734 8 21.7 8 2 2 39.41 2.287 24 13.0 7 7 1 46.57 1.950 24 2.54 4 0 25.98 3.430 12 35.3 6 6 0 39.41 2.287 12 9.4 10 2 0 47.81 1.903 12 0.095 1 3 27.19 3.280 24 40.9 5 5 5 40.25 2.240 8 3.4 8 6 2 47.81 1.903 24 0.575 3 1 27.19 3.280 24 40.5 7 1 5 40.25 2.240 24 0.42 10 0 2 47.81 1.903 12 0.094 4 2 27.58 3.234 24 6.0 7 5 1 40.25 2.240 24 0.45 8 2 6 47.81 1.903 24 0.586 0 2 29.11 3.068 12 6.0 6 6 2 40.53 2.226 24 0.88 9 5 1 48.54 1.876 24 0.106 2 0 29.11 3.068 12 5.9 8 0 4 41.63 2.169 12 1.0 7 7 3 48.54 1.876 24 0.215 3 3 30.21 2.959 24 7.0 8 4 0 41.63 2.169 12 0.99 9 1 5 48.54 1.876 24 0.106 2 2 30.56 2.925 24 0.13 9 1 1 42.44 2.130 24 0.08 10 2 2 48.78 1.867 24 5.94 4 4 31.96 2.800 8 0.02 7 5 3 42.44 2.130 24 0.22 6 6 6 48.78 1.867 8 2.9

MT

ND

odecasil3C

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

MTT Ammonium Fluoride ZSM-23

CHEMICAL COMPOSITION: |(NH4F)1.72| [Si24O48]

REFINED COMPOSITION: |(NH4F)1.72| [Si24O48]



REFERENCE: B. Marler, C. Deroche, H. Gies, C. A. Fyfe, H. Grondey, G. T. Kokotailo,Y. Feng, S. Ernst, J. Weitkamp and D. E. Cox,J. Appl. Cryst. 26 636–644 (1993).


1 0 0 7.94 11.129 2 81.9 1 1 5 28.44 3.138 4 4.8 4 1 3 39.05 2.307 4 2.00 0 2 8.22 10.759 2 100.0 -1 1 5 28.47 3.135 4 5.0 -4 1 3 39.11 2.303 4 1.81 0 1 8.94 9.896 2 21.8 2 1 4 29.11 3.067 4 1.2 4 1 4 40.65 2.220 4 0.61

-1 0 1 8.96 9.875 2 19.0 -2 1 4 29.16 3.062 4 2.0 2 1 8 41.35 2.183 4 0.501 0 2 11.42 7.746 2 33.2 2 0 6 29.60 3.018 2 2.3 0 0 10 41.98 2.152 2 0.84

-1 0 2 11.45 7.725 2 26.0 -2 0 6 29.67 3.011 2 2.4 -1 1 9 42.68 2.119 4 0.611 0 3 14.67 6.036 2 2.7 3 1 0 29.94 2.984 4 0.61 -4 1 5 42.72 2.117 4 0.54

-1 0 3 14.71 6.022 2 4.9 -1 0 7 30.18 2.961 2 0.55 3 2 1 43.71 2.071 4 1.12 0 0 15.93 5.564 2 8.8 3 1 1 30.22 2.957 4 3.3 -3 2 1 43.72 2.070 4 1.90 0 4 16.48 5.380 2 9.4 -3 1 2 31.11 2.874 4 1.6 0 2 6 44.00 2.058 4 3.20 1 1 18.13 4.893 4 2.7 1 1 6 31.67 2.825 4 3.3 3 2 2 44.34 2.043 4 0.791 0 4 18.30 4.848 2 3.7 -1 1 6 31.70 2.822 4 1.3 -3 2 2 44.36 2.042 4 1.0

-1 0 4 18.34 4.839 2 3.4 2 1 5 31.72 2.821 4 0.91 5 1 0 44.52 2.035 4 3.01 1 1 19.82 4.480 4 34.1 -2 1 5 31.78 2.816 4 1.9 2 2 5 44.81 2.022 4 1.5

-1 1 1 19.82 4.478 4 30.2 3 0 5 31.80 2.814 2 5.9 -2 2 5 44.85 2.021 4 1.22 0 3 20.17 4.402 2 5.2 -3 0 5 31.89 2.806 2 4.5 4 1 6 44.96 2.016 4 3.2

-2 0 3 20.22 4.391 2 4.9 4 0 0 32.17 2.782 2 2.1 2 1 9 45.00 2.014 4 0.591 1 2 21.07 4.216 4 30.6 3 1 3 32.47 2.758 4 0.89 -4 1 6 45.06 2.012 4 0.61

-1 1 2 21.09 4.212 4 27.0 -3 1 3 32.52 2.753 4 0.97 -2 1 9 45.08 2.011 4 0.820 1 3 21.59 4.116 4 8.4 4 0 2 33.24 2.695 2 0.48 2 0 10 45.13 2.009 2 1.41 0 5 22.12 4.018 2 0.72 0 0 8 33.31 2.690 2 0.56 -2 0 10 45.22 2.005 2 1.7

-1 0 5 22.16 4.011 2 1.4 1 0 8 34.28 2.616 2 0.77 -3 1 8 45.44 1.996 4 0.522 0 4 22.96 3.873 2 17.1 -1 0 8 34.32 2.613 2 0.63 5 0 5 45.85 1.979 2 0.95

-2 0 4 23.02 3.863 2 18.4 3 1 4 34.33 2.612 4 1.7 0 1 10 45.87 1.978 4 0.761 1 3 23.03 3.862 4 24.7 -3 1 4 34.39 2.607 4 1.0 -5 0 5 45.95 1.975 2 0.91

-1 1 3 23.05 3.858 4 25.2 -2 1 6 34.73 2.583 4 1.4 1 1 10 46.61 1.948 4 0.482 1 0 23.86 3.729 4 2.2 -1 1 7 35.18 2.551 4 0.75 -1 1 10 46.65 1.947 4 0.993 0 0 23.99 3.710 2 25.6 0 2 0 35.74 2.513 2 24.9 3 2 4 46.80 1.941 4 1.32 1 1 24.21 3.676 4 21.0 -4 0 4 36.39 2.469 2 0.53 -3 2 4 46.85 1.939 4 1.1

-2 1 1 24.23 3.674 4 25.8 3 1 5 36.60 2.455 4 2.8 4 1 7 47.60 1.910 4 0.933 0 1 24.34 3.657 2 4.2 1 2 0 36.67 2.451 4 1.1 5 1 4 47.74 1.905 4 0.57

-3 0 1 24.36 3.654 2 4.2 -3 1 5 36.68 2.450 4 5.0 -5 1 4 47.82 1.902 4 0.510 0 6 24.82 3.586 2 44.1 0 2 2 36.73 2.447 4 2.0 5 0 6 48.05 1.893 2 2.32 1 2 25.26 3.526 4 5.9 -1 2 1 36.92 2.435 4 0.52 -5 0 6 48.17 1.889 2 2.4

-2 1 2 25.29 3.522 4 7.0 4 1 0 36.93 2.434 4 6.0 3 2 5 48.58 1.874 4 1.83 0 2 25.38 3.510 2 11.6 4 1 1 37.16 2.419 4 2.1 -3 2 5 48.64 1.872 4 1.2

-3 0 2 25.42 3.504 2 12.3 -4 1 1 37.18 2.418 4 0.94 3 1 9 48.75 1.868 4 0.531 1 4 25.53 3.489 4 3.7 1 2 2 37.64 2.390 4 1.1 4 2 0 48.84 1.865 4 0.72

-1 1 4 25.56 3.485 4 7.7 4 1 2 37.88 2.375 4 1.3 -3 1 9 48.86 1.864 4 0.601 0 6 26.08 3.416 2 4.6 2 1 7 37.90 2.374 4 2.6 2 0 11 49.34 1.847 2 3.5

-1 0 6 26.12 3.411 2 4.7 -4 1 2 37.92 2.373 4 2.0 -2 0 11 49.42 1.844 2 3.12 0 5 26.14 3.409 2 18.1 0 1 8 37.94 2.371 4 0.60 0 2 8 49.65 1.836 4 1.1

-2 0 5 26.21 3.400 2 14.1 -2 1 7 37.96 2.370 4 2.5 -2 2 7 49.67 1.835 4 0.962 1 3 26.93 3.311 4 1.6 1 1 8 38.81 2.320 4 4.8 6 0 2 49.87 1.829 2 0.920 1 5 27.28 3.269 4 3.7 -1 1 8 38.84 2.318 4 2.4 -6 0 2 49.91 1.827 2 0.91

MT

TAm

monium

Fluoride

ZSM

-23

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

MTW ZSM-12, Calcined




X-ray Rietveld refinement, Rexp = 0.058, Rwp = 0.181, RI = 0.069

REFERENCE: C. A. Fyfe, H. Gies, G. T. Kokotailo, B. Marler and D. E. Cox,J. Phys. Chem. 94 3718–3721 (1990).


2 0 0 7.47 11.842 2 78.3 -8 0 2 28.76 3.104 2 0.41 7 1 4 39.06 2.306 4 0.240 0 2 7.63 11.587 2 100.0 -8 0 4 29.41 3.037 2 2.1 2 2 3 39.24 2.296 4 0.54

-2 0 2 8.91 9.929 2 63.6 -2 0 8 29.43 3.035 2 4.1 -9 1 6 39.42 2.286 4 0.462 0 2 12.21 7.251 2 5.0 -4 0 8 29.93 2.985 2 0.42 9 1 1 39.92 2.258 4 2.1

-2 0 4 14.84 5.971 2 7.7 1 1 6 30.35 2.945 4 0.22 3 1 8 40.51 2.227 4 0.344 0 0 14.96 5.921 2 0.44 5 1 3 30.68 2.914 4 0.25 -9 1 7 40.92 2.206 4 0.320 0 4 15.29 5.793 2 8.3 3 1 5 30.85 2.898 4 0.37 -10 0 8 41.24 2.189 2 0.911 1 0 18.09 4.904 4 0.23 -7 1 2 30.86 2.898 4 1.4 -3 1 10 41.25 2.188 4 0.341 1 1 18.73 4.737 4 0.95 6 0 4 31.06 2.880 2 3.9 -8 0 10 41.54 2.174 2 0.394 0 2 18.79 4.722 2 8.8 -7 1 3 31.06 2.879 4 2.7 7 1 5 41.64 2.169 4 0.312 0 4 18.99 4.673 2 3.8 -1 1 7 31.64 2.828 4 0.58 5 1 7 41.83 2.159 4 0.27

-1 1 2 19.20 4.622 4 7.0 7 1 0 31.91 2.804 4 0.71 2 0 10 41.94 2.154 2 0.611 1 2 20.10 4.417 4 4.4 -6 0 8 32.29 2.772 2 0.37 -1 1 10 42.06 2.148 4 0.25

-1 1 3 20.84 4.263 4 0.43 -7 1 5 32.89 2.723 4 1.8 -6 2 2 42.14 2.144 4 0.343 1 0 20.99 4.232 4 75.7 7 1 1 33.13 2.704 4 1.9 4 2 3 42.17 2.143 4 0.31

-3 1 2 21.14 4.202 4 1.1 8 0 2 33.44 2.679 2 0.62 -6 2 3 42.41 2.131 4 0.31-6 0 2 21.46 4.141 2 2.9 3 1 6 33.88 2.646 4 3.1 6 2 0 42.74 2.116 4 0.71-2 0 6 21.93 4.054 2 1.4 -7 1 6 34.46 2.603 4 1.5 0 2 6 43.02 2.102 4 0.713 1 1 21.96 4.048 4 2.3 7 1 2 34.76 2.581 4 2.7 -6 2 4 43.05 2.101 4 0.331 1 3 22.07 4.027 4 0.68 -1 1 8 34.97 2.566 4 0.93 -4 2 6 43.21 2.094 4 0.45

-3 1 3 22.25 3.996 4 0.40 5 1 5 35.77 2.511 4 0.64 9 1 3 43.49 2.081 4 0.256 0 0 22.52 3.947 2 7.0 -5 1 8 35.83 2.506 4 2.1 8 0 6 43.83 2.066 2 0.41

-1 1 4 23.01 3.865 4 0.50 0 2 0 35.83 2.506 2 9.8 -11 1 3 43.96 2.060 4 0.330 0 6 23.03 3.862 2 18.8 -10 0 2 36.33 2.473 2 0.26 -11 1 4 44.04 2.056 4 1.0

-6 0 4 23.08 3.853 2 9.7 -7 1 7 36.39 2.469 4 1.0 -11 1 5 44.48 2.037 4 0.30-4 0 6 23.36 3.809 2 22.6 -2 2 1 36.61 2.455 4 0.59 -4 0 12 44.71 2.027 2 5.03 1 2 23.53 3.781 4 1.2 2 2 0 36.65 2.452 4 0.29 -12 0 6 44.76 2.025 2 0.20

-3 1 4 23.93 3.718 4 2.2 0 2 2 36.69 2.450 4 1.4 -11 1 1 44.88 2.020 4 0.741 1 4 24.51 3.632 4 0.45 -2 2 2 36.99 2.430 4 0.99 -10 0 10 45.69 1.986 2 0.444 0 4 24.55 3.626 2 2.0 1 1 8 37.03 2.428 4 0.67 9 1 4 45.72 1.984 4 1.3

-5 1 1 25.30 3.520 4 6.0 -4 0 10 37.11 2.423 2 1.8 11 1 0 45.87 1.978 4 0.72-5 1 2 25.30 3.520 4 1.1 3 1 7 37.11 2.423 4 1.5 6 2 3 46.30 1.961 4 0.553 1 3 25.60 3.480 4 1.3 -9 1 3 37.18 2.418 4 0.73 -11 1 7 46.42 1.956 4 0.485 1 0 25.88 3.443 4 10.2 -9 1 4 37.52 2.397 4 0.56 -8 2 1 46.88 1.938 4 0.83

-5 1 3 25.90 3.440 4 2.6 -2 2 3 37.79 2.381 4 0.99 -8 2 4 47.01 1.933 4 1.96 0 2 25.97 3.431 2 0.54 -10 0 6 38.05 2.365 2 0.42 -2 2 8 47.02 1.932 4 0.59

-3 1 5 26.10 3.415 4 1.1 -9 1 5 38.28 2.351 4 0.21 -12 0 8 47.17 1.927 2 0.252 0 6 26.36 3.381 2 11.9 -1 1 9 38.45 2.341 4 0.57 11 1 1 47.19 1.926 4 0.26

-6 0 6 26.94 3.310 2 8.1 4 0 8 38.53 2.336 2 0.56 -9 1 10 47.28 1.922 4 0.905 1 1 27.01 3.301 4 0.25 9 1 0 38.64 2.330 4 1.2 8 2 0 47.53 1.913 4 0.50

-5 1 4 27.04 3.297 4 5.7 -7 1 8 38.64 2.330 4 0.22 3 1 10 47.72 1.906 4 1.13 1 4 28.07 3.179 4 6.0 5 1 6 38.70 2.327 4 1.2 6 2 4 48.13 1.890 4 1.3

-1 1 6 28.50 3.132 4 1.0 -4 2 1 38.75 2.324 4 0.22 -1 1 12 49.63 1.837 4 1.05 1 2 28.64 3.117 4 0.72 -5 1 9 38.76 2.323 4 1.6 -11 1 9 49.64 1.836 4 0.53

-3 1 6 28.64 3.117 4 0.27 4 2 0 39.03 2.308 4 0.26 -9 1 11 49.93 1.827 4 0.42

MT

WZSM

-12,Calcined

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

MWW ITQ-1, Calcined (Siliceous MCM-22)




X-ray Rietveld refinement. Rexp = 0.103, Rwp = 0.159, RF = 0.065

REFERENCE: M. A. Camblor, A. Corma, M.-J. Diaz-Cabanas and Ch. Baerlocher,J. Phys. Chem. B 102 44–51 (1998).


0 0 1 3.54 24.945 2 23.9 2 2 3 27.30 3.266 12 1.7 5 1 0 40.83 2.210 12 0.390 0 2 7.09 12.472 2 74.3 1 1 7 28.01 3.185 12 15.1 5 0 5 40.89 2.207 12 0.271 0 0 7.18 12.305 6 90.6 3 0 5 28.16 3.168 12 0.22 4 0 8 41.22 2.190 12 0.401 0 1 8.01 11.035 12 100.0 0 0 8 28.63 3.118 2 0.80 4 2 4 41.44 2.179 24 0.151 0 2 10.10 8.759 12 69.6 2 1 6 28.80 3.100 24 5.7 1 1 11 41.81 2.160 12 1.90 0 3 10.64 8.315 2 2.6 2 0 7 28.95 3.084 12 4.2 3 0 10 42.41 2.131 12 0.411 1 0 12.46 7.104 6 0.34 4 0 1 29.25 3.053 12 1.8 4 2 5 42.91 2.108 24 1.51 0 3 12.85 6.889 12 2.4 1 0 8 29.55 3.023 12 0.45 3 2 8 43.23 2.093 24 0.561 1 1 12.96 6.832 12 8.3 3 1 4 29.84 2.994 24 2.4 5 1 4 43.44 2.083 24 0.900 0 4 14.20 6.236 2 28.6 3 0 6 30.62 2.920 12 0.30 6 0 1 44.32 2.044 12 0.291 1 2 14.35 6.173 12 6.0 4 0 3 31.00 2.885 12 0.34 2 1 11 44.44 2.038 24 1.22 0 0 14.40 6.152 6 15.8 1 1 8 31.33 2.855 12 0.13 4 1 8 44.53 2.035 24 0.312 0 1 14.83 5.973 12 7.0 3 2 0 31.70 2.823 12 2.4 4 2 6 44.65 2.029 24 0.141 0 4 15.93 5.563 12 5.3 3 1 5 31.77 2.817 24 0.41 5 0 7 44.75 2.025 12 0.722 0 2 16.06 5.518 12 13.4 3 2 1 31.90 2.805 24 0.46 6 0 2 44.79 2.024 12 0.121 1 3 16.41 5.401 12 3.0 0 0 9 32.30 2.772 2 0.12 4 3 0 44.80 2.023 12 2.30 0 5 17.78 4.989 2 2.8 4 0 4 32.45 2.759 12 3.7 5 1 5 44.86 2.021 24 0.142 0 3 17.93 4.946 12 1.2 1 0 9 33.13 2.704 12 0.74 4 3 1 44.96 2.016 24 0.342 1 0 19.08 4.651 12 1.8 3 0 7 33.31 2.690 12 0.18 3 1 10 45.01 2.014 24 0.471 0 5 19.20 4.623 12 2.4 3 2 3 33.52 2.673 24 6.3 4 3 2 45.42 1.997 24 0.472 1 1 19.41 4.572 24 1.4 3 1 6 33.99 2.638 24 1.5 3 2 9 45.88 1.978 24 0.442 0 4 20.28 4.380 12 6.2 2 1 8 34.63 2.590 24 4.0 5 2 0 46.07 1.970 12 0.362 1 2 20.38 4.358 24 4.4 1 1 9 34.74 2.582 12 0.20 4 3 3 46.18 1.966 24 0.550 0 6 21.37 4.157 2 3.6 3 2 4 34.89 2.572 24 0.91 5 2 1 46.22 1.964 24 1.73 0 0 21.67 4.102 6 6.4 4 1 3 35.12 2.555 24 1.3 5 1 6 46.54 1.951 24 0.171 1 5 21.77 4.083 12 3.1 2 0 9 35.52 2.527 12 1.8 6 0 4 46.62 1.948 12 1.002 1 3 21.90 4.059 24 0.66 2 2 7 35.69 2.516 12 0.65 4 2 7 46.64 1.947 24 2.13 0 1 21.96 4.047 12 9.9 0 0 10 36.00 2.494 2 0.39 5 2 2 46.67 1.946 24 0.991 0 6 22.57 3.939 12 5.7 3 0 8 36.19 2.482 12 0.39 4 0 10 46.89 1.938 12 0.203 0 2 22.82 3.896 12 20.2 4 0 6 36.33 2.473 12 0.18 4 1 9 47.12 1.929 24 1.12 0 5 22.95 3.875 12 0.94 4 1 4 36.43 2.466 24 0.24 6 0 5 47.96 1.897 12 0.542 1 4 23.87 3.728 24 16.4 3 1 7 36.45 2.465 24 0.33 1 0 13 47.98 1.896 12 0.133 0 3 24.20 3.678 12 0.19 5 0 0 36.51 2.461 6 0.92 5 1 7 48.47 1.878 24 0.171 1 6 24.81 3.588 12 1.0 3 2 5 36.57 2.457 24 0.19 6 1 0 48.51 1.876 12 1.70 0 7 24.99 3.564 2 4.3 5 0 1 36.69 2.449 12 0.48 4 3 5 48.56 1.875 24 0.812 2 0 25.07 3.552 6 5.7 5 0 2 37.24 2.414 12 2.1 4 2 8 48.86 1.864 24 0.132 2 1 25.33 3.517 12 3.0 3 3 0 38.00 2.368 6 2.9 6 1 2 49.10 1.856 24 1.52 0 6 25.86 3.445 12 0.21 3 2 6 38.55 2.335 24 0.48 1 1 13 49.18 1.852 12 0.533 0 4 26.00 3.427 12 4.4 4 0 7 38.67 2.329 12 0.27 5 0 9 49.53 1.840 12 0.441 0 7 26.03 3.423 12 2.4 4 2 0 38.72 2.325 12 0.47 6 0 6 49.56 1.839 12 0.652 2 2 26.08 3.416 12 0.56 2 0 10 38.96 2.312 12 0.16 5 2 5 49.75 1.833 24 0.173 1 0 26.11 3.413 12 30.4 3 1 8 39.13 2.302 24 0.12 2 0 13 49.78 1.832 12 0.852 1 5 26.20 3.402 24 2.8 3 0 9 39.23 2.296 12 1.1 6 1 3 49.82 1.830 24 0.203 1 1 26.36 3.381 24 1.6 0 0 11 39.75 2.268 2 0.38 4 1 10 49.90 1.828 24 0.143 1 2 27.09 3.292 24 8.8 3 2 7 40.78 2.213 24 1.1 4 0 11 49.96 1.825 12 0.23

MW

WIT

Q-1,

Calcined

(Siliceous

MCM

-22)

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

NAB Nabesite

CHEMICAL COMPOSITION: |Na6.96K0.12Ca0.04(H2O)15.68| [Si16.24Be3.92O40]Kvanefjeld Plateau, northwest Ilimaussaq alkaline complex, S. Greenland.

REFINED COMPOSITION: |Na8(H2O)16| [Si16Be4O40]


X-ray single crystal refinement, R1 = 0.028, wR2 = 0.078

REFERENCE: O. V. Petersen, G. Giester, F. Brandstatter and G. Niedermayr,Canadian Mineralogist 40 173–181 (2002).


0 1 1 11.45 7.730 4 3.7 3 2 1 33.61 2.666 8 10.0 2 4 2 42.99 2.104 8 4.81 1 0 12.60 7.025 4 14.7 2 2 3 34.02 2.635 8 22.1 2 1 5 43.08 2.100 8 1.81 1 1 14.63 6.057 8 100.0 0 3 3 34.82 2.577 4 0.04 1 4 3 43.33 2.088 8 1.70 0 2 14.82 5.977 2 53.1 0 2 4 34.85 2.574 4 0.43 4 0 3 43.53 2.079 4 0.400 1 2 17.22 5.148 4 0.54 2 0 4 35.23 2.548 4 9.4 4 2 2 43.92 2.061 8 1.91 0 2 17.40 5.095 4 0.59 0 4 0 35.43 2.533 2 3.2 4 1 3 44.48 2.037 8 1.20 2 0 17.50 5.067 2 37.1 3 0 3 35.65 2.518 4 0.55 2 3 4 44.54 2.034 8 4.22 0 0 18.20 4.874 2 12.6 2 3 2 35.66 2.518 8 8.5 3 3 3 44.90 2.019 8 2.30 2 1 19.02 4.665 4 6.5 1 3 3 36.06 2.491 8 11.3 3 2 4 44.92 2.018 8 0.391 1 2 19.50 4.552 8 20.8 1 2 4 36.09 2.489 8 1.0 0 5 1 45.39 1.998 4 0.212 0 1 19.67 4.513 4 7.5 3 2 2 36.11 2.487 8 3.3 3 4 0 45.40 1.998 4 0.111 2 0 19.75 4.496 4 5.5 0 4 1 36.25 2.478 4 0.82 0 0 6 45.53 1.992 2 1.51 2 1 21.11 4.208 8 1.0 2 1 4 36.36 2.471 8 3.6 1 5 0 45.73 1.984 4 1.12 1 1 21.55 4.123 8 5.8 1 4 0 36.65 2.452 4 0.18 2 2 5 45.92 1.976 8 5.60 2 2 23.01 3.865 4 0.26 3 1 3 36.78 2.444 8 1.6 4 3 0 45.92 1.976 4 1.32 0 2 23.55 3.777 4 2.7 4 0 0 36.88 2.437 2 2.4 3 4 1 46.06 1.971 8 3.10 1 3 24.00 3.708 4 3.2 1 4 1 37.44 2.402 8 1.3 2 4 3 46.38 1.958 8 3.61 0 3 24.13 3.688 4 1.3 4 0 1 37.67 2.388 4 1.4 1 5 1 46.39 1.957 8 8.51 2 2 24.78 3.593 8 0.11 4 1 0 37.97 2.369 4 0.35 0 1 6 46.45 1.955 4 0.022 1 2 25.16 3.539 8 0.90 3 3 0 38.44 2.342 4 0.47 1 0 6 46.52 1.952 4 0.622 2 0 25.36 3.513 4 1.5 0 4 2 38.60 2.332 4 0.08 0 3 5 46.54 1.951 4 0.021 1 3 25.70 3.466 8 38.9 0 1 5 38.70 2.327 4 0.15 4 3 1 46.58 1.950 8 2.02 2 1 26.45 3.370 8 7.6 4 1 1 38.74 2.324 8 1.1 0 4 4 47.02 1.932 4 0.931 3 0 27.96 3.192 4 4.8 1 0 5 38.78 2.322 4 0.04 5 0 1 47.24 1.924 4 1.93 0 1 28.46 3.136 4 0.43 3 3 1 39.20 2.298 8 15.7 4 2 3 47.26 1.923 8 8.00 2 3 28.50 3.132 4 5.2 2 3 3 39.56 2.278 8 0.19 0 5 2 47.36 1.919 4 0.513 1 0 28.85 3.094 4 53.8 2 2 4 39.59 2.276 8 0.46 1 1 6 47.43 1.917 8 3.42 0 3 28.94 3.085 4 0.53 1 4 2 39.74 2.268 8 0.72 5 1 0 47.49 1.914 4 1.11 3 1 28.96 3.084 8 71.4 1 1 5 39.83 2.263 8 1.4 1 3 5 47.52 1.913 8 1.22 2 2 29.50 3.028 8 49.8 4 0 2 39.95 2.257 4 0.02 1 4 4 47.99 1.896 8 0.113 1 1 29.83 2.995 8 31.0 3 2 3 39.98 2.255 8 3.9 3 4 2 48.01 1.895 8 0.740 0 4 29.90 2.989 2 47.5 2 4 0 40.11 2.248 4 0.20 3 1 5 48.09 1.892 8 4.01 2 3 29.97 2.982 8 0.65 0 3 4 40.29 2.238 4 2.7 5 1 1 48.13 1.890 8 1.42 1 3 30.28 2.951 8 4.4 2 4 1 40.85 2.209 8 13.4 1 5 2 48.33 1.883 8 2.50 3 2 30.40 2.941 4 0.68 4 1 2 40.97 2.203 8 0.12 4 3 2 48.52 1.876 8 0.560 1 4 31.20 2.866 4 0.39 4 2 0 41.10 2.196 4 2.7 2 5 0 48.66 1.871 4 0.971 0 4 31.31 2.857 4 1.9 1 3 4 41.39 2.181 8 1.3 4 1 4 49.06 1.857 8 0.763 0 2 31.33 2.855 4 0.02 3 3 2 41.41 2.180 8 0.15 0 2 6 49.14 1.854 4 0.031 3 2 31.78 2.815 8 25.5 0 2 5 41.78 2.162 4 2.6 5 0 2 49.15 1.853 4 0.022 3 0 32.24 2.776 4 1.5 4 2 1 41.82 2.160 8 0.49 2 5 1 49.29 1.849 8 1.31 1 4 32.56 2.750 8 19.1 3 1 4 42.03 2.150 8 12.4 2 0 6 49.42 1.844 4 1.53 1 2 32.59 2.748 8 14.2 2 0 5 42.10 2.146 4 1.1 3 3 4 49.45 1.843 8 0.363 2 0 32.74 2.735 4 0.67 0 4 3 42.27 2.138 4 0.112 3 1 33.13 2.704 8 0.21 1 2 5 42.84 2.111 8 3.7

NAB

Nab

esite

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

NAT Natrolite

CHEMICAL COMPOSITION: |Na16(H2O)16| [Si24Al16O80]Aussig, Bohemia


CRYSTAL DATA: Fdd2 (No. 43)a = 18.30 A b = 18.63 A c = 6.60 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: W. M. Meier,Z. Kristallogr. 113 430–444 (1960).


2 2 0 13.56 6.528 4 59.6 4 2 2 34.88 2.572 8 12.2 1 3 3 43.94 2.061 8 2.11 1 1 15.04 5.890 8 100.0 4 6 0 34.92 2.569 4 0.69 3 1 3 44.02 2.057 8 1.90 4 0 19.05 4.657 2 24.9 6 4 0 35.17 2.552 4 1.3 8 4 0 44.11 2.053 4 1.64 0 0 19.40 4.575 2 16.0 1 7 1 36.74 2.446 8 15.7 5 7 1 44.26 2.046 8 0.221 3 1 20.22 4.391 8 40.5 5 5 1 37.03 2.428 8 0.06 7 5 1 44.50 2.036 8 0.193 1 1 20.39 4.356 8 47.2 7 1 1 37.31 2.410 8 15.3 4 6 2 44.70 2.027 8 0.392 4 0 21.41 4.151 4 22.5 0 8 0 38.66 2.329 2 3.0 6 4 2 44.90 2.019 8 0.594 2 0 21.64 4.106 4 13.6 4 4 2 38.81 2.321 8 5.5 1 9 1 46.23 1.964 8 1.53 3 1 24.50 3.633 8 1.6 3 7 1 39.38 2.288 8 1.3 3 3 3 46.24 1.963 8 3.24 4 0 27.32 3.264 4 3.2 8 0 0 39.39 2.287 2 2.1 9 1 1 47.01 1.933 8 1.11 5 1 27.93 3.195 8 32.0 7 3 1 39.83 2.263 8 0.64 1 5 3 48.30 1.884 8 4.35 1 1 28.29 3.155 8 37.3 0 6 2 39.86 2.261 4 5.2 3 9 1 48.44 1.879 8 0.820 2 2 28.70 3.111 4 11.5 2 8 0 39.95 2.257 4 1.1 5 1 3 48.53 1.876 8 6.02 0 2 28.76 3.104 4 13.8 6 0 2 40.26 2.240 4 3.0 2 8 2 48.89 1.863 8 0.762 2 2 30.35 2.945 8 33.4 8 2 0 40.61 2.221 4 1.7 9 3 1 49.12 1.855 8 0.632 6 0 30.40 2.940 4 2.6 2 6 2 41.12 2.195 8 12.5 6 8 0 49.23 1.851 4 0.056 2 0 30.85 2.899 4 3.8 6 2 2 41.46 2.178 8 10.3 8 2 2 49.46 1.843 8 1.73 5 1 31.22 2.865 8 61.7 6 6 0 41.50 2.176 4 4.3 2 10 0 49.96 1.826 4 6.15 3 1 31.44 2.845 8 54.9 1 1 3 41.63 2.169 8 0.592 4 2 34.73 2.583 8 7.5 4 8 0 43.61 2.075 4 0.61

NAT

Natrolite

504030201002 theta (°)

70

60

50

40

30

20

10

0

NAT Gonnardite

CHEMICAL COMPOSITION: |Na6.42K0.01Ca1.50(H2O)12.37| [Si10.73Al9.22O40]Tvedalen, Langesund District, Norway

REFINED COMPOSITION: |Na6.528Ca1.472(H2O)12H8| [Si10.25Al9.75O40]

CRYSTAL DATA: I42d (No. 122)a = 13.21 A b = 13.21 A c = 6.622 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: F. Mazzi, A. O. Larsen, G. Gottardi and E. Galli,Neues Jarhb. Mineral. Monatsh. 219–228 (1986).


2 0 0 13.41 6.605 4 23.6 3 1 2 34.57 2.595 16 15.2 1 0 3 41.47 2.177 8 0.401 0 1 14.96 5.920 8 62.1 5 1 0 34.62 2.591 8 4.8 6 2 0 43.32 2.089 8 1.42 2 0 19.00 4.670 4 31.9 5 0 1 36.62 2.454 8 0.05 2 1 3 43.78 2.068 16 3.12 1 1 20.14 4.408 16 49.8 4 3 1 36.62 2.454 16 21.9 6 1 1 43.87 2.064 16 0.343 1 0 21.27 4.177 8 17.5 4 0 2 38.50 2.338 8 4.6 5 1 2 44.40 2.040 16 0.344 0 0 27.00 3.303 4 2.1 4 4 0 38.55 2.335 4 5.1 3 0 3 45.99 1.973 8 3.03 2 1 27.83 3.206 16 46.6 5 2 1 39.16 2.300 16 3.0 5 4 1 46.08 1.970 16 2.71 1 2 28.60 3.121 8 17.2 3 3 2 39.74 2.268 8 8.7 3 2 3 48.12 1.891 16 7.42 0 2 30.19 2.960 8 33.4 5 3 0 39.79 2.265 8 1.0 6 3 1 48.21 1.888 16 1.54 2 0 30.26 2.954 8 4.4 4 2 2 40.94 2.204 16 19.7 5 3 2 48.70 1.870 16 2.14 1 1 31.01 2.884 16 100.0 6 0 0 40.99 2.202 4 6.0 6 4 0 49.77 1.832 8 9.8

NAT

Gonnardite

504030201002 theta (°)

70

60

50

40

30

20

10

0

NAT Mesolite

CHEMICAL COMPOSITION: |Na16Ca16(H2O)64| [Si72Al48O240]Poona, India

REFINED COMPOSITION: |Na16Ca16(H2O)64| [Si72Al48O240]



REFERENCE: G. Artioli, J. V. Smith and J. J. Pluth,Acta Cryst. C42 937–942 (1986).


0 4 0 6.24 14.164 2 2.2 0 10 2 31.57 2.834 4 1.4 1 3 3 41.98 2.152 8 0.852 2 0 10.11 8.752 4 0.81 2 8 2 31.65 2.827 8 2.0 8 10 0 42.40 2.132 4 0.682 4 0 11.47 7.717 4 0.90 6 8 0 31.79 2.815 4 1.2 7 13 1 42.46 2.129 8 1.80 8 0 12.50 7.082 2 0.47 5 11 1 32.89 2.723 8 2.9 1 5 3 42.48 2.128 8 1.22 6 0 13.44 6.590 4 65.9 2 20 0 33.09 2.707 4 0.66 1 25 1 42.50 2.127 8 0.411 1 1 14.45 6.130 8 13.1 6 10 0 33.21 2.697 4 0.57 2 26 0 42.64 2.120 4 1.21 3 1 15.11 5.862 8 100.0 3 17 1 33.52 2.673 8 1.3 4 24 0 43.07 2.100 4 0.841 5 1 16.37 5.416 8 14.4 4 4 2 34.22 2.621 8 0.91 1 7 3 43.23 2.093 8 1.91 7 1 18.09 4.905 8 2.9 4 18 0 34.52 2.598 4 0.97 6 10 2 43.48 2.081 8 0.400 12 0 18.80 4.721 2 40.0 5 13 1 34.72 2.584 8 1.5 6 20 0 43.48 2.081 4 1.64 0 0 19.29 4.601 2 26.7 2 12 2 34.75 2.581 8 5.9 8 12 0 43.77 2.068 4 2.03 1 1 19.90 4.462 8 8.7 6 12 0 34.88 2.572 4 1.9 3 1 3 44.09 2.054 8 1.21 9 1 20.16 4.405 8 42.3 4 6 2 34.96 2.566 8 7.9 7 15 1 44.19 2.049 8 0.624 4 0 20.29 4.376 4 0.49 0 14 2 35.27 2.544 4 0.82 1 9 3 44.22 2.048 8 2.43 3 1 20.39 4.355 8 50.1 4 8 2 35.99 2.496 8 0.72 3 3 3 44.33 2.043 8 2.72 12 0 21.15 4.201 4 20.4 3 19 1 36.20 2.482 8 0.96 4 18 2 44.53 2.035 8 0.453 5 1 21.34 4.163 8 3.7 1 21 1 36.35 2.472 8 13.7 0 22 2 44.78 2.024 4 0.414 6 0 21.48 4.136 4 11.5 2 14 2 36.64 2.452 8 1.0 3 5 3 44.81 2.022 8 1.81 11 1 22.49 3.953 8 4.7 6 14 0 36.76 2.445 4 1.3 6 12 2 44.82 2.022 8 0.473 7 1 22.70 3.917 8 6.7 7 1 1 36.88 2.437 8 0.48 3 25 1 44.83 2.022 8 0.604 8 0 23.05 3.858 4 2.4 7 3 1 37.16 2.420 8 15.3 8 14 0 45.34 2.000 4 1.52 14 0 24.02 3.704 4 1.1 4 10 2 37.27 2.413 8 1.0 1 11 3 45.42 1.997 8 1.23 9 1 24.40 3.648 8 1.4 4 20 0 37.27 2.412 4 0.47 3 7 3 45.53 1.992 8 1.34 10 0 24.93 3.572 4 0.67 0 24 0 38.12 2.361 2 2.2 1 27 1 45.67 1.986 8 2.73 11 1 26.38 3.378 8 5.2 7 7 1 38.54 2.336 8 1.1 2 22 2 45.91 1.976 8 0.682 16 0 26.98 3.305 4 1.5 2 16 2 38.72 2.325 8 0.99 4 26 0 46.09 1.969 4 0.454 12 0 27.06 3.295 4 2.0 4 12 2 38.78 2.322 8 1.9 6 14 2 46.36 1.958 8 1.40 2 2 27.44 3.251 4 1.6 5 17 1 38.97 2.311 8 2.3 3 9 3 46.48 1.954 8 5.81 15 1 27.70 3.221 8 28.3 3 21 1 38.98 2.311 8 2.4 5 23 1 46.48 1.954 8 0.815 1 1 27.85 3.203 8 1.2 8 0 0 39.16 2.301 2 1.5 4 20 2 46.79 1.942 8 1.35 3 1 28.21 3.163 8 38.4 2 24 0 39.41 2.287 4 1.9 9 3 1 46.79 1.942 8 2.13 13 1 28.59 3.122 8 1.6 7 9 1 39.62 2.275 8 1.4 1 13 3 46.83 1.940 8 0.880 6 2 28.88 3.092 4 14.1 0 18 2 39.73 2.268 4 7.3 3 11 3 47.64 1.909 8 1.85 5 1 28.92 3.087 8 0.43 6 0 2 40.30 2.238 4 3.9 3 27 1 47.88 1.900 8 1.82 0 2 28.96 3.083 4 13.9 8 6 0 40.35 2.235 4 2.8 1 15 3 48.44 1.879 8 2.22 2 2 29.14 3.065 8 2.1 6 2 2 40.43 2.231 8 1.6 2 24 2 48.57 1.874 8 1.02 4 2 29.65 3.013 8 2.1 4 14 2 40.51 2.227 8 1.4 5 3 3 48.76 1.867 8 4.56 4 0 29.80 2.998 4 1.3 6 4 2 40.82 2.210 8 0.75 8 4 2 48.81 1.866 8 1.65 7 1 29.96 2.983 8 5.5 7 11 1 40.93 2.205 8 0.89 9 9 1 48.85 1.864 8 1.72 18 0 30.00 2.978 4 4.2 2 18 2 40.98 2.202 8 15.0 8 18 0 49.05 1.857 4 0.881 17 1 30.49 2.932 8 2.5 6 18 0 41.09 2.197 4 9.6 5 5 3 49.21 1.851 8 1.12 6 2 30.50 2.931 8 51.0 8 8 0 41.26 2.188 4 0.70 5 25 1 49.22 1.851 8 0.556 6 0 30.64 2.917 4 5.6 6 6 2 41.47 2.178 8 10.9 2 30 0 49.25 1.850 4 5.53 15 1 30.98 2.887 8 99.2 1 1 3 41.72 2.165 8 1.2 8 6 2 49.38 1.846 8 2.55 9 1 31.29 2.858 8 79.3 3 23 1 41.86 2.158 8 1.2 5 7 3 49.88 1.828 8 2.4

NAT

Mesolite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

NAT Scolecite

CHEMICAL COMPOSITION: |Ca4(H2O)12| [Si12Al8O40]Bombay, India


CRYSTAL DATA: C1c1 (No. 9; unique axis b, cell choice 1)a = 6.5222 A b = 18.9678 A c = 9.8398 Aα = 90◦ β = 109.972◦ γ = 90◦


REFERENCE: J. V. Smith, J. J. Pluth, G. Artioli and F. K. Ross,in Proceedings of the 6th International Zeolite Conference, Reno 1983,Ed. by D. H. Olson and A. Bisio (Butterworth: Guildford) 842–850 (1984).


0 2 0 9.32 9.484 2 0.07 0 4 3 34.71 2.585 4 2.0 -1 5 4 43.89 2.063 4 0.990 2 1 13.37 6.621 4 49.3 -2 2 3 34.80 2.578 4 2.8 1 5 3 44.13 2.052 4 1.5

-1 1 1 15.10 5.869 4 100.0 2 4 0 34.85 2.574 4 1.2 -3 3 2 44.28 2.046 4 2.41 1 0 15.19 5.833 4 13.1 2 2 1 35.14 2.554 4 2.0 -3 1 3 44.29 2.045 4 0.130 4 0 18.71 4.742 2 37.5 -1 7 1 36.20 2.481 4 3.0 -2 6 3 44.32 2.044 4 0.550 0 2 19.19 4.624 2 35.1 1 7 0 36.25 2.478 4 5.2 -3 3 1 44.38 2.041 4 2.7

-1 3 1 20.11 4.416 4 26.1 -1 5 3 36.52 2.460 4 0.58 -2 4 4 44.53 2.034 4 2.61 3 0 20.18 4.401 4 24.4 1 5 2 36.72 2.447 4 3.3 3 1 0 44.60 2.032 4 5.0

-1 1 2 20.26 4.383 4 42.7 -1 1 4 36.87 2.438 4 6.3 2 6 1 44.60 2.032 4 1.71 1 1 20.47 4.338 4 10.3 1 1 3 37.15 2.420 4 9.5 2 4 2 44.95 2.017 4 0.160 4 1 21.05 4.220 4 12.3 0 8 0 37.95 2.371 2 0.93 -1 9 1 45.48 1.994 4 2.20 2 2 21.38 4.156 4 7.8 -2 4 3 38.60 2.332 4 2.8 1 9 0 45.51 1.993 4 0.65

-1 3 2 24.26 3.669 4 4.6 -1 7 2 38.78 2.322 4 4.1 -3 3 3 46.42 1.956 4 8.41 3 1 24.44 3.642 4 10.6 1 7 1 38.90 2.315 4 1.3 -1 1 5 46.43 1.956 4 1.30 4 2 26.93 3.311 4 2.2 2 4 1 38.92 2.314 4 0.98 3 3 0 46.72 1.944 4 0.73

-1 5 1 27.60 3.232 4 10.4 0 0 4 38.95 2.312 2 2.3 1 1 4 46.73 1.944 4 0.321 5 0 27.65 3.226 4 9.0 0 8 1 39.22 2.297 4 4.0 -2 8 1 47.41 1.918 4 1.2

-1 1 3 28.00 3.187 4 9.6 -1 3 4 39.32 2.291 4 0.86 -1 9 2 47.64 1.909 4 0.490 6 0 28.23 3.161 2 0.21 1 3 3 39.59 2.276 4 0.82 1 9 1 47.74 1.905 4 3.91 1 2 28.26 3.158 4 15.2 -2 6 1 39.71 2.270 4 8.0 0 10 0 47.96 1.897 2 1.4

-2 0 2 28.93 3.086 2 6.1 -2 0 4 40.03 2.252 2 3.4 -2 8 2 48.41 1.880 4 1.5-2 2 1 28.95 3.084 4 9.3 0 2 4 40.14 2.246 4 4.7 0 8 3 48.43 1.879 4 0.902 0 0 29.13 3.065 2 7.3 2 0 2 40.48 2.228 2 0.45 -1 3 5 48.48 1.878 4 0.830 6 1 29.87 2.991 4 6.3 -2 6 2 40.87 2.208 4 9.7 2 8 0 48.54 1.875 4 0.14

-2 2 2 30.46 2.934 4 31.5 0 6 3 40.89 2.207 4 9.9 -3 5 1 48.56 1.875 4 1.70 2 3 30.49 2.932 4 11.5 2 6 0 41.01 2.201 4 3.0 -3 1 4 48.58 1.874 4 1.72 2 0 30.65 2.916 4 13.1 -2 2 4 41.19 2.191 4 4.7 1 3 4 48.78 1.867 4 3.0

-1 5 2 30.81 2.902 4 33.9 2 2 2 41.64 2.169 4 8.0 0 6 4 48.80 1.866 4 2.61 5 1 30.96 2.889 4 54.7 -3 1 2 42.07 2.148 4 1.2 -2 2 5 49.00 1.859 4 0.02

-1 3 3 31.07 2.878 4 26.2 -3 1 1 42.18 2.143 4 3.0 0 10 1 49.02 1.858 4 3.51 3 2 31.31 2.857 4 52.9 0 8 2 42.86 2.110 4 1.3 3 1 1 49.07 1.857 4 3.2

-2 4 1 33.35 2.687 4 1.0 0 4 4 43.55 2.078 4 3.3 2 2 3 49.51 1.841 4 4.30 6 2 34.36 2.610 4 1.6 -1 7 3 43.58 2.077 4 0.05 -2 6 4 49.70 1.834 4 0.45

-2 4 2 34.68 2.586 4 3.6 1 7 2 43.76 2.069 4 0.88

NAT

Scolecite

504030201002 theta (°)

60

50

40

30

20

10

0

NES NU-87

CHEMICAL COMPOSITION: |(H2O)20| [Si68O136]

REFINED COMPOSITION: |(H2O)20| [Si68O136]



REFERENCE: M. D. Shannon, J. L. Casci, P. A. Cox and S. J. Andrews,Nature 353 417–420 (1991).


-1 0 2 7.05 12.546 2 10.9 -4 2 6 26.15 3.407 4 1.1 -1 0 6 33.99 2.637 2 0.680 2 0 7.90 11.188 2 100.0 -2 2 6 26.29 3.389 4 0.98 -3 7 4 34.07 2.632 4 0.47

-1 1 1 8.34 10.597 4 12.9 2 1 0 26.39 3.377 4 3.1 -2 8 4 35.13 2.555 4 1.20 1 1 8.38 10.553 4 19.6 -3 4 6 26.61 3.349 4 1.3 2 6 0 35.64 2.519 4 0.67

-1 2 2 10.59 8.350 4 9.3 -4 1 5 26.65 3.345 4 6.0 -5 0 10 35.79 2.509 2 3.90 2 1 10.83 8.173 4 0.48 -1 1 5 26.82 3.324 4 1.9 -4 6 5 35.83 2.506 4 0.661 0 0 12.96 6.832 2 5.7 -1 6 3 26.99 3.303 4 0.47 -5 2 10 36.71 2.448 4 2.2

-2 1 3 12.99 6.814 4 2.4 -3 0 2 27.01 3.301 2 0.89 0 9 1 36.93 2.434 4 0.371 1 0 13.55 6.534 4 0.53 1 0 2 27.10 3.290 2 1.1 -3 8 5 37.37 2.406 4 0.46

-1 3 1 13.97 6.339 4 0.35 1 6 0 27.24 3.273 4 3.5 -4 6 8 37.47 2.400 4 0.660 3 1 13.99 6.330 4 1.4 2 2 0 27.30 3.267 4 13.2 -3 8 4 37.56 2.395 4 0.92

-2 0 4 14.12 6.273 2 0.60 0 4 3 27.46 3.248 4 0.53 -5 1 5 37.59 2.393 4 0.84-2 2 4 16.20 5.472 4 3.7 -3 5 5 27.46 3.248 4 4.4 -1 8 4 37.62 2.391 4 1.0-2 3 3 17.17 5.163 4 0.95 -2 5 5 27.52 3.241 4 5.3 -4 7 6 37.74 2.383 4 0.381 3 0 17.60 5.038 4 0.43 -1 2 5 27.71 3.220 4 1.9 0 1 5 37.80 2.380 4 0.59

-3 0 4 19.15 4.635 2 0.42 -2 6 4 27.83 3.206 4 0.83 -3 8 6 38.73 2.325 4 0.58-3 1 5 19.22 4.619 4 8.3 -2 6 2 28.15 3.170 4 0.67 -3 5 1 38.76 2.323 4 0.46-2 1 5 19.29 4.600 4 11.1 -2 5 1 28.16 3.168 4 1.8 2 5 1 38.80 2.321 4 0.33-2 1 1 20.19 4.399 4 1.9 -3 2 2 28.18 3.166 4 0.45 -5 3 5 39.34 2.290 4 0.771 1 1 20.23 4.389 4 4.1 0 6 2 28.20 3.165 4 0.50 -5 4 5 40.82 2.211 4 0.38

-3 2 5 20.42 4.349 4 1.6 1 5 1 28.20 3.165 4 1.1 -5 5 10 41.25 2.189 4 0.72-2 2 5 20.49 4.334 4 0.35 1 2 2 28.27 3.157 4 0.49 -4 8 5 41.91 2.156 4 0.561 4 0 20.52 4.328 4 26.6 -4 0 8 28.46 3.136 2 1.3 1 10 0 42.51 2.126 4 0.37

-1 2 4 20.86 4.259 4 1.6 -1 7 1 28.90 3.089 4 0.98 0 5 5 42.85 2.111 4 0.36-2 4 4 21.28 4.175 4 6.7 0 7 1 28.91 3.088 4 1.3 3 4 0 42.88 2.109 4 0.59-3 3 5 22.29 3.989 4 10.7 -4 3 5 28.98 3.081 4 1.00 -6 5 9 42.98 2.105 4 0.55-2 3 5 22.35 3.977 4 12.5 -1 3 5 29.14 3.065 4 0.89 -3 5 9 43.18 2.095 4 0.51-1 3 4 22.69 3.919 4 0.46 -4 4 6 29.64 3.014 4 0.36 -6 0 12 43.27 2.091 2 1.1-3 2 6 22.70 3.917 4 13.1 -2 4 6 29.77 3.001 4 0.41 -7 1 11 44.49 2.036 4 0.39-2 3 1 23.14 3.844 4 0.72 -3 5 3 29.92 2.987 4 0.67 3 5 0 44.65 2.030 4 0.801 3 1 23.17 3.838 4 1.4 0 5 3 30.01 2.978 4 0.50 -4 1 11 44.73 2.026 4 0.39

-2 5 3 23.45 3.794 4 1.2 -3 6 5 30.55 2.926 4 1.8 -4 9 5 45.26 2.003 4 0.59-1 5 3 23.49 3.788 4 0.39 -3 6 4 30.77 2.906 4 0.89 -2 10 1 45.29 2.002 4 0.441 5 0 23.77 3.743 4 2.9 -4 2 4 30.78 2.905 4 0.46 -1 9 5 45.37 1.999 4 0.510 6 0 23.86 3.729 2 9.2 -1 6 4 30.85 2.898 4 0.92 0 0 6 45.48 1.995 2 0.58

-3 4 5 24.68 3.608 4 1.6 -4 4 5 30.89 2.895 4 0.60 3 6 0 46.74 1.944 4 1.0-2 4 5 24.74 3.599 4 0.40 -4 3 8 30.93 2.891 4 0.48 0 7 5 47.45 1.916 4 0.36-3 4 4 24.95 3.569 4 1.4 -1 4 5 31.04 2.881 4 0.42 -7 4 10 47.69 1.907 4 0.69-1 6 1 25.00 3.562 4 0.80 1 6 1 31.22 2.865 4 1.2 -3 4 10 47.97 1.897 4 0.96-1 4 4 25.04 3.556 4 0.35 -3 4 2 31.47 2.843 4 0.41 -5 8 10 48.75 1.868 4 1.2-2 4 1 25.45 3.500 4 0.56 -4 4 8 32.73 2.736 4 0.34 -7 5 11 48.97 1.860 4 0.441 4 1 25.49 3.495 4 0.45 -1 8 2 32.81 2.730 4 0.77 3 7 0 49.12 1.855 4 0.39

-4 1 7 25.96 3.432 4 0.86 0 6 3 32.88 2.724 4 0.33 -4 5 11 49.20 1.852 4 0.48-3 1 7 26.05 3.421 4 1.7 -1 5 5 33.33 2.688 4 0.71 1 11 1 49.20 1.852 4 0.362 0 0 26.09 3.416 2 7.4 -5 0 6 33.77 2.654 2 0.47 -3 5 10 49.59 1.838 4 0.34

NES

NU

-87

504030201002 theta (°)

30

25

20

15

10

5

0

NES Gottardiite

CHEMICAL COMPOSITION: |Na2.5K0.2Mg3.1Ca4.9(H2O)93| [Si117.2Al18.8O272]Mt. Adamson, Northern Victoria Land, Antarctica

REFINED COMPOSITION: |Na66.8|† [Si115.6Al20.4O272]

CRYSTAL DATA: Cmce (No. 64)a = 13.698 A b = 25.213 A c = 22.660 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦

X-ray single crystal refinement, RF = 0.1195, Rw = 0.0968

REFERENCE: A. Alberti, G. Vezzalini, E. Galli and S. Quartieri,Eur. J. Mineral. 8 69–75 (1996).


0 2 0 7.01 12.606 2 1.1 3 1 5 27.96 3.191 8 9.0 5 1 5 38.57 2.334 8 1.60 0 2 7.80 11.330 2 100.0 4 2 2 28.13 3.173 8 0.64 5 5 3 39.28 2.294 8 1.81 1 1 8.32 10.630 8 42.9 1 7 3 28.21 3.163 8 0.38 6 0 0 39.47 2.283 2 0.280 2 2 10.50 8.427 4 4.0 0 8 0 28.32 3.152 2 1.6 4 8 2 39.67 2.272 8 0.311 1 2 10.72 8.250 8 0.53 1 1 7 28.55 3.126 8 2.2 1 5 9 40.59 2.223 8 0.372 0 0 12.93 6.849 2 3.6 3 5 3 28.91 3.089 8 4.5 0 10 5 40.96 2.203 4 0.331 3 1 12.96 6.830 8 2.5 2 6 4 29.50 3.027 8 1.9 3 1 9 41.09 2.196 8 1.21 1 3 13.84 6.398 8 3.1 3 3 5 29.74 3.004 8 1.8 3 5 8 41.57 2.172 8 0.260 4 0 14.05 6.303 2 0.61 1 5 6 30.28 2.952 8 4.4 4 6 6 41.58 2.172 8 0.652 2 0 14.72 6.018 4 0.51 2 4 6 30.52 2.929 8 3.9 1 11 3 41.70 2.166 8 0.250 4 2 16.09 5.508 4 4.1 4 4 2 30.74 2.908 8 1.0 2 0 10 42.00 2.151 4 1.62 2 2 16.68 5.315 8 2.9 3 5 4 30.77 2.906 8 3.7 6 4 0 42.09 2.147 4 0.831 3 3 17.06 5.198 8 1.3 4 2 4 31.34 2.855 8 1.2 5 5 5 42.52 2.126 8 0.261 5 1 19.16 4.632 8 17.9 2 8 1 31.50 2.840 8 0.29 2 2 10 42.63 2.121 8 0.233 1 1 20.15 4.407 8 11.4 2 6 5 31.84 2.810 8 0.29 6 0 4 42.70 2.118 4 1.51 5 2 20.34 4.367 8 1.4 3 7 1 31.89 2.806 8 2.6 3 9 5 42.80 2.113 8 0.402 0 4 20.34 4.365 4 36.1 2 8 2 32.25 2.776 8 0.66 0 8 8 42.93 2.107 4 0.242 4 2 20.69 4.292 8 3.3 0 2 8 32.39 2.764 4 2.9 0 12 0 43.05 2.101 2 1.20 4 4 21.08 4.213 4 9.4 1 7 5 32.42 2.762 8 0.29 3 11 1 44.40 2.040 8 0.480 6 0 21.14 4.202 2 0.32 1 9 1 32.87 2.725 8 0.34 2 4 10 44.50 2.036 8 0.292 2 4 21.54 4.125 8 1.2 3 5 5 33.03 2.712 8 1.3 5 5 6 44.64 2.030 8 1.01 5 3 22.17 4.010 8 30.2 4 6 0 33.76 2.655 4 1.5 5 3 7 44.65 2.029 8 0.410 6 2 22.57 3.940 4 19.9 3 1 7 34.14 2.626 8 0.57 4 10 1 44.82 2.022 8 0.333 1 3 23.03 3.861 8 3.7 2 0 8 34.26 2.617 4 0.28 3 5 9 44.87 2.020 8 0.381 3 5 23.22 3.830 8 2.6 2 6 6 34.51 2.599 8 1.1 2 12 0 45.14 2.009 4 0.430 0 6 23.56 3.777 2 10.3 4 6 2 34.71 2.585 8 0.37 6 6 0 45.20 2.006 4 1.21 5 4 24.51 3.632 8 3.6 0 4 8 34.72 2.584 4 3.1 0 10 7 45.60 1.989 4 0.272 2 5 24.59 3.620 8 0.24 1 9 3 34.78 2.580 8 0.65 1 3 11 45.83 1.980 8 0.310 2 6 24.61 3.618 4 1.5 4 0 6 35.38 2.537 4 1.1 4 8 6 45.92 1.976 8 0.492 4 4 24.81 3.589 8 1.2 0 10 0 35.61 2.521 2 5.9 6 0 6 46.48 1.954 4 1.82 6 0 24.86 3.582 4 1.3 3 5 6 35.62 2.521 8 0.45 5 5 7 47.04 1.932 8 1.11 7 1 25.88 3.443 8 5.2 0 10 1 35.83 2.506 4 1.6 3 9 7 47.30 1.922 8 0.284 0 0 26.02 3.424 2 14.1 4 2 6 36.11 2.487 8 0.47 2 6 10 47.48 1.915 8 0.492 6 2 26.09 3.415 8 2.7 0 10 2 36.51 2.461 4 3.1 1 13 1 47.52 1.913 8 0.580 6 4 26.41 3.375 4 2.4 1 5 8 36.99 2.430 8 0.36 4 10 4 47.57 1.911 8 2.13 5 1 26.63 3.347 8 8.2 0 8 6 37.15 2.420 4 0.22 7 1 3 48.17 1.889 8 0.242 0 6 26.96 3.307 4 7.8 2 4 8 37.19 2.417 8 2.8 0 10 8 48.33 1.883 4 1.74 2 0 26.98 3.305 4 1.6 5 5 1 37.57 2.394 8 1.8 3 5 10 48.34 1.883 8 0.274 0 2 27.20 3.278 4 22.6 0 10 3 37.61 2.392 4 0.25 3 1 11 48.62 1.873 8 1.61 5 5 27.25 3.273 8 13.9 3 9 1 37.89 2.375 8 1.0 3 11 5 48.79 1.867 8 2.33 5 2 27.50 3.243 8 2.2 5 5 2 38.22 2.355 8 0.80 1 9 9 49.10 1.855 8 0.332 4 5 27.52 3.241 8 0.24 2 10 1 38.24 2.353 8 0.59 1 11 7 49.16 1.853 8 0.570 4 6 27.53 3.240 4 0.32 0 6 8 38.32 2.349 4 1.6 7 3 3 49.31 1.848 8 0.242 6 3 27.56 3.236 8 0.64 1 9 5 38.34 2.348 8 0.56 5 5 8 49.70 1.834 8 1.32 2 6 27.89 3.199 8 2.3 3 5 7 38.48 2.339 8 0.71 3 3 11 49.75 1.833 8 0.51

The space group symbol Cmce now replaces the older form, Cmca.†Na atoms represent unresolved cations and water in the channels.

NES

Gottardiite

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

NON 2-aminopentane Nonasil

CHEMICAL COMPOSITION: |(C5H11NH2)4| [Si88O176]C5H11NH2 = 2-aminopentane




REFERENCE: B. Marler, N. Dehnbostel, H. H. Eulert, H. Gies and F. Liebau,J. Inclusion Phenomena 4 339–349 (1986).


2 0 0 7.95 11.116 2 24.5 5 3 3 33.37 2.685 8 11.0 1 7 1 42.75 2.115 8 0.491 1 1 9.61 9.198 8 52.7 6 4 0 33.95 2.641 4 0.38 10 0 2 42.78 2.114 4 2.30 2 0 11.75 7.529 2 5.4 7 3 1 34.05 2.633 8 0.24 5 3 5 42.89 2.109 8 0.210 0 2 12.99 6.814 2 4.3 8 2 0 34.40 2.607 4 0.45 4 0 6 43.02 2.102 4 0.752 2 0 14.21 6.234 4 2.9 8 0 2 34.87 2.573 4 1.0 6 4 4 43.35 2.087 8 0.213 1 1 14.82 5.976 8 1.6 7 1 3 34.98 2.565 8 2.0 6 6 0 43.55 2.078 4 0.162 0 2 15.25 5.809 4 2.8 0 4 4 35.54 2.526 4 2.1 8 2 4 43.72 2.070 8 0.400 2 2 17.55 5.052 4 0.07 3 1 5 35.60 2.522 8 0.69 7 1 5 44.20 2.049 8 0.121 3 1 19.26 4.608 8 61.7 0 6 0 35.78 2.510 2 11.4 3 7 1 44.35 2.043 8 0.312 2 2 19.30 4.599 8 14.4 6 0 4 35.80 2.508 4 1.3 4 2 6 44.75 2.025 8 0.064 2 0 19.85 4.472 4 31.2 2 4 4 36.48 2.463 8 0.09 0 6 4 44.86 2.021 4 0.054 0 2 20.62 4.307 4 100.0 6 4 2 36.49 2.462 8 2.3 1 5 5 45.05 2.012 8 0.521 1 3 20.81 4.268 8 30.3 5 5 1 36.64 2.453 8 2.6 9 3 3 45.54 1.992 8 1.85 1 1 21.84 4.070 8 0.24 2 6 0 36.71 2.448 4 3.5 2 6 4 45.63 1.988 8 0.363 3 1 22.36 3.975 8 47.3 8 2 2 36.92 2.435 8 4.2 6 6 2 45.64 1.988 8 0.390 4 0 23.63 3.764 2 4.7 9 1 1 37.48 2.400 8 1.4 11 1 1 45.78 1.982 8 0.033 1 3 23.72 3.751 8 10.4 1 3 5 37.78 2.381 8 2.6 7 5 3 46.09 1.969 8 0.394 2 2 23.80 3.738 8 2.0 6 2 4 37.81 2.379 8 0.24 3 5 5 46.58 1.950 8 0.376 0 0 24.02 3.705 2 21.8 0 6 2 38.22 2.355 4 0.24 0 4 6 46.71 1.945 4 1.22 4 0 24.97 3.566 4 26.1 7 3 3 38.98 2.311 8 3.1 1 7 3 46.91 1.937 8 2.40 0 4 26.16 3.407 2 5.4 2 6 2 39.10 2.304 8 0.85 6 0 6 46.92 1.936 4 2.51 3 3 26.77 3.330 8 24.4 4 4 4 39.17 2.300 8 1.5 1 1 7 47.26 1.923 8 1.26 2 0 26.82 3.325 4 3.5 5 1 5 39.23 2.296 8 3.5 5 7 1 47.42 1.917 8 0.700 4 2 27.06 3.295 4 0.04 4 6 0 39.39 2.287 4 1.8 2 4 6 47.46 1.916 8 0.132 0 4 27.38 3.257 4 26.4 3 3 5 39.54 2.279 8 4.0 10 4 0 47.49 1.914 4 0.106 0 2 27.40 3.255 4 0.37 0 0 6 39.68 2.271 2 0.80 7 3 5 47.55 1.912 8 0.645 3 1 27.59 3.233 8 14.7 8 4 0 40.34 2.236 4 1.6 4 6 4 47.90 1.899 8 2.54 4 0 28.64 3.117 4 1.6 2 0 6 40.54 2.225 4 0.27 9 5 1 48.11 1.891 8 0.585 1 3 28.71 3.109 8 3.2 10 0 0 40.58 2.223 2 0.02 0 8 0 48.35 1.882 2 0.620 2 4 28.76 3.104 4 0.47 9 3 1 41.27 2.188 8 0.04 3 7 3 48.40 1.881 8 0.043 3 3 29.12 3.066 8 1.9 5 5 3 41.30 2.186 8 1.7 6 2 6 48.54 1.875 8 0.027 1 1 29.48 3.030 8 2.1 0 2 6 41.53 2.174 4 1.3 3 1 7 48.74 1.868 8 0.022 2 4 29.89 2.989 8 4.5 4 6 2 41.65 2.168 8 0.19 8 6 0 48.90 1.863 4 1.26 2 2 29.90 2.988 8 1.9 7 5 1 41.87 2.158 8 0.06 2 8 0 49.09 1.856 4 0.181 5 1 30.67 2.915 8 1.1 8 0 4 41.95 2.153 4 0.02 10 4 2 49.45 1.843 8 1.14 4 2 31.56 2.834 8 4.2 9 1 3 42.07 2.148 8 0.70 5 5 5 49.55 1.840 8 0.078 0 0 32.21 2.779 2 1.7 2 2 6 42.35 2.134 8 0.11 4 4 6 49.67 1.836 8 0.183 5 1 32.76 2.733 8 3.2 10 2 0 42.39 2.132 4 0.85 11 1 3 49.75 1.833 8 1.34 2 4 33.06 2.710 8 0.08 8 4 2 42.56 2.124 8 0.78

NO

N2-am

inopentane

Nonasil

504030201002 theta (°)

70

60

50

40

30

20

10

0

NPO LiH oxonitridophosphate chloride

CHEMICAL COMPOSITION: |Li8H4.5Cl2.5| [P12O2N22]

REFINED COMPOSITION: |Li5.88Cl2.56| [P12N24]



REFERENCE: S. Correll, O. Oeckler, N. Stock, W. Schnick,Angew. Chem., Int. Ed. 42 3549–3552 (2003).


0 1 1 12.46 7.104 4 52.5 0 5 1 33.37 2.685 4 18.2 2 0 2 44.04 2.056 4 0.780 2 0 12.46 7.104 2 27.4 1 3 2 34.54 2.597 8 15.3 2 3 1 44.04 2.056 8 3.11 1 0 19.70 4.507 4 0.05 1 5 0 36.85 2.439 4 0.26 1 6 1 44.13 2.052 8 2.50 0 2 21.67 4.102 2 24.8 2 0 0 37.86 2.376 2 19.3 0 0 4 44.16 2.051 2 3.50 3 1 21.67 4.101 4 43.7 0 3 3 38.00 2.368 4 0.69 0 6 2 44.16 2.051 4 6.31 1 1 22.51 3.950 8 100.0 0 6 0 38.00 2.368 2 0.27 2 1 2 44.52 2.035 8 1.11 2 0 22.51 3.950 4 53.1 2 1 0 38.40 2.344 4 0.07 2 2 2 45.95 1.975 8 0.251 2 1 25.02 3.559 8 6.7 1 1 3 38.51 2.338 8 11.7 2 4 0 45.95 1.975 4 0.010 2 2 25.07 3.552 4 38.2 1 4 2 38.51 2.338 8 13.6 1 4 3 46.04 1.972 8 1.00 4 0 25.07 3.552 2 20.8 1 5 1 38.51 2.338 8 15.7 0 2 4 46.07 1.970 4 2.01 3 0 26.57 3.355 4 5.7 2 0 1 39.48 2.283 4 2.6 0 5 3 46.07 1.970 4 2.81 3 1 28.75 3.105 8 0.14 2 1 1 40.00 2.254 8 13.1 0 7 1 46.07 1.970 4 2.71 1 2 29.44 3.034 8 15.6 2 2 0 40.00 2.254 4 5.3 2 4 1 47.34 1.920 8 1.91 2 2 31.44 2.845 8 0.18 1 2 3 40.11 2.248 8 4.7 2 3 2 48.25 1.886 8 1.91 4 0 31.44 2.845 4 0.32 2 2 1 41.55 2.173 8 1.6 1 6 2 48.34 1.883 8 0.051 4 1 33.33 2.688 8 8.1 1 3 3 42.66 2.120 8 0.58 1 1 4 48.79 1.867 8 3.60 1 3 33.37 2.685 4 17.9 1 6 0 42.66 2.120 4 0.84 1 7 0 48.79 1.867 4 3.50 4 2 33.37 2.685 4 19.8 1 5 2 43.15 2.096 8 1.2

NPO

LiH

oxonitridophosphatechloride

504030201002 theta (°)

60

50

40

30

20

10

0

NPO NPO, SiO2 Framework




GULPa refinement as a silicate

REFERENCE: M. M. J. Treacy,This work, (2004).


0 2 0 11.36 7.787 2 50.8 0 3 3 34.70 2.585 4 10.3 0 2 4 42.04 2.149 4 0.650 1 1 11.41 7.756 4 100.0 1 5 1 35.33 2.540 8 4.4 1 4 3 42.18 2.142 8 0.351 1 0 18.51 4.793 4 0.16 1 4 2 35.38 2.537 8 4.6 2 2 2 42.81 2.112 8 0.030 3 1 19.77 4.490 4 0.26 1 1 3 35.46 2.532 8 4.2 2 4 1 43.99 2.058 8 0.260 0 2 19.85 4.472 2 0.14 2 0 0 35.64 2.519 2 6.8 1 7 0 44.52 2.035 4 0.191 2 0 21.00 4.230 4 24.3 1 2 3 36.89 2.437 8 0.14 1 1 4 44.72 2.026 8 1.51 1 1 21.03 4.225 8 47.5 2 2 0 37.53 2.397 4 1.3 2 3 2 44.84 2.021 8 0.230 4 0 22.84 3.894 2 13.8 2 1 1 37.54 2.396 8 2.5 1 7 1 45.72 1.985 8 0.750 2 2 22.93 3.878 4 26.9 2 2 1 38.90 2.315 8 0.11 1 5 3 45.82 1.980 8 0.901 2 1 23.26 3.824 8 1.2 1 6 0 39.03 2.307 4 0.40 1 2 4 45.91 1.977 8 0.761 3 0 24.62 3.615 4 0.54 1 3 3 39.16 2.300 8 0.72 2 5 0 46.36 1.959 4 0.141 1 2 27.27 3.270 8 3.6 1 5 2 39.54 2.279 8 1.0 0 8 0 46.66 1.947 2 0.881 4 0 28.98 3.081 4 0.03 2 3 0 39.77 2.266 4 0.04 0 4 4 46.86 1.939 4 1.61 2 2 29.06 3.073 8 0.05 0 6 2 40.17 2.245 4 0.54 2 0 3 47.24 1.924 4 0.360 5 1 30.39 2.942 4 0.14 0 0 4 40.34 2.236 2 0.23 2 5 1 47.52 1.913 8 0.260 4 2 30.44 2.936 4 0.14 1 6 1 40.37 2.234 8 1.1 2 4 2 47.56 1.912 8 0.190 1 3 30.53 2.928 4 0.15 2 3 1 41.09 2.197 8 0.42 2 1 3 47.62 1.910 8 0.231 4 1 30.69 2.913 8 1.7 2 0 2 41.13 2.195 4 0.17 1 3 4 47.83 1.902 8 0.891 3 2 31.83 2.811 8 2.4 2 1 2 41.55 2.173 8 0.06 2 2 3 48.75 1.868 8 0.521 5 0 33.83 2.649 4 0.29 0 7 1 41.84 2.159 4 0.57 1 7 2 49.18 1.852 8 0.390 6 0 34.55 2.596 2 5.2 0 5 3 41.95 2.154 4 0.60 1 6 3 49.98 1.825 8 0.22

a J. D. Gale, “GULP: A computer program for the symmetry-adapted simulation of solids”,

J. Chem. Soc., Faraday Trans. 93 629–637 (1997).

NPO

NPO

,SiO

2Fram

ework

504030201002 theta (°)

60

50

40

30

20

10

0





DLS76 refinement (R = 0.00896) as high-symmetry silicate

REFERENCE: Ch. Baerlocher,This work, (2004).


1 0 0 11.23 7.881 6 100.0 2 1 1 34.60 2.592 24 13.4 3 1 1 44.91 2.018 24 1.41 1 0 19.51 4.550 6 0.17 1 0 2 35.99 2.495 12 2.1 2 1 2 46.03 1.972 24 1.01 0 1 20.29 4.376 12 61.3 3 0 1 38.30 2.350 12 2.5 4 0 0 46.07 1.970 6 2.52 0 0 22.56 3.940 6 28.7 1 1 2 39.57 2.277 12 1.4 3 0 2 49.01 1.859 12 2.22 1 0 30.00 2.979 12 0.37 2 2 0 39.61 2.275 6 0.85 4 0 1 49.39 1.845 12 2.50 0 2 34.08 2.631 2 3.5 2 0 2 41.26 2.188 12 0.593 0 0 34.13 2.627 6 9.6 3 1 0 41.30 2.186 12 0.57

NPO

NPO

,SiO

2Fram

ework

504030201002 theta (°)

70

60

50

40

30

20

10

0

NSI Nu-6(2)



CRYSTAL DATA: P 21/c (No. 14; unique axis b, cell choice 1)a = 13.8482 A b = 4.9881 A c = 17.2569 Aα = 90◦ β = 106.091◦ γ = 90◦

X-ray Rietveld refinement, Rw = 0.049, Rwp = 0.064

REFERENCE: S. Zanardi, A. Alberti, G. Cruciani, A. Corma, V. Fornes and M. Brunelli,Angew. Chem. Int. Ed. 43 4933–4937 (2004).


0 0 2 10.67 8.290 2 76.3 2 1 4 33.66 2.662 4 2.2 0 1 7 42.24 2.140 4 0.43-1 0 2 10.90 8.118 2 1.0 -3 1 5 34.05 2.633 4 6.7 0 2 4 42.29 2.137 4 0.092 0 0 13.31 6.653 2 41.3 3 1 3 34.31 2.614 4 0.68 5 1 2 42.50 2.127 4 0.221 0 2 14.07 6.297 2 0.15 -4 1 4 34.57 2.594 4 0.36 -2 2 4 42.54 2.125 4 1.7

-2 0 2 14.58 6.075 2 17.7 1 1 5 34.66 2.588 4 5.7 -3 2 3 42.57 2.124 4 0.110 1 1 18.58 4.777 4 0.14 1 0 6 34.94 2.568 2 0.19 2 1 6 42.79 2.113 4 0.291 1 0 19.00 4.671 4 0.41 0 2 0 36.01 2.494 2 4.2 3 0 6 43.10 2.099 2 0.13

-1 1 1 19.23 4.614 4 2.5 -4 0 6 36.04 2.492 2 1.1 4 1 4 43.29 2.090 4 0.422 0 2 19.28 4.603 2 37.2 -1 1 6 36.12 2.487 4 7.2 -6 1 1 43.60 2.076 4 0.411 1 1 20.25 4.386 4 7.3 -2 1 6 36.33 2.472 4 0.46 0 0 8 43.67 2.073 2 0.630 1 2 20.78 4.274 4 2.3 0 2 1 36.43 2.466 4 3.4 1 2 4 43.86 2.064 4 0.20

-1 1 2 20.90 4.250 4 100.0 4 1 2 36.52 2.460 4 0.10 -4 1 7 44.23 2.048 4 0.340 0 4 21.44 4.145 2 28.3 1 2 0 36.66 2.451 4 0.31 1 1 7 44.54 2.034 4 0.54

-2 0 4 21.90 4.059 2 10.0 -5 1 2 37.16 2.419 4 6.9 -4 0 8 44.65 2.030 2 0.501 1 2 22.74 3.910 4 0.52 -4 1 5 37.21 2.417 4 0.89 -6 0 6 44.75 2.025 2 0.30

-1 1 3 23.71 3.752 4 23.2 1 2 1 37.35 2.407 4 0.87 -4 2 1 44.84 2.021 4 0.382 1 1 23.78 3.741 4 0.10 -1 2 2 37.73 2.384 4 0.14 -4 2 2 44.92 2.018 4 0.550 1 3 24.03 3.703 4 0.19 -3 1 6 37.82 2.379 4 2.5 6 0 2 45.16 2.008 2 5.21 0 4 24.19 3.679 2 0.82 3 1 4 38.11 2.361 4 0.66 -2 2 5 45.26 2.003 4 1.3

-2 1 3 25.26 3.526 4 0.17 5 1 0 38.34 2.348 4 1.3 5 0 4 45.31 2.001 2 0.13-4 0 2 25.95 3.434 2 12.0 -2 2 1 38.40 2.344 4 3.5 4 2 0 45.45 1.995 4 0.491 1 3 26.15 3.408 4 4.4 2 2 0 38.55 2.335 4 2.7 0 2 5 45.51 1.993 4 2.6

-3 1 1 26.31 3.388 4 0.23 2 0 6 38.59 2.333 2 0.83 5 1 3 45.52 1.993 4 0.572 1 2 26.35 3.383 4 1.7 1 2 2 38.84 2.319 4 0.44 -2 1 8 45.86 1.979 4 0.224 0 0 26.80 3.326 2 35.5 4 0 4 39.14 2.302 2 0.17 -1 1 8 46.15 1.967 4 1.7

-3 1 2 26.82 3.324 4 31.3 -5 1 4 39.20 2.298 4 0.44 1 0 8 46.16 1.967 2 0.183 1 0 26.90 3.314 4 1.5 1 1 6 39.47 2.283 4 0.70 -6 1 5 46.21 1.965 4 0.25

-1 1 4 27.34 3.262 4 5.8 2 2 1 39.49 2.282 4 0.54 2 2 4 46.45 1.955 4 0.49-2 1 4 28.35 3.148 4 0.68 4 1 3 39.64 2.274 4 0.26 -3 1 8 46.62 1.948 4 0.202 0 4 28.35 3.148 2 14.7 0 2 3 39.65 2.273 4 0.67 -3 2 5 46.75 1.943 4 0.19

-3 1 3 28.38 3.144 4 1.0 5 1 1 40.08 2.250 4 0.42 3 2 3 46.94 1.935 4 0.263 1 1 28.54 3.128 4 0.88 -2 2 3 40.44 2.230 4 0.41 -4 2 4 47.15 1.928 4 2.7

-4 0 4 29.40 3.038 2 4.6 -4 1 6 40.46 2.229 4 0.23 1 2 5 47.22 1.925 4 0.172 1 3 29.71 3.007 4 0.34 -6 0 4 40.46 2.229 2 0.30 -5 1 7 47.38 1.918 4 0.751 1 4 30.19 2.961 4 1.6 6 0 0 40.68 2.218 2 0.18 4 1 5 47.39 1.918 4 0.26

-3 1 4 30.85 2.898 4 1.2 -2 1 7 40.94 2.204 4 0.35 0 1 8 47.50 1.914 4 0.40-1 0 6 31.18 2.869 2 0.14 -1 1 7 41.01 2.201 4 0.74 4 0 6 48.30 1.884 2 0.28-2 0 6 31.42 2.847 2 0.46 1 2 3 41.03 2.200 4 0.22 -6 1 6 48.52 1.876 4 0.11-4 1 1 31.52 2.838 4 0.30 2 2 2 41.16 2.193 4 0.23 6 1 2 48.90 1.863 4 0.82-4 1 2 31.63 2.828 4 0.49 -5 1 5 41.33 2.185 4 0.31 -4 2 5 49.22 1.851 4 0.77-2 1 5 32.10 2.789 4 0.34 3 2 0 41.54 2.174 4 0.15 2 0 8 49.56 1.839 2 2.14 1 0 32.35 2.767 4 0.18 -1 2 4 41.84 2.159 4 0.29 -7 1 2 49.63 1.837 4 3.50 0 6 32.40 2.763 2 0.42 -2 0 8 41.91 2.156 2 0.16 -7 1 3 49.68 1.835 4 0.200 1 5 32.42 2.762 4 0.27 -3 1 7 42.04 2.149 4 2.6 -5 2 3 49.69 1.835 4 0.093 0 4 33.43 2.680 2 0.23 -1 0 8 42.23 2.140 2 0.13 -3 2 6 49.71 1.834 4 0.28

NSI

Nu-6(2)

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

OBW OSB-2

CHEMICAL COMPOSITION: |K48(H2O)96| [Be24Si54O152]

REFINED COMPOSITION: |K35.82(H2O)81.5| [Be24.44Si51.56O152]

CRYSTAL DATA: I 4/m mm (No. 139)a = 13.7452 A b = 13.7452 A c = 30.654 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: A. K. Cheetham, H. Fjellag, T. E. Gier, K. O. Kongshaug, K. P. Lillerudand G. D. Stucky, Stud. Surf. Sci. Catal. 135 788–795 (2001);And, K. P. Lillerud, private communication.


0 0 2 5.77 15.327 2 100.0 4 2 2 29.64 3.014 16 5.3 5 2 7 40.92 2.205 16 1.001 0 1 7.05 12.542 8 22.0 2 2 8 29.69 3.009 8 3.2 3 1 12 40.98 2.202 16 0.671 1 0 9.10 9.719 4 41.8 2 1 9 29.99 2.979 16 1.8 2 1 13 40.99 2.202 16 0.171 1 2 10.78 8.208 8 58.8 4 1 5 30.52 2.929 16 9.6 4 4 6 41.14 2.194 8 0.471 0 3 10.79 8.200 8 68.3 1 1 10 30.58 2.923 8 6.4 0 0 14 41.23 2.190 2 0.500 0 4 11.55 7.664 2 8.2 3 2 7 31.10 2.875 16 3.9 4 2 10 41.61 2.170 16 0.272 0 0 12.88 6.873 4 14.1 3 1 8 31.11 2.874 16 1.8 6 2 2 41.99 2.152 16 0.242 0 2 14.12 6.271 8 26.5 4 2 4 31.36 2.853 16 14.2 5 4 1 42.20 2.141 16 1.42 1 1 14.70 6.027 16 10.3 4 0 6 31.37 2.851 8 5.5 5 3 6 42.22 2.140 16 1.51 1 4 14.72 6.018 8 4.5 2 0 10 31.97 2.800 8 0.88 4 3 9 42.25 2.139 16 1.41 0 5 15.83 5.599 8 15.5 4 3 1 32.71 2.738 16 3.3 5 0 9 42.25 2.139 8 1.22 1 3 16.83 5.267 16 8.6 5 0 1 32.71 2.738 8 0.19 4 1 11 42.27 2.138 16 2.72 0 4 17.33 5.117 8 1.4 3 3 6 32.73 2.736 8 1.3 1 1 14 42.31 2.136 8 0.330 0 6 17.36 5.109 2 0.29 3 0 9 32.76 2.733 8 1.4 6 1 5 42.64 2.120 16 0.552 2 0 18.26 4.860 4 0.87 5 1 0 33.23 2.696 8 1.9 6 2 4 43.27 2.091 16 0.333 0 1 19.59 4.531 8 4.1 5 1 2 33.76 2.655 16 0.86 6 0 6 43.28 2.090 8 0.351 1 6 19.63 4.522 8 0.21 4 3 3 33.76 2.655 16 0.19 4 4 8 44.13 2.052 8 0.183 1 0 20.43 4.347 8 1.3 4 1 7 33.79 2.653 16 2.8 6 3 1 44.30 2.044 16 0.362 1 5 20.46 4.341 16 0.31 4 2 6 34.04 2.634 16 1.8 6 3 3 45.13 2.009 16 1.43 1 2 21.25 4.182 16 0.94 2 2 10 34.60 2.593 8 8.3 6 1 7 45.15 2.008 16 1.21 0 7 21.29 4.173 8 1.3 0 0 12 35.13 2.555 2 1.5 5 3 8 45.16 2.008 16 1.62 2 4 21.65 4.104 8 5.7 5 2 1 35.28 2.544 16 8.5 3 3 12 45.20 2.006 8 0.752 0 6 21.67 4.100 8 17.9 5 1 4 35.29 2.543 16 0.95 6 2 6 45.35 2.000 16 0.210 0 8 23.21 3.832 2 11.1 3 2 9 35.34 2.540 16 0.67 6 0 8 46.17 1.966 8 0.663 2 1 23.52 3.783 16 5.0 5 0 5 35.80 2.508 8 5.8 4 2 12 46.21 1.965 16 0.793 1 4 23.53 3.781 16 11.8 4 3 5 35.80 2.508 16 1.4 5 0 11 46.40 1.957 8 1.33 0 5 24.25 3.670 8 23.7 3 1 10 35.85 2.505 16 0.15 5 5 0 46.73 1.944 4 1.23 2 3 24.93 3.572 16 13.8 5 2 3 36.28 2.476 16 7.3 5 5 2 47.13 1.928 8 0.322 1 7 24.97 3.567 16 18.8 1 1 12 36.36 2.471 8 1.7 7 1 2 47.13 1.928 16 0.831 1 8 24.98 3.565 8 5.3 4 4 0 37.00 2.430 4 0.87 7 0 3 47.13 1.928 8 0.482 2 6 25.29 3.521 8 3.0 4 4 2 37.47 2.400 8 5.3 5 4 7 47.15 1.928 16 0.304 0 0 25.93 3.436 4 4.3 4 2 8 37.51 2.398 16 7.4 4 1 13 47.21 1.925 16 0.384 0 2 26.58 3.353 8 8.9 2 0 12 37.56 2.394 8 2.5 6 4 0 47.71 1.906 8 0.662 0 8 26.63 3.347 8 3.0 5 1 6 37.73 2.384 16 0.22 4 4 10 47.76 1.904 8 0.354 1 1 26.90 3.314 16 24.6 4 1 9 37.76 2.382 16 7.2 7 2 1 48.29 1.884 16 0.163 1 6 26.93 3.311 16 5.1 5 3 0 38.18 2.357 8 0.93 1 1 16 48.42 1.880 8 0.861 0 9 26.97 3.306 8 4.4 5 2 5 38.19 2.356 16 4.4 7 0 5 48.69 1.870 8 0.183 3 0 27.53 3.240 4 1.3 4 3 7 38.67 2.328 16 1.1 5 3 10 48.73 1.869 16 1.13 2 5 27.55 3.237 16 0.89 1 0 13 38.74 2.324 8 0.68 3 0 15 48.79 1.866 8 1.03 3 2 28.15 3.170 8 0.67 4 4 4 38.88 2.316 8 2.2 6 3 7 49.09 1.856 16 0.344 1 3 28.16 3.169 16 25.0 6 0 0 39.33 2.291 4 1.1 5 1 12 49.13 1.854 16 0.993 0 7 28.19 3.166 8 4.1 4 0 10 39.39 2.287 8 1.7 6 4 4 49.26 1.850 16 0.294 0 4 28.47 3.136 8 0.23 2 2 12 39.87 2.261 8 1.8 4 0 14 49.35 1.847 8 0.664 2 0 29.05 3.074 8 2.0 6 1 1 40.01 2.254 16 0.78 2 0 16 49.38 1.846 8 0.530 0 10 29.13 3.065 2 0.68 6 1 3 40.90 2.206 16 0.13 6 0 10 49.68 1.835 8 0.47

OBW

OSB-2

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

OFF Offretite

CHEMICAL COMPOSITION: |Na0.1K1.09Mg1.11Ca1.07Sr0.01Ba0.01(H2O)17.63| [Al5.52Si12.49O36]Poia Creek, Adamello, Italy

REFINED COMPOSITION: |KMgCa1.32O16.04| [Si12.6Al5.4O36]

CRYSTAL DATA: P6m2 (No. 187)a = 13.331 A b = 13.331 A c = 7.593 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: A. Alberti, G. Cruciani, E. Galli and G. Vezzalini,Zeolites 17 457–461 (1996).


1 0 0 7.66 11.545 6 100.0 3 0 2 33.15 2.703 12 1.6 4 1 2 43.09 2.099 24 1.10 0 1 11.65 7.593 2 14.2 4 0 1 33.21 2.698 12 9.9 4 2 1 43.14 2.097 24 3.81 1 0 13.28 6.665 6 12.0 3 2 0 33.84 2.649 12 1.7 5 1 0 43.65 2.074 12 0.401 0 1 13.96 6.344 12 10.3 0 0 3 35.47 2.531 2 1.5 2 2 3 44.97 2.016 12 0.152 0 0 15.35 5.772 6 21.3 4 1 0 35.64 2.519 12 17.6 5 1 1 45.34 2.000 24 4.42 0 1 19.31 4.595 12 25.3 2 2 2 35.85 2.505 12 0.56 3 1 3 45.69 1.986 24 1.12 1 0 20.35 4.364 12 35.8 3 2 1 35.91 2.501 24 5.6 5 0 2 46.00 1.973 12 3.43 0 0 23.11 3.848 6 22.1 1 0 3 36.34 2.472 12 0.46 6 0 0 47.24 1.924 6 0.070 0 2 23.43 3.796 2 3.3 3 1 2 36.72 2.448 24 1.3 3 3 2 47.41 1.918 12 0.422 1 1 23.51 3.783 24 65.2 4 1 1 37.62 2.391 24 0.13 4 0 3 47.80 1.903 12 3.41 0 2 24.68 3.607 12 41.8 2 0 3 38.85 2.318 12 1.7 0 0 4 47.92 1.898 2 8.73 0 1 25.96 3.433 12 3.8 5 0 0 39.01 2.309 6 1.4 4 3 0 47.93 1.898 12 0.092 2 0 26.75 3.333 6 8.7 4 0 2 39.21 2.298 12 0.23 4 2 2 48.10 1.892 24 0.291 1 2 27.03 3.299 12 2.2 3 3 0 40.60 2.222 6 8.7 1 0 4 48.61 1.873 12 2.83 1 0 27.86 3.202 12 4.1 5 0 1 40.85 2.209 12 1.1 6 0 1 48.83 1.865 12 0.312 0 2 28.13 3.172 12 9.0 2 1 3 41.23 2.189 24 1.1 5 2 0 49.29 1.849 12 1.32 2 1 29.26 3.052 12 0.75 4 2 0 41.38 2.182 12 0.87 4 3 1 49.50 1.841 24 0.653 1 1 30.29 2.950 24 8.8 3 2 2 41.57 2.172 24 0.14 3 2 3 49.83 1.830 24 0.074 0 0 30.98 2.886 6 28.8 3 3 1 42.39 2.132 12 3.8 1 1 4 49.95 1.826 12 0.032 1 2 31.23 2.864 24 53.9 3 0 3 42.76 2.115 12 5.4

OFF

Offretite

504030201002 theta (°)

70

60

50

40

30

20

10

0

OSI UiO-6, Calcined



CRYSTAL DATA: Imm2 (No. 44)a = 18.3549 A b = 18.3206 A c = 5.0530 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: D. E. Akporiaye, H. Fjellvag, E. N. Halvorsen, T. Haug, A. Karlsson,and K. P Lillerud, J. Chem. Soc., Chem. Commun. 1553–1554 (1996).


1 1 0 6.82 12.967 4 100.0 5 5 0 34.59 2.593 4 0.33 5 7 0 42.41 2.131 4 0.082 0 0 9.64 9.177 2 16.9 1 7 0 34.62 2.591 4 1.1 6 5 1 42.45 2.130 8 0.150 2 0 9.66 9.160 2 30.5 6 1 1 34.62 2.591 8 0.56 5 6 1 42.46 2.129 8 0.732 2 0 13.66 6.483 4 1.2 1 6 1 34.67 2.587 8 0.12 8 1 1 43.60 2.076 8 0.213 1 0 15.27 5.803 4 1.6 6 4 0 35.28 2.544 4 0.43 7 4 1 43.62 2.075 8 0.101 3 0 15.29 5.795 4 2.4 4 6 0 35.31 2.542 4 0.56 4 7 1 43.66 2.073 8 1.31 0 1 18.21 4.872 4 1.1 0 0 2 35.53 2.526 2 8.3 1 8 1 43.67 2.073 8 0.200 1 1 18.21 4.871 4 0.15 5 4 1 36.04 2.492 8 3.1 5 1 2 43.78 2.068 8 0.084 0 0 19.34 4.589 2 3.3 4 5 1 36.05 2.491 8 4.2 1 5 2 43.80 2.067 8 0.200 4 0 19.38 4.580 2 5.9 1 1 2 36.22 2.480 8 1.1 4 8 0 44.20 2.049 4 0.643 3 0 20.55 4.322 4 43.0 2 0 2 36.90 2.436 4 0.14 9 1 0 44.71 2.027 4 0.092 1 1 20.64 4.303 8 32.1 0 2 2 36.91 2.436 4 0.54 1 9 0 44.79 2.023 4 0.261 2 1 20.65 4.301 8 27.6 7 3 0 37.32 2.409 4 2.4 4 4 2 45.52 1.993 8 0.964 2 0 21.66 4.103 4 0.05 3 7 0 37.37 2.406 4 1.5 8 3 1 45.91 1.977 8 0.182 4 0 21.68 4.098 4 2.2 6 3 1 37.39 2.405 8 0.19 3 8 1 45.97 1.974 8 0.393 0 1 22.82 3.896 4 5.9 3 6 1 37.42 2.403 8 0.41 5 3 2 46.07 1.970 8 0.470 3 1 22.84 3.893 4 0.31 2 2 2 38.23 2.354 8 0.21 3 5 2 46.09 1.969 8 0.821 5 0 24.78 3.593 4 0.71 7 0 1 38.69 2.327 4 0.91 6 0 2 46.62 1.948 4 0.443 2 1 24.83 3.585 8 2.3 0 7 1 38.75 2.324 4 0.61 0 6 2 46.66 1.947 4 0.432 3 1 24.84 3.584 8 2.3 3 1 2 38.88 2.316 8 0.18 9 3 0 46.97 1.934 4 0.044 1 1 26.69 3.340 8 7.0 1 3 2 38.89 2.316 8 0.02 3 9 0 47.05 1.932 4 0.201 4 1 26.71 3.337 8 13.0 8 0 0 39.27 2.294 2 0.10 6 2 2 47.73 1.905 8 1.24 4 0 27.51 3.242 4 7.4 0 8 0 39.34 2.290 2 0.03 2 6 2 47.76 1.904 8 0.656 0 0 29.19 3.059 2 1.8 7 2 1 39.97 2.256 8 0.83 9 0 1 48.11 1.891 4 1.20 6 0 29.25 3.053 2 1.6 2 7 1 40.02 2.253 8 0.14 0 9 1 48.19 1.888 4 1.15 0 1 30.09 2.970 4 0.54 8 2 0 40.53 2.226 4 0.24 7 7 0 49.19 1.852 4 0.484 3 1 30.10 2.969 8 0.94 2 8 0 40.60 2.222 4 0.52 9 2 1 49.19 1.852 8 0.603 4 1 30.11 2.968 8 0.97 4 0 2 40.77 2.213 4 0.69 7 6 1 49.22 1.851 8 1.20 5 1 30.13 2.966 4 0.49 0 4 2 40.79 2.212 4 0.55 6 7 1 49.24 1.851 8 0.546 2 0 30.81 2.902 4 5.0 3 3 2 41.39 2.181 8 0.52 2 9 1 49.27 1.849 8 0.242 6 0 30.86 2.897 4 3.7 6 6 0 41.80 2.161 4 0.37 10 0 0 49.67 1.835 2 0.115 2 1 31.67 2.825 8 1.6 4 2 2 42.00 2.151 8 0.19 8 6 0 49.70 1.834 4 0.022 5 1 31.70 2.823 8 0.64 2 4 2 42.01 2.151 8 0.05 6 8 0 49.73 1.833 4 0.197 1 0 34.55 2.596 4 0.92 7 5 0 42.39 2.132 4 0.21 0 10 0 49.77 1.832 2 0.85

OSI

UiO

-6,Calcined

504030201002 theta (°)

70

60

50

40

30

20

10

0

OSO OSB-1

CHEMICAL COMPOSITION: |K6(H2O)9| [Be3Si6O18]

REFINED COMPOSITION: |K5.37(H2O)9| [Be3.51Si5.52O18]



REFERENCE: K. O. Kongshaug, H. Fjellvag, K. P. Lillerud, T. E. Gier, G. D. Stuckyand A. K. Cheetham, Private communication (2000).


0 1 0 10.12 8.741 6 100.0 3 -2 2 35.97 2.497 6 7.0 1 3 2 44.27 2.046 6 4.61 0 1 15.42 5.746 6 15.5 2 1 2 35.97 2.497 6 5.7 4 -1 2 44.27 2.046 6 4.80 1 1 15.42 5.746 6 13.9 1 2 2 35.97 2.497 6 7.7 3 1 2 44.27 2.046 6 5.81 1 0 17.57 5.046 6 24.9 3 -1 2 35.97 2.497 6 8.2 3 -1 3 44.99 2.015 6 1.30 2 0 20.32 4.370 6 20.1 0 1 3 36.82 2.441 6 0.10 1 2 3 44.99 2.015 6 0.812 -1 1 21.11 4.208 6 1.1 1 0 3 36.82 2.441 6 0.18 2 1 3 44.99 2.015 6 1.21 1 1 21.11 4.208 6 0.44 3 1 0 37.08 2.424 6 6.2 3 -2 3 44.99 2.015 6 0.922 0 1 23.46 3.792 6 4.0 1 3 0 37.08 2.424 6 8.2 2 3 0 45.22 2.005 6 0.190 2 1 23.46 3.792 6 3.3 2 2 1 37.55 2.395 6 0.72 3 2 0 45.22 2.005 6 0.120 1 2 25.48 3.495 6 0.96 4 -2 1 37.55 2.395 6 0.39 2 3 1 46.85 1.939 6 0.261 0 2 25.48 3.495 6 0.77 0 3 2 38.90 2.315 6 0.24 3 2 1 46.85 1.939 6 0.131 2 0 26.99 3.304 6 13.0 3 0 2 38.90 2.315 6 0.21 5 -3 1 46.85 1.939 6 0.162 1 0 26.99 3.304 6 12.8 4 -3 1 38.98 2.310 6 4.5 5 -2 1 46.85 1.939 6 0.232 -1 2 29.36 3.042 6 43.7 4 -1 1 38.98 2.310 6 2.7 0 3 3 47.46 1.915 6 0.281 1 2 29.36 3.042 6 50.3 3 1 1 38.98 2.310 6 5.2 3 0 3 47.46 1.915 6 0.323 -2 1 29.46 3.031 6 2.2 1 3 1 38.98 2.310 6 3.3 4 1 0 47.68 1.907 6 1.01 2 1 29.46 3.031 6 2.2 1 1 3 39.70 2.270 6 0.06 1 4 0 47.68 1.907 6 0.982 1 1 29.46 3.031 6 2.7 2 -1 3 39.70 2.270 6 0.34 4 0 2 47.98 1.896 6 0.223 -1 1 29.46 3.031 6 2.1 2 0 3 41.08 2.197 6 1.9 0 4 2 47.98 1.896 6 0.140 3 0 30.69 2.914 6 0.41 0 2 3 41.08 2.197 6 1.6 0 1 4 48.89 1.863 6 0.130 2 2 31.13 2.873 6 5.8 0 4 0 41.32 2.185 6 0.06 1 0 4 48.89 1.863 6 0.182 0 2 31.13 2.873 6 8.5 4 -2 2 42.98 2.104 6 0.16 1 4 1 49.24 1.850 6 0.043 0 1 32.91 2.722 6 4.7 2 2 2 42.98 2.104 6 0.15 4 1 1 49.24 1.850 6 0.280 3 1 32.91 2.722 6 8.0 4 0 1 43.06 2.101 6 2.1 5 -4 1 49.24 1.850 6 0.230 0 3 35.31 2.542 2 6.3 0 4 1 43.06 2.101 6 1.8 5 -1 1 49.24 1.850 6 0.182 2 0 35.58 2.523 6 19.3 4 -3 2 44.27 2.046 6 6.2

OSO

OSB-1

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

OWE UiO-28

CHEMICAL COMPOSITION: |(C4N3H14)4| [Mg4Al12P16O64] ; C4N3H14 ≡ diethylenetriamine

REFINED COMPOSITION: |(C4N3)4| [Mg4.24Al11.76P16O64]

CRYSTAL DATA: Pbcm (No. 57)a = 9.2187 A b = 14.8652 A c = 14.5811 Aα = 90◦ β = 90◦ γ = 90◦

X-ray Rietveld refinement, Rwp = 0.0624, RF2 = 0.0790 at 175 ◦C

REFERENCE: K. O. Kongshaug, H. Fjellvag and K. P. Lillerud,J. Mater. Chem. 11 1242–1247 (2001).


1 0 0 9.59 9.219 2 100.0 3 1 1 30.33 2.947 8 0.19 2 6 0 41.37 2.182 4 3.01 1 0 11.29 7.834 4 20.8 2 4 0 30.91 2.893 4 1.3 2 6 1 41.86 2.158 8 0.540 2 0 11.91 7.433 2 2.4 3 2 0 31.50 2.840 4 5.3 2 0 6 42.03 2.150 4 1.00 0 2 12.14 7.291 2 24.7 2 4 1 31.53 2.838 8 0.84 3 5 0 42.30 2.137 4 0.111 1 1 12.83 6.901 8 0.20 3 0 2 31.60 2.832 4 2.5 3 4 3 42.46 2.129 8 0.070 2 1 13.37 6.622 4 0.34 1 5 0 31.62 2.830 4 0.11 2 1 6 42.49 2.128 8 0.291 2 0 15.31 5.786 4 18.4 1 4 3 31.83 2.812 8 0.50 3 3 4 42.59 2.123 8 0.561 0 2 15.50 5.718 4 5.0 2 1 4 31.87 2.808 8 13.1 4 2 2 42.92 2.107 8 0.271 2 1 16.48 5.378 8 0.63 1 3 4 31.99 2.798 8 4.3 2 6 2 43.28 2.091 8 0.321 1 2 16.61 5.337 8 8.1 3 2 1 32.11 2.787 8 0.09 4 3 0 43.30 2.090 4 0.270 2 2 17.04 5.205 4 14.9 3 1 2 32.18 2.782 8 1.1 1 7 0 43.74 2.069 4 0.142 0 0 19.26 4.609 2 21.6 1 1 5 32.77 2.733 8 0.21 2 2 6 43.84 2.065 8 0.131 2 2 19.59 4.532 8 29.2 2 4 2 33.32 2.689 8 2.9 2 5 4 43.93 2.061 8 2.02 1 0 20.17 4.403 4 14.0 2 2 4 33.58 2.669 8 1.6 3 5 2 44.17 2.050 8 0.871 3 0 20.35 4.365 4 9.5 3 2 2 33.88 2.646 8 4.3 1 7 1 44.20 2.049 8 0.172 1 1 21.08 4.215 8 2.0 1 5 2 33.99 2.638 8 7.4 0 4 6 44.55 2.034 4 1.01 3 1 21.25 4.181 8 4.7 3 3 0 34.34 2.611 4 0.08 1 1 7 45.03 2.013 8 0.221 1 3 21.52 4.130 8 4.9 1 2 5 34.44 2.604 8 0.15 0 2 7 45.21 2.006 4 0.160 2 3 21.85 4.068 4 5.0 0 4 4 34.46 2.602 4 2.6 1 6 4 45.34 2.000 8 0.792 2 0 22.70 3.917 4 3.7 1 4 4 35.85 2.504 8 0.06 1 7 2 45.57 1.991 8 0.932 0 2 22.82 3.896 4 0.38 2 5 0 35.94 2.498 4 3.8 1 4 6 45.68 1.986 8 0.342 2 1 23.52 3.783 8 0.06 2 3 4 36.27 2.476 8 0.19 3 4 4 45.68 1.986 8 0.122 1 2 23.61 3.769 8 54.7 3 3 2 36.55 2.459 8 2.1 2 3 6 46.02 1.972 8 0.181 3 2 23.76 3.745 8 1.3 1 5 3 36.75 2.445 8 0.25 4 4 0 46.36 1.959 4 1.01 2 3 23.91 3.722 8 0.52 0 6 1 36.80 2.443 4 0.08 3 5 3 46.42 1.956 8 0.350 4 0 23.94 3.716 2 20.6 0 0 6 36.99 2.430 2 1.00 4 0 4 46.62 1.948 4 0.610 0 4 24.42 3.645 2 1.1 1 3 5 37.08 2.425 8 0.50 4 4 1 46.80 1.941 8 0.140 4 1 24.72 3.601 4 0.89 1 6 0 37.59 2.393 4 0.43 4 1 4 47.05 1.931 8 1.92 2 2 25.82 3.451 8 1.5 3 4 0 37.99 2.368 4 1.7 2 7 0 47.12 1.929 4 0.991 4 0 25.85 3.447 4 37.3 2 5 2 38.07 2.363 8 0.86 3 6 0 47.12 1.929 4 0.241 0 4 26.29 3.390 4 8.3 1 6 1 38.11 2.361 8 0.15 3 0 6 47.71 1.906 4 1.21 4 1 26.57 3.354 8 2.7 3 0 4 38.31 2.349 4 0.54 1 7 3 47.77 1.904 8 0.210 4 2 26.93 3.311 4 3.6 0 6 2 38.37 2.346 4 1.5 2 5 5 47.95 1.897 8 0.081 1 4 26.98 3.305 8 60.1 3 4 1 38.51 2.338 8 0.15 4 4 2 48.10 1.892 8 0.342 3 1 27.12 3.288 8 0.49 1 1 6 38.80 2.321 8 0.12 0 6 5 48.19 1.888 4 0.130 2 4 27.25 3.273 4 6.5 4 0 0 39.08 2.305 2 0.23 1 3 7 48.42 1.880 8 0.092 1 3 27.33 3.263 8 0.10 4 1 0 39.57 2.277 4 0.71 2 7 2 48.84 1.865 8 0.061 3 3 27.47 3.247 8 0.28 1 6 2 39.64 2.273 8 0.06 2 4 6 48.95 1.861 8 0.071 4 2 28.65 3.116 8 4.6 3 4 2 40.03 2.252 8 0.50 0 8 0 49.02 1.858 2 0.871 2 4 28.95 3.084 8 0.53 1 2 6 40.25 2.241 8 1.8 3 2 6 49.36 1.846 8 1.23 0 0 29.06 3.073 2 1.5 1 5 4 40.35 2.235 8 1.0 1 5 6 49.44 1.844 8 0.052 3 2 29.16 3.063 8 5.7 1 4 5 40.52 2.226 8 0.06 3 5 4 49.44 1.843 8 3.62 2 3 29.28 3.050 8 1.9 2 5 3 40.60 2.222 8 0.94 0 8 1 49.45 1.843 4 0.473 1 0 29.69 3.009 4 2.6 4 2 0 41.00 2.201 4 1.4 3 4 5 49.59 1.838 8 0.160 4 3 30.27 2.952 4 0.19 4 0 2 41.07 2.197 4 1.1 5 1 0 49.84 1.830 4 0.73

OW

EU

iO-28

504030201002 theta (°)

70

60

50

40

30

20

10

0

-PAR Partheite

CHEMICAL COMPOSITION: |Ca8(H2O)16| [Si16Al16O60(OH)8]Taurus Mountains, Turkey

REFINED COMPOSITION: |Ca8(H2O)16| [Si16Al16O60(OH)8]



REFERENCE: N. Engel and K. Yvon,Z. Kristallogr. 169 165–175 (1984).


2 0 0 8.21 10.774 2 100.0 -3 1 3 32.79 2.731 4 0.31 -2 4 1 43.21 2.094 4 6.81 1 0 10.90 8.116 4 57.5 4 2 2 32.91 2.722 4 0.12 -6 2 3 43.28 2.090 4 1.8

-1 1 1 14.41 6.146 4 9.9 3 3 0 33.11 2.705 4 21.6 -9 1 2 43.28 2.090 4 0.091 1 1 14.56 6.084 4 40.3 3 1 3 33.39 2.683 4 1.9 2 4 1 43.31 2.089 4 0.833 1 0 15.96 5.554 4 1.2 -6 2 1 33.48 2.676 4 11.8 -8 2 2 43.58 2.077 4 0.684 0 0 16.46 5.387 2 6.4 6 2 1 33.88 2.646 4 0.70 -7 3 1 43.64 2.074 4 1.0

-3 1 1 18.43 4.813 4 0.05 -3 3 1 34.43 2.605 4 0.55 7 3 1 44.01 2.057 4 0.823 1 1 18.78 4.725 4 0.97 3 3 1 34.62 2.591 4 3.7 0 2 4 44.09 2.054 4 0.860 0 2 19.08 4.650 2 5.3 -7 1 2 36.04 2.492 4 2.8 6 2 3 44.24 2.047 4 2.90 2 0 20.27 4.380 2 9.1 -2 2 3 36.29 2.476 4 2.0 9 1 2 44.24 2.047 4 4.3

-2 0 2 20.60 4.312 2 10.3 -1 3 2 36.51 2.461 4 0.06 8 2 2 44.43 2.039 4 0.152 0 2 21.01 4.228 2 2.0 1 3 2 36.63 2.453 4 3.0 4 4 0 44.66 2.029 4 0.082 2 0 21.90 4.058 4 9.4 2 2 3 36.66 2.451 4 1.8 3 3 3 44.68 2.028 4 0.07

-1 1 2 21.93 4.053 4 1.6 -5 1 3 36.71 2.448 4 4.8 -2 2 4 44.72 2.026 4 1.21 1 2 22.13 4.017 4 6.5 5 3 0 37.19 2.418 4 4.0 -5 1 4 45.00 2.014 4 0.750 2 1 22.43 3.963 4 3.4 -6 2 2 37.37 2.407 4 0.76 2 2 4 45.14 2.009 4 3.05 1 0 23.00 3.867 4 10.2 5 1 3 37.62 2.391 4 0.52 -4 4 1 45.67 1.987 4 2.2

-2 2 1 23.83 3.733 4 43.2 6 2 2 38.09 2.363 4 0.29 0 4 2 45.79 1.981 4 0.472 2 1 24.02 3.705 4 2.7 -8 0 2 38.16 2.359 2 1.0 4 4 1 45.87 1.978 4 0.15

-3 1 2 24.71 3.603 4 0.17 -3 3 2 38.32 2.349 4 0.94 -6 0 4 45.92 1.976 2 1.2-5 1 1 24.72 3.602 4 27.6 5 3 1 38.62 2.331 4 2.2 -10 0 2 45.94 1.976 2 1.86 0 0 24.79 3.591 2 15.5 3 3 2 38.67 2.328 4 2.5 5 1 4 46.03 1.972 4 9.2

-4 0 2 24.95 3.568 2 0.14 0 0 4 38.73 2.325 2 5.7 -2 4 2 46.50 1.953 4 3.05 1 1 25.15 3.540 4 0.92 -4 2 3 38.99 2.310 4 0.68 2 4 2 46.71 1.945 4 1.73 1 2 25.23 3.529 4 21.1 9 1 0 39.00 2.309 4 0.35 -7 3 2 46.79 1.942 4 3.74 0 2 25.64 3.474 2 0.58 8 0 2 39.10 2.304 2 0.98 10 0 2 46.95 1.935 2 2.84 2 0 26.22 3.399 4 13.9 8 2 0 39.27 2.294 4 0.39 -4 2 4 46.97 1.934 4 2.1

-4 2 1 27.79 3.210 4 0.65 2 0 4 39.88 2.260 2 3.5 10 2 0 47.00 1.933 4 0.850 2 2 27.98 3.189 4 35.1 -9 1 1 39.98 2.255 4 1.6 -5 3 3 47.33 1.921 4 2.14 2 1 28.11 3.175 4 0.06 -1 1 4 40.24 2.241 4 0.08 7 3 2 47.49 1.915 4 3.62 2 2 29.36 3.042 4 32.1 -8 2 1 40.27 2.240 4 2.7 4 2 4 47.77 1.904 4 2.4

-5 1 2 29.69 3.009 4 2.6 1 1 4 40.46 2.229 4 0.15 -10 2 1 47.82 1.902 4 0.205 1 2 30.42 2.938 4 35.8 9 1 1 40.49 2.228 4 13.4 5 3 3 48.08 1.893 4 1.8

-1 1 3 30.77 2.906 4 59.2 8 2 1 40.72 2.216 4 0.13 10 2 1 48.31 1.884 4 5.77 1 0 30.79 2.904 4 0.40 0 4 0 41.22 2.190 2 4.2 -11 1 1 48.35 1.882 4 1.21 3 0 30.90 2.894 4 0.93 -3 1 4 41.80 2.161 4 0.45 -9 1 3 48.54 1.876 4 0.191 1 3 30.98 2.886 4 1.1 -5 3 2 41.85 2.158 4 6.5 6 4 0 48.69 1.870 4 0.23

-6 0 2 31.05 2.880 2 11.1 -4 0 4 41.90 2.156 2 0.70 -4 4 2 48.79 1.867 4 2.36 0 2 31.89 2.806 2 6.9 10 0 0 41.93 2.155 2 4.0 -8 2 3 48.83 1.865 4 0.29

-7 1 1 32.05 2.792 4 32.9 -7 1 3 42.09 2.147 4 2.4 4 4 2 49.18 1.853 4 0.266 2 0 32.23 2.777 4 12.1 5 3 2 42.40 2.132 4 5.9 9 3 0 49.21 1.851 4 1.9

-4 2 2 32.36 2.767 4 13.7 3 1 4 42.46 2.129 4 0.39 -6 4 1 49.59 1.838 4 1.4-1 3 1 32.37 2.766 4 0.68 -1 3 3 42.66 2.119 4 1.7 -7 1 4 49.59 1.838 4 0.451 3 1 32.43 2.760 4 6.6 7 3 0 42.68 2.119 4 7.0 9 1 3 49.85 1.829 4 0.267 1 1 32.53 2.752 4 8.8 4 0 4 42.77 2.114 2 1.2 6 4 1 49.88 1.828 4 0.84

-PAR

Partheite

504030201002 theta (°)

70

60

50

40

30

20

10

0

PAU Paulingite

CHEMICAL COMPOSITION: |Na13K68Ca36Ba1.5(H2O)705| [Si520Al152O1344]Rock Island Dam, Washington, U.S.A.

REFINED COMPOSITION: |Na9.68K50.51Ca26.75Ba1.06(H2O)452| [Si520.12Al151.88O1344]



REFERENCE: E. K. Gordon, S. Samson and W. B. Kamb,Science 154 1004–1007 (1966).


1 1 0 3.56 24.814 12 42.1 9 4 1 25.12 3.545 48 0.68 10 10 0 36.20 2.481 12 3.12 0 0 5.04 17.546 6 63.6 10 2 0 25.89 3.441 24 2.1 14 2 0 36.20 2.481 24 0.842 1 1 6.17 14.327 24 4.4 10 2 2 26.39 3.377 24 4.5 14 3 1 36.76 2.445 48 1.22 2 0 7.12 12.407 12 13.7 6 6 6 26.39 3.377 8 0.93 11 9 2 36.76 2.445 48 2.33 1 0 7.97 11.097 24 24.7 10 3 1 26.64 3.346 48 39.2 10 9 5 36.76 2.445 48 3.82 2 2 8.73 10.130 8 0.64 10 4 0 27.37 3.258 24 45.2 14 5 1 38.21 2.355 48 1.73 2 1 9.43 9.379 48 12.3 9 6 1 27.61 3.231 48 2.6 15 1 0 38.57 2.334 24 0.534 0 0 10.08 8.773 6 2.5 11 1 0 28.08 3.177 24 0.51 14 5 3 38.92 2.314 48 2.44 1 1 10.70 8.271 24 3.3 9 5 4 28.08 3.177 48 7.5 14 6 0 39.10 2.304 24 1.73 3 0 10.70 8.271 12 100.0 10 5 1 28.55 3.126 48 17.2 13 7 4 39.27 2.294 48 0.724 2 0 11.28 7.847 24 3.3 11 2 1 28.55 3.126 48 12.8 10 10 6 39.45 2.284 24 1.13 3 2 11.83 7.482 24 7.6 9 6 3 28.55 3.126 48 3.1 14 6 2 39.45 2.284 48 2.14 2 2 12.36 7.163 24 11.1 8 8 0 28.78 3.102 12 1.3 11 11 0 39.96 2.256 12 3.05 1 0 12.86 6.882 24 2.8 11 3 0 29.01 3.078 24 64.1 12 8 6 40.14 2.247 48 0.514 3 1 12.86 6.882 48 83.2 9 7 0 29.01 3.078 24 1.7 14 7 1 40.31 2.237 48 2.84 4 0 14.28 6.204 12 13.7 10 5 3 29.46 3.032 48 1.4 16 0 0 41.16 2.193 6 0.736 0 0 15.15 5.849 6 21.8 8 6 6 29.69 3.009 24 0.97 16 1 1 41.32 2.185 24 0.625 3 2 15.57 5.693 48 26.2 11 4 1 29.91 2.987 48 28.1 14 6 6 42.15 2.144 24 0.846 1 1 15.57 5.693 24 2.3 10 6 2 30.13 2.966 48 13.0 11 10 7 42.32 2.136 48 0.525 4 1 16.37 5.415 48 9.6 9 6 5 30.35 2.945 48 0.84 11 11 6 42.97 2.105 24 2.16 2 2 16.76 5.290 24 4.1 11 5 0 30.79 2.904 24 1.4 12 12 0 43.78 2.068 12 1.16 3 1 17.14 5.174 48 4.0 9 7 4 30.79 2.904 48 1.6 12 11 5 43.94 2.061 48 1.97 1 0 17.87 4.963 24 23.7 11 5 2 31.21 2.865 48 3.6 17 1 0 43.94 2.061 24 0.846 3 3 18.58 4.776 24 44.4 10 6 4 31.43 2.846 48 3.9 13 11 0 43.94 2.061 24 0.636 4 2 18.92 4.689 48 10.2 12 3 1 31.64 2.828 48 2.1 17 2 1 44.25 2.047 48 2.47 3 0 19.26 4.608 24 1.9 9 8 3 31.64 2.828 48 1.5 14 7 7 44.25 2.047 24 5.06 5 1 19.92 4.457 48 1.9 10 7 3 32.06 2.792 48 4.8 13 11 2 44.25 2.047 48 0.598 0 0 20.24 4.387 6 14.0 12 4 0 32.27 2.774 24 0.94 17 3 0 44.57 2.033 24 1.08 1 1 20.56 4.320 24 0.52 12 4 2 32.68 2.740 48 2.7 12 12 4 45.04 2.013 24 1.65 5 4 20.56 4.320 24 2.0 11 6 3 32.88 2.724 48 20.5 11 11 8 45.20 2.006 24 1.46 4 4 20.87 4.256 24 5.8 10 8 2 33.09 2.707 48 1.7 13 11 4 45.20 2.006 48 4.78 2 0 20.87 4.256 24 4.4 13 2 1 33.69 2.660 48 0.66 14 10 4 45.66 1.987 48 1.36 5 3 21.18 4.194 48 1.3 12 4 4 33.89 2.645 24 0.86 14 11 1 46.12 1.968 48 0.778 2 2 21.49 4.136 24 0.95 9 9 4 34.08 2.630 24 6.7 13 12 3 46.43 1.956 48 1.37 5 0 21.79 4.079 24 0.92 12 5 3 34.08 2.630 48 3.3 18 0 0 46.58 1.950 6 0.597 4 3 21.79 4.079 48 10.6 10 8 4 34.28 2.616 48 29.7 14 11 3 46.74 1.944 48 2.38 4 0 22.66 3.924 24 0.94 10 9 1 34.48 2.601 48 2.1 18 2 0 46.89 1.938 24 1.39 1 0 22.95 3.875 24 2.7 12 6 2 34.67 2.587 48 0.72 17 6 3 47.34 1.920 48 0.818 3 3 22.95 3.875 24 10.2 11 7 4 34.87 2.573 48 5.4 15 10 3 47.34 1.920 48 0.746 5 5 23.51 3.784 24 1.2 10 9 3 35.25 2.546 48 1.2 13 13 0 47.64 1.909 12 0.789 3 0 24.06 3.699 24 5.7 11 8 3 35.63 2.520 48 7.0 12 11 9 48.24 1.887 48 0.577 5 4 24.06 3.699 48 1.1 13 4 3 35.63 2.520 48 4.1 17 7 4 48.83 1.865 48 0.579 3 2 24.59 3.620 48 9.6 12 6 4 35.82 2.507 48 1.3 19 1 0 49.41 1.844 24 1.58 4 4 24.86 3.582 24 24.4 14 0 0 35.82 2.507 6 2.2 19 3 0 49.99 1.824 24 0.788 5 3 25.12 3.545 48 1.5 14 1 1 36.01 2.494 24 1.3 17 9 0 49.99 1.824 24 0.79

PAU

Paulingite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

PHI Phillipsite

CHEMICAL COMPOSITION: |K2Ca1.7Na0.4(H2O)13.5| [Si10.6Al5.3O32]Casal Brunori, Rome, Italy

REFINED COMPOSITION: |K2Ca1.648(H2O)12| [Si10.7Al5.3O32]



REFERENCE: R. Rinaldi, J. J. Pluth and J. V. Smith,Acta Cryst. B30 2426–2433 (1974).


1 0 0 10.84 8.159 2 10.8 1 0 2 32.44 2.760 2 22.1 -1 4 3 41.45 2.178 4 1.3-1 0 1 10.93 8.095 2 24.3 1 4 1 32.52 2.753 4 13.3 3 4 0 41.73 2.165 4 4.80 0 1 12.35 7.169 2 82.5 -1 0 3 32.59 2.747 2 13.7 -3 4 3 41.95 2.154 4 9.00 2 0 12.38 7.150 2 64.3 -1 4 2 32.61 2.746 4 18.2 2 1 2 42.36 2.134 4 1.41 1 0 12.49 7.087 4 30.5 1 1 2 33.06 2.710 4 26.8 -3 5 2 42.39 2.132 4 1.6

-1 1 1 12.56 7.045 4 1.4 1 5 0 33.19 2.699 4 27.1 -3 1 4 42.47 2.128 4 0.330 1 1 13.82 6.409 4 37.0 -3 0 3 33.20 2.698 2 6.5 1 6 1 43.37 2.086 4 3.31 2 0 16.48 5.377 4 33.6 -1 1 3 33.20 2.698 4 11.0 -1 6 2 43.44 2.083 4 0.72

-1 2 1 16.54 5.359 4 18.6 -1 5 1 33.22 2.697 4 4.8 3 2 1 43.58 2.077 4 2.40 2 1 17.52 5.063 4 45.8 2 2 1 33.23 2.696 4 10.0 2 2 2 43.82 2.066 4 2.2

-2 0 1 17.98 4.932 2 75.3 2 4 0 33.32 2.689 4 1.7 -3 2 4 43.93 2.061 4 1.9-2 1 1 19.03 4.663 4 11.7 -2 4 2 33.44 2.679 4 6.5 -2 6 2 44.09 2.054 4 1.71 0 1 20.58 4.315 2 10.6 -2 2 3 33.46 2.678 4 23.4 -2 2 4 44.10 2.053 4 5.1

-1 0 2 20.72 4.287 2 14.1 3 1 0 33.54 2.672 4 10.9 2 5 1 44.40 2.040 4 2.91 1 1 21.51 4.131 4 44.8 0 5 1 33.74 2.656 4 8.1 4 0 0 44.41 2.040 2 5.31 3 0 21.59 4.116 4 11.8 -3 3 2 33.74 2.656 4 2.4 -2 5 3 44.59 2.032 4 0.73

-1 3 1 21.63 4.107 4 6.8 -3 1 3 33.80 2.652 4 6.4 -4 4 2 44.64 2.030 4 0.47-1 1 2 21.64 4.106 4 46.8 1 2 2 34.84 2.575 4 6.2 1 0 3 45.13 2.009 2 1.0-2 2 1 21.89 4.060 4 27.1 -1 2 3 34.99 2.565 4 4.6 -1 0 4 45.29 2.002 2 4.3-2 0 2 21.96 4.048 2 5.4 3 2 0 35.31 2.542 4 6.8 1 1 3 45.60 1.989 4 2.50 3 1 22.40 3.969 4 3.2 0 4 2 35.46 2.531 4 16.1 0 6 2 45.71 1.985 4 1.12 1 0 22.67 3.923 4 10.7 -3 2 3 35.56 2.525 4 7.3 1 7 0 45.79 1.982 4 6.51 2 1 24.09 3.695 4 2.1 -4 0 2 36.43 2.466 2 3.1 3 3 1 45.94 1.975 4 2.7

-1 2 2 24.21 3.677 4 3.6 -4 1 2 36.99 2.430 4 2.3 3 5 0 46.05 1.971 4 1.40 0 2 24.84 3.585 2 0.34 0 0 3 37.64 2.390 2 0.46 2 3 2 46.18 1.966 4 1.80 1 2 25.62 3.477 4 6.8 -3 4 1 37.65 2.389 4 14.3 0 7 1 46.21 1.965 4 0.39

-2 3 1 26.00 3.428 4 7.2 1 3 2 37.66 2.388 4 4.5 -3 5 3 46.25 1.963 4 3.71 4 0 27.23 3.274 4 40.0 -3 4 2 37.73 2.384 4 5.2 -3 3 4 46.28 1.962 4 1.5

-1 4 1 27.27 3.270 4 21.5 1 5 1 37.73 2.384 4 0.73 4 2 0 46.28 1.962 4 3.3-3 0 1 27.78 3.211 2 13.5 -1 5 2 37.81 2.379 4 3.0 -5 0 2 46.40 1.957 2 3.90 2 2 27.84 3.204 4 59.5 3 3 0 38.09 2.362 4 3.9 -5 0 3 46.52 1.952 2 4.60 4 1 27.89 3.199 4 100.0 0 1 3 38.18 2.357 4 1.9 -4 4 3 46.58 1.950 4 1.5

-3 0 2 27.89 3.199 2 17.9 -3 3 3 38.33 2.348 4 0.40 -4 2 4 46.64 1.947 4 2.11 3 1 27.89 3.199 4 7.9 2 5 0 38.44 2.342 4 7.6 -5 1 2 46.86 1.939 4 0.41

-1 3 2 27.99 3.188 4 17.7 -2 5 2 38.54 2.336 4 11.4 -5 1 3 46.97 1.934 4 2.4-3 1 1 28.49 3.133 4 62.1 -4 2 2 38.62 2.331 4 1.6 -3 6 1 47.51 1.914 4 1.3-3 1 2 28.59 3.122 4 45.5 -4 0 3 38.71 2.326 2 0.68 -3 6 2 47.58 1.911 4 3.82 3 0 28.80 3.099 4 1.4 -4 1 1 39.03 2.307 4 0.97 -5 2 2 48.22 1.887 4 2.0

-2 3 2 28.94 3.085 4 10.5 -4 1 3 39.24 2.296 4 3.9 4 3 0 48.55 1.875 4 1.1-3 2 1 30.52 2.929 4 22.9 0 6 1 39.86 2.262 4 0.70 3 4 1 49.11 1.855 4 1.2-3 2 2 30.61 2.920 4 14.5 2 4 1 39.93 2.257 4 6.3 1 3 3 49.22 1.851 4 0.402 0 1 30.71 2.911 2 0.83 -2 4 3 40.14 2.247 4 0.92 1 7 1 49.35 1.846 4 0.63

-2 4 1 30.89 2.895 4 1.2 0 5 2 40.34 2.236 4 6.5 -3 4 4 49.43 1.844 4 0.45-2 0 3 30.96 2.888 2 12.7 -4 3 2 41.21 2.190 4 2.2 -2 4 4 49.59 1.838 4 1.10 3 2 31.22 2.865 4 0.80 1 4 2 41.33 2.185 4 0.75 0 5 3 49.72 1.834 4 8.5

PH

IPhillipsite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

PHI Harmotome

CHEMICAL COMPOSITION: |Ba2Ca0.5(H2O)12| [Si12Al4O32]Andreasberg, Hartz, Germany

REFINED COMPOSITION: |Ba2Ca0.6(H2O)12| [Si12Al4O32]





-1 0 1 10.87 8.136 2 51.2 1 0 2 32.68 2.740 2 6.7 3 4 0 42.07 2.148 4 5.21 0 0 10.91 8.111 2 62.2 -1 4 2 32.82 2.729 4 17.1 -2 0 4 42.10 2.146 2 1.30 0 1 12.40 7.137 2 70.8 1 4 1 32.86 2.726 4 14.6 -2 6 1 42.50 2.127 4 2.2

-1 1 1 12.55 7.052 4 12.0 -1 1 3 33.25 2.695 4 11.7 0 3 3 42.57 2.124 4 0.641 1 0 12.58 7.036 4 5.8 1 1 2 33.30 2.690 4 22.6 -3 5 1 42.63 2.121 4 0.680 1 1 13.90 6.372 4 100.0 -2 2 3 33.42 2.681 4 10.3 2 1 2 42.72 2.117 4 0.650 2 1 17.66 5.023 4 33.7 2 2 1 33.51 2.674 4 11.5 -4 3 1 43.29 2.090 4 1.5

-2 0 1 17.96 4.939 2 0.70 -1 5 1 33.55 2.671 4 14.0 -1 6 2 43.83 2.066 4 3.6-1 0 2 20.69 4.292 2 18.6 1 5 0 33.56 2.670 4 14.3 1 6 1 43.85 2.064 4 5.01 0 1 20.75 4.282 2 10.0 -2 4 2 33.59 2.668 4 7.0 3 2 1 43.95 2.060 4 2.1

-1 1 2 21.64 4.107 4 14.1 2 4 0 33.63 2.665 4 1.3 -2 2 4 44.10 2.054 4 7.51 1 1 21.69 4.098 4 23.6 -3 1 3 33.65 2.663 4 4.2 2 2 2 44.20 2.049 4 4.3

-1 3 1 21.79 4.078 4 29.2 -3 3 2 33.78 2.654 4 0.80 4 0 0 44.69 2.028 2 4.21 3 0 21.81 4.075 4 14.5 -3 3 1 33.81 2.651 4 0.85 -4 4 2 44.76 2.025 4 1.2

-2 2 1 21.95 4.049 4 42.4 0 5 1 34.10 2.629 4 9.9 -2 5 3 44.79 2.024 4 2.50 3 1 22.61 3.933 4 2.6 -1 2 3 35.07 2.559 4 3.6 2 5 1 44.86 2.021 4 1.9

-2 1 2 22.75 3.909 4 8.6 1 2 2 35.12 2.555 4 3.0 -4 1 4 45.03 2.013 4 4.42 1 0 22.81 3.898 4 18.6 -3 2 3 35.45 2.532 4 16.2 -1 0 4 45.38 1.998 2 3.1

-1 2 2 24.26 3.669 4 2.9 3 2 0 35.55 2.525 4 10.8 1 0 3 45.44 1.996 2 3.11 2 1 24.30 3.662 4 3.5 0 4 2 35.75 2.511 4 11.4 1 1 3 45.92 1.976 4 1.50 0 2 24.95 3.569 2 2.9 -4 0 2 36.38 2.470 2 2.0 1 5 2 46.12 1.968 4 1.60 4 0 25.19 3.535 2 3.6 -2 3 3 36.40 2.468 4 6.1 0 6 2 46.16 1.966 4 2.5

-2 2 2 25.26 3.526 4 1.4 2 3 1 36.48 2.463 4 1.4 -3 3 4 46.22 1.964 4 2.90 1 2 25.75 3.460 4 10.6 -4 1 2 36.95 2.433 4 1.3 -1 7 1 46.31 1.960 4 0.87

-2 3 1 26.13 3.410 4 3.8 0 0 3 37.81 2.379 2 2.3 3 3 1 46.35 1.959 4 0.84-1 4 1 27.51 3.242 4 16.4 -1 3 3 37.93 2.372 4 4.1 -5 0 3 46.37 1.958 2 1.31 4 0 27.53 3.240 4 27.6 1 3 2 37.98 2.369 4 6.1 -3 5 3 46.39 1.957 4 1.0

-3 0 2 27.78 3.211 2 9.8 1 5 1 38.14 2.360 4 2.9 -5 0 2 46.42 1.956 2 3.9-3 0 1 27.82 3.206 2 1.0 0 6 0 38.19 2.357 2 1.5 -4 2 4 46.46 1.955 4 3.10 2 2 28.01 3.186 4 8.0 0 1 3 38.37 2.346 4 1.3 3 5 0 46.47 1.954 4 1.8

-1 3 2 28.12 3.173 4 2.6 3 3 0 38.38 2.345 4 6.4 4 2 0 46.59 1.949 4 6.70 4 1 28.17 3.168 4 32.2 -4 0 3 38.53 2.336 2 1.8 2 3 2 46.60 1.949 4 1.9

-3 1 2 28.51 3.131 4 42.8 -4 2 2 38.62 2.332 4 4.0 -4 4 3 46.60 1.949 4 1.3-3 1 1 28.54 3.127 4 38.9 -2 5 2 38.78 2.322 4 6.6 -5 1 3 46.84 1.939 4 1.2-2 3 2 29.00 3.079 4 11.2 2 5 0 38.82 2.320 4 9.7 -1 2 4 47.27 1.923 4 1.92 3 0 29.05 3.074 4 12.0 -4 1 3 39.08 2.305 4 3.6 1 2 3 47.32 1.921 4 3.0

-3 2 2 30.58 2.924 4 6.8 -4 1 1 39.16 2.301 4 8.7 -3 6 2 47.88 1.900 4 1.6-3 2 1 30.61 2.920 4 20.5 -1 6 1 39.82 2.263 4 0.86 -3 6 1 47.91 1.899 4 2.5-2 0 3 30.86 2.897 2 5.2 1 6 0 39.83 2.263 4 2.8 -3 4 4 49.44 1.843 4 1.82 0 1 30.96 2.888 2 1.4 0 2 3 39.98 2.255 4 3.4 -1 3 4 49.54 1.840 4 0.99

-2 4 1 31.11 2.875 4 3.4 -2 4 3 40.25 2.241 4 4.0 1 3 3 49.60 1.838 4 0.930 3 2 31.44 2.845 4 6.3 0 6 1 40.30 2.238 4 1.1 -2 4 4 49.70 1.834 4 1.6

-2 1 3 31.52 2.838 4 3.2 2 4 1 40.32 2.237 4 5.6 2 4 2 49.80 1.831 4 1.22 1 1 31.62 2.830 4 0.97 -4 2 3 40.67 2.218 4 2.8 -5 0 4 49.92 1.827 2 1.2

-1 0 3 32.62 2.745 2 4.5 -3 4 3 41.99 2.152 4 10.2 2 6 1 49.95 1.826 4 1.4

PH

IH

armotom

e

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

PON IST-1

CHEMICAL COMPOSITION: |(CH3NH2)4(CH3NH+3 )4(OH−)4| [Al12P12O48]

REFINED COMPOSITION: |C12N10.88O4.5| [Al12P12O48]



REFERENCE: J. L. Jorda, L. B. McCusker, Ch. Baerlocher, C. M. Morais, J. Rocha,C. Fernandez, C. Borges, J. P. Lourenco, M. F. Ribeiro and Z. Gabelica,Microporous and Mesoporous Materials 65 43–57 (2003).


0 1 0 10.20 8.669 2 26.7 0 1 6 34.76 2.581 4 3.0 4 2 1 43.41 2.085 8 0.980 0 2 10.91 8.110 2 100.0 3 2 0 34.81 2.577 4 0.09 3 3 2 43.62 2.075 8 0.141 1 0 13.75 6.438 4 7.5 2 1 5 34.93 2.568 8 2.7 2 2 6 43.72 2.070 8 0.451 1 1 14.80 5.984 8 47.1 3 2 1 35.26 2.545 8 2.9 4 0 4 43.78 2.068 4 2.00 1 2 14.96 5.922 4 7.1 2 2 4 35.61 2.521 8 0.66 1 4 2 44.27 2.046 8 0.171 1 2 17.59 5.043 8 3.7 1 2 5 35.81 2.507 8 10.7 4 2 2 44.52 2.035 8 0.362 0 0 18.45 4.807 2 0.67 1 1 6 36.03 2.493 8 2.3 2 1 7 44.65 2.029 8 2.12 0 1 19.26 4.609 4 17.6 2 3 0 36.27 2.477 4 0.09 0 0 8 44.69 2.027 2 0.260 2 0 20.49 4.334 2 1.3 1 3 3 36.47 2.463 8 0.43 3 2 5 44.92 2.018 8 0.202 1 0 21.13 4.204 4 0.33 3 2 2 36.59 2.456 8 1.7 3 1 6 45.10 2.010 8 0.881 1 3 21.46 4.140 8 14.7 2 3 1 36.71 2.448 8 2.4 1 2 7 45.37 1.999 8 3.92 0 2 21.49 4.135 4 4.4 3 1 4 37.23 2.415 8 0.38 3 3 3 45.47 1.995 8 0.722 1 1 21.84 4.070 8 7.2 4 0 0 37.41 2.404 2 2.6 2 4 0 45.93 1.976 4 0.490 0 4 21.92 4.055 2 10.7 4 0 1 37.84 2.378 4 0.48 0 1 8 45.97 1.974 4 0.821 2 1 23.17 3.839 8 19.8 2 3 2 37.99 2.369 8 1.0 0 3 6 45.97 1.974 4 1.80 2 2 23.27 3.823 4 0.04 2 0 6 38.19 2.356 4 2.8 1 4 3 46.10 1.969 8 0.152 1 2 23.84 3.733 8 31.0 0 3 4 38.24 2.353 4 1.8 2 3 5 46.11 1.969 8 0.800 1 4 24.23 3.673 4 42.1 3 2 3 38.71 2.326 8 2.3 2 4 1 46.29 1.961 8 3.62 0 3 24.78 3.593 4 17.0 4 1 0 38.88 2.316 4 3.5 4 2 3 46.34 1.959 8 1.11 2 2 25.07 3.552 8 52.8 4 0 2 39.08 2.305 4 2.7 1 1 8 46.98 1.934 8 0.391 1 4 25.97 3.431 8 1.5 0 2 6 39.28 2.294 4 1.6 1 3 6 46.99 1.934 8 1.62 1 3 26.86 3.319 8 3.7 4 1 1 39.29 2.293 8 1.6 4 0 5 47.05 1.931 4 0.402 2 0 27.71 3.219 4 13.8 1 3 4 39.42 2.286 8 1.6 2 4 2 47.36 1.920 8 0.401 2 3 27.97 3.190 8 7.8 2 2 5 39.43 2.285 8 0.44 0 4 4 47.57 1.911 4 0.552 2 1 28.26 3.158 8 2.2 2 1 6 39.64 2.274 8 4.7 3 3 4 47.96 1.897 8 0.462 0 4 28.80 3.100 4 0.20 2 3 3 40.04 2.252 8 4.2 4 1 5 48.28 1.885 8 0.503 1 0 29.72 3.006 4 8.1 1 2 6 40.43 2.231 8 0.68 2 2 7 48.40 1.881 8 0.862 2 2 29.86 2.992 8 0.61 4 1 2 40.50 2.227 8 0.19 5 1 0 48.49 1.877 4 1.00 2 4 30.18 2.961 4 0.14 3 1 5 40.93 2.205 8 0.01 1 4 4 48.56 1.875 8 0.283 1 1 30.24 2.956 8 30.6 4 0 3 41.09 2.196 4 0.29 2 0 8 48.74 1.868 4 1.72 1 4 30.63 2.919 8 2.4 1 1 7 41.41 2.180 8 1.1 4 2 4 48.80 1.866 8 1.31 1 5 30.86 2.897 8 13.8 3 2 4 41.52 2.175 8 0.35 3 2 6 48.82 1.865 8 0.470 3 0 30.95 2.890 2 0.69 0 4 0 41.67 2.167 2 0.42 5 1 1 48.83 1.865 8 3.11 2 4 31.61 2.830 8 6.2 3 3 0 42.10 2.146 4 0.18 2 4 3 49.09 1.856 8 0.263 1 2 31.74 2.819 8 1.8 4 1 3 42.45 2.129 8 1.4 4 3 0 49.31 1.848 4 0.181 3 0 32.35 2.767 4 2.7 3 3 1 42.49 2.128 8 0.88 0 2 8 49.64 1.837 4 0.602 2 3 32.37 2.766 8 2.4 1 4 0 42.77 2.114 4 0.08 4 3 1 49.65 1.836 8 0.221 3 1 32.83 2.728 8 3.1 2 3 4 42.78 2.114 8 1.5 3 1 7 49.68 1.835 8 0.490 3 2 32.90 2.722 4 10.4 1 3 5 42.96 2.105 8 1.9 5 1 2 49.86 1.829 8 0.560 0 6 33.14 2.703 2 0.57 4 2 0 43.03 2.102 4 0.44 2 1 8 49.94 1.826 8 0.752 0 5 33.32 2.689 4 2.6 1 4 1 43.15 2.096 8 1.6 2 3 6 49.94 1.826 8 0.873 1 3 34.13 2.627 8 5.0 0 4 2 43.21 2.094 4 0.241 3 2 34.24 2.619 8 2.0 2 0 7 43.35 2.087 4 1.5

PO

NIS

T-1

504030201002 theta (°)

60

50

40

30

20

10

0

RHO Rho, Hydrated

CHEMICAL COMPOSITION: |Na9.77Cs2.05(H2O)73| [Si35.94Al12.06O96]

REFINED COMPOSITION: |Na2.88Cs3.12(H2O)73.27| [Si35.95Al12.05O96]



REFERENCE: L. B. McCusker and Ch. Baerlocher,in Proceedings of the 6th International Zeolite Conference, Reno 1983,Ed. by D. H. Olson and A. Bisio (Butterworth: Guildford) 812–822 (1984).


1 1 0 8.32 10.629 12 70.2 5 1 0 30.32 2.948 24 26.1 5 5 0 42.53 2.126 12 3.82 0 0 11.77 7.516 6 1.9 5 2 1 32.63 2.744 48 33.5 7 1 0 42.53 2.126 24 2.92 1 1 14.43 6.136 24 5.0 4 4 0 33.73 2.657 12 3.0 6 4 0 43.41 2.084 24 0.102 2 0 16.68 5.314 12 18.2 4 3 3 34.80 2.578 24 3.5 7 2 1 44.28 2.045 48 0.283 1 0 18.67 4.753 24 49.0 5 3 0 34.80 2.578 24 3.5 6 3 3 44.28 2.045 24 0.022 2 2 20.47 4.339 8 13.0 4 4 2 35.84 2.505 24 32.1 5 5 2 44.28 2.045 24 5.53 2 1 22.13 4.017 48 16.2 6 0 0 35.84 2.505 6 0.22 6 4 2 45.14 2.009 48 0.354 0 0 23.68 3.758 6 7.8 5 3 2 36.86 2.438 48 2.9 7 3 0 45.98 1.974 24 1.43 3 0 25.14 3.543 12 2.6 6 1 1 36.86 2.438 24 0.13 6 5 1 47.64 1.909 48 6.84 1 1 25.14 3.543 24 100.0 6 2 0 37.85 2.377 24 1.3 7 3 2 47.64 1.909 48 1.54 2 0 26.52 3.361 24 49.5 5 4 1 38.83 2.319 48 0.47 8 0 0 48.45 1.879 6 8.53 3 2 27.84 3.205 24 11.4 6 2 2 39.78 2.266 24 2.1 8 1 1 49.25 1.850 24 1.14 2 2 29.10 3.068 24 8.4 6 3 1 40.71 2.216 48 4.7 7 4 1 49.25 1.850 48 2.54 3 1 30.32 2.948 48 7.1 4 4 4 41.63 2.170 8 0.04 5 5 4 49.25 1.850 24 4.0

RH

ORho,

Hydrated

504030201002 theta (°)

70

60

50

40

30

20

10

0

RHO Pahasapaite

CHEMICAL COMPOSITION: |Li11.6Na0.192K1.2Ca5.5(H2O)38213.5| [Be24P24O96]2 = cation vacancy.Custer, S. Dakota, U.S.A.

REFINED COMPOSITION: |Li11.6Na0.192K1.2Ca5.5(H2O)38| [Be24P24O96]



REFERENCE: R. C. Rouse, D. R. Peacor and S. Merlino,American Mineralogist 74 1195–1202 (1989).


1 1 0 9.07 9.745 12 100.0 5 1 0 33.15 2.703 12 0.30 6 1 3 44.59 2.032 24 2.12 0 0 12.85 6.891 6 0.09 5 0 1 33.15 2.703 12 9.9 6 3 1 44.59 2.032 24 0.122 1 1 15.75 5.626 24 14.7 5 1 2 35.68 2.516 24 4.2 4 4 4 45.61 1.989 8 4.02 2 0 18.21 4.872 12 11.7 5 2 1 35.68 2.516 24 5.5 5 5 0 46.60 1.949 12 3.83 1 0 20.38 4.358 12 19.0 4 4 0 36.90 2.436 12 0.06 5 3 4 46.60 1.949 24 1.63 0 1 20.38 4.358 12 0.74 5 0 3 38.07 2.363 12 0.09 7 0 1 46.60 1.949 12 1.32 2 2 22.35 3.978 8 8.3 5 3 0 38.07 2.363 12 2.3 5 4 3 46.60 1.949 24 0.663 1 2 24.16 3.683 24 31.3 4 3 3 38.07 2.363 24 1.2 7 1 0 46.60 1.949 12 1.13 2 1 24.16 3.683 24 7.3 4 4 2 39.22 2.297 24 1.1 6 4 0 47.58 1.911 12 0.014 0 0 25.86 3.445 6 6.8 6 0 0 39.22 2.297 6 7.4 6 0 4 47.58 1.911 12 1.84 1 1 27.46 3.248 24 43.7 5 3 2 40.34 2.236 24 0.38 7 2 1 48.54 1.875 24 0.733 3 0 27.46 3.248 12 0.40 5 2 3 40.34 2.236 24 5.3 5 5 2 48.54 1.875 24 0.344 0 2 28.97 3.082 12 19.7 6 1 1 40.34 2.236 24 6.1 7 1 2 48.54 1.875 24 0.294 2 0 28.97 3.082 12 0.40 6 2 0 41.44 2.179 12 3.1 6 3 3 48.54 1.875 24 0.693 3 2 30.42 2.938 24 32.0 6 0 2 41.44 2.179 12 0.57 6 2 4 49.49 1.842 24 3.94 2 2 31.81 2.813 24 8.5 5 1 4 42.51 2.126 24 0.86 6 4 2 49.49 1.842 24 0.134 1 3 33.15 2.703 24 5.2 5 4 1 42.51 2.126 24 3.34 3 1 33.15 2.703 24 3.4 6 2 2 43.56 2.078 24 6.2

RH

OPahasapaite

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

RHO Rho, Deuterated Berylloarsenate

CHEMICAL COMPOSITION: |Rb24(D2O)3.2| [Be24As24O96]

REFINED COMPOSITION: |Rb24(D2O)3.2| [Be24As24O96]


neutron Rwp = 0.041, X-ray Rwp = 0.145

REFERENCE: J. B. Parise, D. R. Corbin, T. E. Gier, R. L. Harlow, L. Abrams andR. B. Von Dreele, Zeolites 12 360–368 (1992).And J. B. Parise, Private communication (1994).


1 1 0 8.93 9.900 12 50.6 5 0 1 32.61 2.746 12 10.3 6 3 1 43.86 2.064 24 14.92 0 0 12.64 7.001 6 9.6 5 1 0 32.61 2.746 12 0.53 6 1 3 43.86 2.064 24 3.02 1 1 15.50 5.716 24 17.6 5 1 2 35.10 2.556 24 31.7 4 4 4 44.85 2.021 8 0.662 2 0 17.92 4.950 12 4.4 5 2 1 35.10 2.556 24 18.4 5 4 3 45.83 1.980 24 4.63 1 0 20.05 4.428 12 1.6 4 4 0 36.30 2.475 12 6.9 7 1 0 45.83 1.980 12 0.233 0 1 20.05 4.428 12 22.9 5 0 3 37.45 2.401 12 4.7 7 0 1 45.83 1.980 12 0.322 2 2 21.99 4.042 8 5.0 4 3 3 37.45 2.401 24 3.5 5 3 4 45.83 1.980 24 5.83 2 1 23.78 3.742 24 84.6 5 3 0 37.45 2.401 12 0.94 5 5 0 45.83 1.980 12 2.03 1 2 23.78 3.742 24 23.3 6 0 0 38.58 2.334 6 2.0 6 0 4 46.79 1.942 12 7.64 0 0 25.45 3.500 6 1.7 4 4 2 38.58 2.334 24 1.8 6 4 0 46.79 1.942 12 1.14 1 1 27.02 3.300 24 100.0 6 1 1 39.68 2.271 24 4.6 6 3 3 47.73 1.905 24 3.43 3 0 27.02 3.300 12 2.6 5 3 2 39.68 2.271 24 0.49 7 1 2 47.73 1.905 24 5.94 2 0 28.51 3.131 12 4.0 5 2 3 39.68 2.271 24 6.9 5 5 2 47.73 1.905 24 1.04 0 2 28.51 3.131 12 53.3 6 2 0 40.76 2.214 12 5.3 7 2 1 47.73 1.905 24 7.53 3 2 29.93 2.985 24 65.5 6 0 2 40.76 2.214 12 0.17 6 4 2 48.67 1.871 24 8.74 2 2 31.30 2.858 24 27.0 5 1 4 41.81 2.160 24 7.6 6 2 4 48.67 1.871 24 2.94 3 1 32.61 2.746 24 22.7 5 4 1 41.81 2.160 24 8.9 7 3 0 49.58 1.838 12 0.814 1 3 32.61 2.746 24 6.3 6 2 2 42.84 2.111 24 4.2 7 0 3 49.58 1.838 12 2.3

RH

ORho,

Deuterated

Berylloarsenate

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

-RON Roggianite

CHEMICAL COMPOSITION: |Ca16(H2O)<2.5| [(Be(OH)2)8Si32Al16O104]Pizzo Marcio, Val Vigezzo, Italy

REFINED COMPOSITION: |Ca16(H2O)18.72| [(Be(OH)2)8Si32Al16O104]

CRYSTAL DATA: I 4/m cm (No. 140)a = 18.33 A b = 18.33 A c = 9.16 Aα = 90◦ β = 90◦ γ = 90◦

X-ray single crystal refinement, Robs = 0.034

REFERENCE: G. Giuseppetti, F. Mazzi, C. Tadini and E. Galli,Neues Jahrb. Mineral. Monatsh. 7 307–314 (1991).


1 1 0 6.82 12.961 4 100.0 4 4 2 33.89 2.645 8 8.5 8 3 1 43.31 2.089 16 0.512 0 0 9.65 9.165 4 35.0 6 3 1 34.24 2.618 16 0.75 5 4 3 43.33 2.088 16 0.042 2 0 13.66 6.481 4 2.8 3 2 3 34.26 2.618 16 0.99 8 4 0 44.19 2.049 8 0.622 1 1 14.50 6.109 16 25.5 7 1 0 34.60 2.592 8 0.52 8 0 2 44.20 2.049 8 3.13 1 0 15.29 5.796 8 6.0 5 5 0 34.60 2.592 4 2.5 4 0 4 44.21 2.048 8 0.174 0 0 19.37 4.582 4 0.61 5 3 2 34.61 2.592 16 0.55 9 1 0 44.77 2.024 8 2.00 0 2 19.38 4.580 2 0.22 6 4 0 35.31 2.542 8 0.18 3 3 4 44.79 2.023 8 0.533 2 1 19.97 4.445 16 0.62 6 0 2 35.32 2.541 8 11.4 8 2 2 45.35 2.000 16 0.313 3 0 20.56 4.320 4 1.8 4 1 3 35.67 2.517 16 1.4 4 2 4 45.36 1.999 16 0.041 1 2 20.57 4.318 8 3.0 6 2 2 36.69 2.449 16 5.0 6 6 2 46.48 1.954 8 0.544 2 0 21.68 4.099 8 0.62 7 2 1 37.03 2.428 16 0.31 7 6 1 46.75 1.943 16 1.92 0 2 21.69 4.097 8 5.0 7 3 0 37.36 2.407 8 0.12 9 2 1 46.75 1.943 16 0.354 1 1 22.23 4.000 16 0.44 4 3 3 38.37 2.346 16 2.8 7 2 3 46.76 1.943 16 0.022 2 2 23.79 3.740 8 5.2 8 0 0 39.32 2.291 4 2.2 9 3 0 47.03 1.932 8 5.55 1 0 24.77 3.595 8 1.1 0 0 4 39.34 2.290 2 4.8 7 5 2 47.03 1.932 16 0.133 1 2 24.77 3.594 16 21.7 6 5 1 39.64 2.273 16 1.5 5 1 4 47.05 1.931 16 0.564 3 1 26.18 3.404 16 28.0 5 2 3 39.65 2.273 16 0.73 8 5 1 47.86 1.901 16 0.094 0 2 27.53 3.239 8 5.3 5 5 2 39.96 2.256 8 0.84 8 4 2 48.67 1.871 16 0.015 2 1 27.96 3.191 16 14.9 1 1 4 39.98 2.255 8 1.5 4 4 4 48.69 1.870 8 0.175 3 0 28.39 3.144 8 9.7 8 2 0 40.58 2.223 8 3.1 6 5 3 48.95 1.861 16 0.883 3 2 28.40 3.143 8 6.2 2 0 4 40.61 2.222 8 0.31 7 7 0 49.21 1.852 4 3.24 2 2 29.24 3.054 16 0.39 7 4 1 40.90 2.207 16 0.08 5 3 4 49.23 1.851 16 7.76 2 0 30.85 2.898 8 5.0 6 6 0 41.82 2.160 4 0.78 10 0 0 49.74 1.833 4 0.016 1 1 31.25 2.863 16 5.2 2 2 4 41.84 2.159 8 0.78 8 6 0 49.74 1.833 8 1.02 1 3 31.26 2.861 16 6.3 6 1 3 42.13 2.145 16 0.31 6 0 4 49.76 1.832 8 0.885 1 2 31.64 2.828 16 12.8 7 3 2 42.43 2.131 16 2.65 4 1 32.78 2.732 16 0.74 3 1 4 42.44 2.130 16 0.26

-RO

NRoggianite

504030201002 theta (°)

40

35

30

25

20

15

10

5

0

RRO RUB-41



CRYSTAL DATA: P 2/c (No. 13; unique axis b, cell choice 1)a = 7.345 A b = 8.724 A c = 17.152 Aα = 90.0◦ β = 114.2◦ γ = 90.0◦


REFERENCE: Y. Wang, B. Marler, H. Gies and U. Muller,Chem. Mater. 17 43–49 (2005).


0 1 0 10.14 8.724 2 100.0 -2 2 2 31.86 2.809 4 2.2 -3 1 6 42.39 2.132 4 0.170 0 2 11.31 7.822 2 26.5 -2 2 1 32.29 2.772 4 0.11 -1 0 8 42.51 2.126 2 0.730 1 1 11.61 7.619 4 1.00 -2 2 3 32.47 2.757 4 2.8 -3 2 2 42.65 2.120 4 0.121 0 0 13.22 6.700 2 6.5 1 1 4 32.54 2.752 4 0.32 -2 0 8 42.94 2.106 2 0.30

-1 0 2 13.42 6.597 2 7.7 0 3 2 32.86 2.726 4 0.59 0 4 2 43.05 2.101 4 0.140 1 2 15.21 5.824 4 4.4 1 2 3 32.92 2.721 4 1.8 2 3 1 43.11 2.098 4 0.17

-1 1 1 15.77 5.618 4 11.9 -1 1 6 32.98 2.716 4 0.10 1 1 6 43.34 2.088 4 0.301 1 0 16.68 5.314 4 2.5 -1 3 1 33.13 2.704 4 0.29 1 4 0 43.64 2.074 4 0.05

-1 1 2 16.85 5.262 4 6.1 -1 2 5 33.27 2.693 4 0.13 -1 4 2 43.71 2.071 4 0.201 1 1 19.31 4.597 4 7.2 1 3 0 33.60 2.668 4 1.6 -3 2 1 43.76 2.069 4 0.26

-1 1 3 19.59 4.530 4 12.8 -1 3 2 33.68 2.661 4 0.31 -1 1 8 43.82 2.066 4 0.040 1 3 19.83 4.476 4 19.5 -2 2 4 34.08 2.631 4 0.33 -3 2 5 44.17 2.050 4 0.670 2 0 20.36 4.362 2 1.3 2 1 2 34.73 2.583 4 0.28 -2 1 8 44.24 2.047 4 0.031 0 2 20.69 4.293 2 0.51 1 3 1 35.03 2.561 4 0.09 -1 3 6 44.44 2.038 4 2.1

-1 0 4 21.09 4.212 2 1.0 -1 3 3 35.20 2.550 4 0.21 3 1 1 44.50 2.036 4 0.040 0 4 22.74 3.911 2 2.8 0 2 5 35.30 2.542 4 0.91 1 4 1 44.81 2.023 4 0.051 1 2 23.09 3.852 4 11.3 0 3 3 35.34 2.540 4 0.59 -1 4 3 44.94 2.017 4 0.490 2 2 23.35 3.810 4 2.9 -2 1 6 35.39 2.536 4 0.67 0 4 3 45.06 2.012 4 0.25

-1 1 4 23.45 3.793 4 0.34 0 1 6 35.95 2.498 4 0.42 -3 1 7 45.30 2.002 4 0.26-1 2 1 23.72 3.750 4 0.04 2 2 1 36.08 2.489 4 0.25 3 2 0 45.64 1.988 4 1.7-2 0 2 24.24 3.672 2 1.9 -2 2 5 36.57 2.457 4 0.63 2 3 2 45.82 1.980 4 0.09-1 2 2 24.46 3.639 4 2.7 -3 0 4 37.29 2.411 2 1.1 -3 2 6 46.23 1.964 4 0.400 1 4 24.95 3.569 4 0.05 -1 3 4 37.58 2.393 4 1.0 0 0 8 46.43 1.956 2 0.031 2 1 26.25 3.395 4 0.06 -1 2 6 37.63 2.391 4 1.2 3 0 2 46.65 1.947 2 0.08

-2 1 2 26.33 3.384 4 9.1 1 1 5 37.81 2.379 4 0.13 0 3 6 46.79 1.941 4 0.28-1 2 3 26.46 3.368 4 10.1 -3 1 3 38.18 2.357 4 0.10 -1 4 4 46.91 1.937 4 0.162 0 0 26.61 3.350 2 2.8 0 3 4 38.58 2.334 4 0.47 1 2 6 47.12 1.929 4 0.230 2 3 26.64 3.346 4 11.6 2 1 3 38.83 2.319 4 0.27 -1 2 8 47.57 1.911 4 0.05

-2 1 1 26.85 3.320 4 1.4 -2 3 2 39.53 2.280 4 0.25 0 1 8 47.66 1.908 4 0.33-2 0 4 27.03 3.298 2 4.7 -3 1 1 39.73 2.269 4 0.03 0 4 4 47.75 1.905 4 0.06-2 1 3 27.06 3.295 4 0.25 -2 2 6 39.79 2.265 4 0.05 3 1 2 47.87 1.900 4 0.061 1 3 27.59 3.233 4 0.09 -2 3 1 39.89 2.260 4 0.09 -2 2 8 47.97 1.897 4 0.06

-1 1 5 28.00 3.187 4 0.21 -2 3 3 40.04 2.252 4 0.80 3 2 1 48.21 1.888 4 0.212 1 0 28.54 3.127 4 5.0 -3 1 5 40.17 2.245 4 0.63 1 3 5 48.31 1.884 4 1.0

-2 1 4 28.94 3.085 4 0.09 0 2 6 40.30 2.238 4 0.13 2 1 5 48.39 1.881 4 0.821 2 2 29.19 3.060 4 2.4 3 0 0 40.39 2.233 2 0.09 -3 3 3 48.62 1.873 4 0.21

-1 2 4 29.48 3.030 4 0.32 1 3 3 40.41 2.232 4 0.40 -3 1 8 48.82 1.865 4 0.270 1 5 30.35 2.945 4 3.2 -3 0 6 41.04 2.199 2 0.70 -2 4 1 48.86 1.864 4 0.620 2 4 30.70 2.912 4 0.04 2 3 0 41.10 2.196 4 0.25 -3 3 2 48.89 1.863 4 0.060 3 0 30.75 2.908 2 0.23 0 4 0 41.40 2.181 2 0.07 -3 2 7 48.97 1.860 4 0.161 0 4 30.84 2.900 2 4.0 0 1 7 41.72 2.165 4 0.41 1 1 7 49.09 1.856 4 0.232 1 1 31.24 2.863 4 0.30 3 1 0 41.75 2.163 4 0.50 2 3 3 49.15 1.854 4 0.350 3 1 31.29 2.859 4 0.07 1 2 5 42.00 2.151 4 0.62 -1 1 9 49.59 1.838 4 0.10

-1 0 6 31.30 2.858 2 0.91 1 0 6 42.02 2.150 2 0.32 2 4 0 49.89 1.828 4 0.42-2 1 5 31.79 2.815 4 1.7 2 0 4 42.10 2.146 2 0.17 -3 3 1 49.90 1.828 4 0.06

RRO

RU

B-41

504030201002 theta (°)

30

25

20

15

10

5

0

RSN RUB-17

CHEMICAL COMPOSITION: |K4Na12(H2O)18| [Si28Zn8O72]

REFINED COMPOSITION: |K4Na12(H2O)20.7| [Si28Zn8O72]

CRYSTAL DATA: C1m1 (No. 8; unique axis b, cell choice 1)a = 7.238 A b = 40.56 A c = 7.308 Aα = 90◦ β = 91.8◦ γ = 90◦


REFERENCE: C. Rohrig and H. Gies,Angew. Chem., Int. ed. 34 63–65 (1995).


0 4 0 8.72 10.140 2 16.5 2 6 1 30.90 2.894 4 2.2 3 3 1 40.31 2.238 4 1.90 0 1 12.12 7.304 2 3.5 1 13 0 31.22 2.865 4 1.6 3 7 0 40.52 2.226 4 2.51 1 0 12.43 7.122 4 6.0 1 7 2 31.79 2.814 4 8.9 -3 5 1 40.58 2.223 4 1.80 2 1 12.88 6.872 4 46.7 -2 8 1 32.49 2.756 4 5.4 1 5 3 41.02 2.200 4 2.70 6 0 13.10 6.760 2 1.4 2 8 1 33.09 2.707 4 23.6 0 8 3 41.13 2.195 4 4.21 3 0 13.88 6.379 4 100.0 2 10 0 33.18 2.700 4 2.3 -1 17 1 41.61 2.170 4 7.10 4 1 14.95 5.927 4 7.6 0 14 1 33.27 2.693 4 10.0 -1 7 3 41.79 2.162 4 1.41 5 0 16.42 5.399 4 4.3 -1 13 1 33.45 2.678 4 5.3 1 17 1 41.86 2.158 4 1.4

-1 1 1 17.12 5.180 4 24.4 1 13 1 33.75 2.656 4 2.7 0 18 1 41.96 2.153 4 4.40 8 0 17.49 5.070 2 28.4 1 9 2 34.23 2.620 4 5.7 -3 7 1 42.08 2.147 4 1.81 1 1 17.66 5.022 4 27.9 -2 0 2 34.34 2.611 2 16.6 3 9 0 42.52 2.126 4 2.60 6 1 17.88 4.961 4 31.0 -2 10 1 35.17 2.552 4 8.5 3 7 1 42.80 2.113 4 1.8

-1 3 1 18.21 4.872 4 5.4 0 16 0 35.41 2.535 2 10.9 -1 15 2 43.24 2.092 4 1.51 3 1 18.72 4.740 4 11.5 1 15 0 35.44 2.533 4 2.4 0 16 2 43.45 2.083 4 5.6

-1 5 1 20.22 4.391 4 1.7 2 0 2 35.47 2.531 2 7.8 2 16 0 43.60 2.076 4 1.61 5 1 20.68 4.294 4 5.1 -2 4 2 35.50 2.529 4 2.5 1 15 2 43.71 2.071 4 4.50 8 1 21.33 4.165 4 7.8 2 10 1 35.73 2.513 4 6.4 -1 9 3 43.74 2.070 4 6.01 9 0 23.25 3.825 4 2.2 2 2 2 35.76 2.511 4 5.2 -2 12 2 43.81 2.066 4 1.70 0 2 24.37 3.652 2 4.2 0 12 2 36.21 2.481 4 2.8 -3 1 2 44.42 2.040 4 2.92 0 0 24.61 3.617 2 1.6 2 12 0 36.38 2.470 4 1.8 -2 2 3 44.42 2.039 4 3.52 2 0 25.01 3.561 4 4.0 -1 11 2 36.53 2.460 4 8.7 1 9 3 44.44 2.039 4 1.70 10 1 25.11 3.546 4 15.5 2 4 2 36.60 2.455 4 1.9 3 11 0 44.91 2.018 4 1.30 4 2 25.93 3.436 4 18.7 0 0 3 36.92 2.435 2 3.0 -2 16 1 45.19 2.006 4 3.52 4 0 26.16 3.407 4 5.3 1 11 2 37.07 2.425 4 4.2 2 0 3 45.56 1.991 2 1.30 12 0 26.37 3.380 2 32.9 0 2 3 37.19 2.417 4 2.3 2 16 1 45.65 1.987 4 1.3

-1 1 2 27.09 3.291 4 24.8 3 1 0 37.36 2.407 4 2.3 2 2 3 45.79 1.982 4 1.91 11 0 27.14 3.285 4 37.8 0 16 1 37.56 2.395 4 6.3 -3 5 2 45.82 1.980 4 1.3

-2 0 1 27.16 3.283 2 5.4 1 15 1 37.72 2.385 4 1.7 0 12 3 45.94 1.976 4 1.7-2 2 1 27.52 3.241 4 34.4 3 3 0 37.90 2.374 4 3.2 -1 11 3 46.08 1.970 4 1.60 6 2 27.76 3.213 4 38.5 0 4 3 38.01 2.368 4 1.5 1 19 1 46.15 1.967 4 6.41 1 2 27.79 3.210 4 17.2 -2 12 1 38.22 2.355 4 3.7 3 3 2 46.25 1.963 4 2.8

-1 3 2 27.81 3.208 4 14.8 2 12 1 38.74 2.324 4 4.7 -2 6 3 46.28 1.962 4 3.42 0 1 27.86 3.202 2 6.6 -2 8 2 38.79 2.322 4 2.2 0 20 1 46.47 1.954 4 1.42 6 0 27.98 3.189 4 58.7 3 5 0 38.96 2.312 4 5.3 0 18 2 47.41 1.918 4 3.12 2 1 28.22 3.163 4 19.7 -3 1 1 39.03 2.308 4 1.7 2 18 0 47.54 1.913 4 4.31 3 2 28.50 3.132 4 12.3 1 1 3 39.48 2.282 4 3.2 2 6 3 47.61 1.910 4 3.0

-2 4 1 28.58 3.123 4 1.9 -3 3 1 39.55 2.279 4 2.7 2 14 2 47.72 1.906 4 2.50 12 1 29.11 3.068 4 5.8 0 14 2 39.71 2.270 4 3.2 -2 8 3 47.86 1.900 4 1.6

-1 5 2 29.20 3.059 4 21.2 -1 13 2 39.74 2.268 4 4.6 3 7 2 48.50 1.877 4 3.42 4 1 29.25 3.053 4 4.0 1 17 0 39.78 2.266 4 4.2 -3 9 2 48.97 1.860 4 1.4

-1 11 1 29.66 3.012 4 9.2 3 1 1 39.79 2.265 4 2.0 -2 18 1 49.03 1.858 4 1.31 5 2 29.85 2.993 4 9.2 2 8 2 39.81 2.264 4 5.1 -3 13 1 49.04 1.857 4 1.51 11 1 29.98 2.980 4 11.6 2 14 0 39.87 2.261 4 3.3 1 13 3 49.42 1.844 4 2.50 8 2 30.16 2.963 4 12.4 1 3 3 40.00 2.254 4 4.9 2 18 1 49.46 1.843 4 1.5

-2 6 1 30.27 2.953 4 8.4 0 18 0 40.01 2.253 2 1.4 0 0 4 49.94 1.826 2 2.4

RSN

RU

B-17

504030201002 theta (°)

70

60

50

40

30

20

10

0

RTE RUB-3

CHEMICAL COMPOSITION: |(C7H13N)2| [Si24O48]C7H13N = (±)-exo-2-aminobicyclo[2.2.1]heptane



X-ray single crystal refinement, R1 = 0.099

REFERENCE: B. Marler, A. Grunewald-Luke and H. Gies,Microporous and Mesoporous Materials 26 49–59 (1998).


1 1 0 9.16 9.658 4 100.0 2 2 2 33.01 2.713 4 4.4 -5 3 2 41.93 2.154 4 0.240 0 1 12.20 7.253 2 2.8 -5 1 1 33.08 2.708 4 0.42 4 2 2 42.05 2.149 4 0.532 0 0 12.92 6.853 2 0.45 1 3 2 33.33 2.688 4 4.9 -6 0 2 42.09 2.147 2 0.330 2 0 13.01 6.806 2 17.4 5 1 0 33.34 2.687 4 0.19 2 0 3 42.17 2.143 2 1.3

-1 1 1 14.14 6.261 4 47.5 1 5 0 33.56 2.670 4 0.50 5 3 1 42.58 2.123 4 0.01-2 0 1 15.82 5.603 2 0.55 4 2 1 33.86 2.647 4 8.8 1 5 2 42.87 2.109 4 2.81 1 1 16.33 5.427 4 1.7 -3 3 2 34.41 2.607 4 0.04 -2 6 1 43.01 2.103 4 0.050 2 1 17.87 4.963 4 90.2 -4 2 2 34.63 2.591 4 0.86 -4 2 3 43.11 2.098 4 0.682 2 0 18.37 4.829 4 5.3 3 1 2 35.30 2.542 4 0.08 -3 3 3 43.35 2.087 4 0.502 0 1 19.60 4.529 2 34.6 -1 5 1 35.34 2.540 4 11.0 -3 5 2 43.74 2.069 4 0.013 1 0 20.51 4.331 4 29.7 0 4 2 36.20 2.481 4 0.38 6 0 1 43.99 2.058 2 2.5

-2 2 1 20.53 4.326 4 56.0 1 5 1 36.32 2.473 4 0.34 1 3 3 44.15 2.051 4 0.221 3 0 20.62 4.307 4 40.8 -2 4 2 36.70 2.449 4 0.57 -6 2 2 44.24 2.047 4 0.90

-3 1 1 21.70 4.095 4 40.3 -2 0 3 36.73 2.447 2 6.7 2 2 3 44.31 2.044 4 1.2-1 3 1 23.31 3.816 4 13.5 -1 1 3 36.97 2.431 4 0.51 2 6 1 44.67 2.028 4 0.262 2 1 23.60 3.770 4 0.20 0 0 3 37.19 2.418 2 0.80 -5 1 3 44.98 2.015 4 0.030 0 2 24.55 3.626 2 23.9 4 4 0 37.24 2.415 4 0.13 -2 4 3 45.67 1.987 4 1.21 3 1 24.73 3.601 4 0.07 -5 1 2 37.32 2.409 4 4.9 5 1 2 45.99 1.973 4 0.05

-1 1 2 24.92 3.573 4 5.5 -4 4 1 37.48 2.400 4 5.1 0 4 3 46.05 1.971 4 2.8-2 0 2 25.26 3.526 2 19.3 5 1 1 38.03 2.366 4 3.7 3 1 3 46.52 1.952 4 1.83 1 1 25.98 3.430 4 13.5 -5 3 1 38.13 2.360 4 0.17 -5 5 1 46.85 1.939 4 0.524 0 0 26.00 3.426 2 15.1 5 3 0 38.36 2.346 4 0.46 7 1 0 46.88 1.938 4 0.440 4 0 26.19 3.403 2 16.8 3 5 0 38.49 2.339 4 1.4 5 5 0 47.04 1.932 4 0.38

-4 0 1 26.33 3.385 2 6.0 -6 0 1 38.76 2.323 2 5.4 1 7 0 47.21 1.925 4 0.201 1 2 27.52 3.241 4 29.9 -3 1 3 38.88 2.316 4 1.3 -6 4 1 47.38 1.919 4 0.543 3 0 27.71 3.219 4 6.9 -2 2 3 39.12 2.302 4 1.3 -2 6 2 47.67 1.908 4 0.420 2 2 27.88 3.200 4 3.4 -3 5 1 39.18 2.299 4 1.9 6 4 0 47.97 1.897 4 0.03

-2 2 2 28.51 3.131 4 15.9 6 0 0 39.45 2.284 2 1.8 4 6 0 48.10 1.892 4 0.55-3 3 1 28.62 3.119 4 0.06 0 2 3 39.56 2.278 4 0.44 4 4 2 48.27 1.885 4 0.49-3 1 2 28.79 3.101 4 2.2 4 0 2 39.81 2.264 2 2.1 -4 6 1 48.29 1.884 4 1.50 4 1 28.98 3.081 4 10.8 3 3 2 40.11 2.248 4 0.02 -7 1 2 48.44 1.879 4 4.84 2 0 29.18 3.060 4 8.8 2 4 2 40.40 2.233 4 3.9 3 5 2 48.53 1.876 4 0.072 4 0 29.30 3.048 4 11.5 -4 0 3 40.92 2.205 2 0.60 -1 7 1 48.56 1.875 4 4.5

-4 2 1 29.47 3.031 4 10.1 -6 2 1 41.05 2.198 4 1.7 -6 0 3 48.76 1.868 2 0.052 0 2 30.21 2.959 2 1.7 4 4 1 41.11 2.196 4 0.08 -5 3 3 49.00 1.859 4 0.23

-2 4 1 30.74 2.909 4 17.5 -1 5 2 41.15 2.193 4 0.29 -2 0 4 49.21 1.852 2 1.14 0 1 31.12 2.874 2 6.2 -1 3 3 41.61 2.170 4 1.2 -4 4 3 49.23 1.851 4 0.23

-1 3 2 31.17 2.869 4 0.78 6 2 0 41.71 2.166 4 0.39 1 7 1 49.33 1.847 4 0.09-4 0 2 31.95 2.801 2 4.6 0 6 1 41.71 2.165 4 0.05 -1 5 3 49.83 1.830 4 0.843 3 1 32.04 2.793 4 2.9 -4 4 2 41.76 2.163 4 3.9 5 3 2 49.95 1.826 4 0.102 4 1 32.92 2.721 4 0.30 3 5 1 41.84 2.159 4 0.15

RT

ERU

B-3

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

RTH RUB-13

CHEMICAL COMPOSITION: |(C10H21N)1.7| [Si30.4B1.6O64](C10H21N)+ = 1,2,2,6,6,-pentamethylpiperidine




REFERENCE: S. Vortmann, B. Marler, H. Gies and P. Daniels,Microporous and Mesoporous Materials 4 111–121 (1995).


0 2 0 8.64 10.231 2 100.0 -3 1 2 31.94 2.802 4 0.36 -1 9 1 41.62 2.170 4 0.170 0 1 9.05 9.766 2 91.5 1 7 0 32.01 2.796 4 2.0 3 5 2 41.79 2.161 4 0.411 1 0 10.18 8.688 4 55.0 0 6 2 32.01 2.796 4 1.7 3 7 0 41.87 2.158 4 0.630 2 1 12.53 7.064 4 3.8 2 6 0 32.20 2.780 4 1.1 3 1 3 42.04 2.149 4 0.14

-1 1 1 12.92 6.854 4 5.2 0 4 3 32.60 2.746 4 1.5 1 9 1 42.12 2.145 4 0.171 1 1 14.33 6.180 4 1.0 -2 2 3 32.62 2.745 4 5.0 -3 7 1 42.19 2.142 4 0.221 3 0 15.94 5.559 4 1.6 2 4 2 32.70 2.738 4 0.41 -2 8 2 43.24 2.092 4 1.00 4 0 17.34 5.115 2 1.7 1 3 3 32.79 2.731 4 1.5 1 7 3 43.36 2.087 4 2.7

-1 3 1 17.83 4.975 4 12.0 -2 6 1 32.91 2.721 4 0.16 -2 4 4 43.38 2.086 4 0.840 0 2 18.17 4.883 2 0.68 -1 7 1 33.03 2.712 4 1.2 4 4 1 43.62 2.075 4 0.132 0 0 18.49 4.798 2 0.10 3 3 1 33.17 2.701 4 0.94 3 7 1 43.65 2.073 4 0.421 3 1 18.88 4.699 4 34.4 1 7 1 33.63 2.665 4 0.86 -3 1 4 44.24 2.047 4 0.320 4 1 19.59 4.531 4 7.0 2 6 1 34.12 2.628 4 2.4 2 2 4 44.41 2.040 4 0.10

-2 0 1 19.66 4.516 2 11.1 -3 3 2 34.32 2.613 4 0.57 -1 9 2 44.51 2.035 4 0.50-1 1 2 19.91 4.459 4 12.7 2 0 3 35.04 2.561 2 0.67 -3 7 2 44.58 2.033 4 0.160 2 2 20.15 4.407 4 8.0 3 1 2 35.54 2.526 4 0.99 4 2 2 44.85 2.021 4 0.852 2 0 20.45 4.344 4 6.1 3 5 0 35.63 2.520 4 0.35 2 8 2 45.16 2.008 4 0.09

-2 2 1 21.51 4.131 4 1.3 -1 5 3 35.64 2.519 4 1.7 1 5 4 45.16 2.008 4 0.122 0 1 21.55 4.123 2 0.30 -2 4 3 36.08 2.490 4 0.20 -4 2 3 45.18 2.007 4 0.412 2 1 23.26 3.824 4 9.1 -2 6 2 36.11 2.488 4 0.45 -4 6 1 46.34 1.959 4 0.27

-1 3 2 23.44 3.796 4 3.1 2 2 3 36.16 2.484 4 0.14 0 0 5 46.49 1.953 2 0.20-2 0 2 24.47 3.637 2 0.58 0 8 1 36.31 2.474 4 0.10 -1 1 5 46.59 1.949 4 0.59-1 5 1 24.97 3.567 4 0.15 -1 7 2 36.49 2.462 4 0.20 2 4 4 47.13 1.928 4 0.331 3 2 25.06 3.554 4 3.8 -1 1 4 37.20 2.417 4 1.2 3 7 2 47.36 1.920 4 0.090 4 2 25.21 3.532 4 12.5 1 5 3 37.32 2.409 4 0.84 -5 1 1 47.43 1.917 4 1.22 4 0 25.45 3.499 4 5.4 -3 1 3 37.35 2.408 4 0.11 3 5 3 47.58 1.911 4 0.081 5 1 25.74 3.461 4 12.5 4 0 0 37.49 2.399 2 0.34 5 1 0 47.59 1.911 4 0.10

-2 2 2 26.00 3.427 4 5.8 -4 0 1 37.57 2.394 2 1.3 -2 8 3 47.78 1.903 4 0.160 6 0 26.13 3.410 2 0.21 1 7 2 37.60 2.392 4 1.3 -4 4 3 47.87 1.900 4 0.50

-2 4 1 26.33 3.385 4 0.33 3 5 1 37.66 2.388 4 0.41 -2 6 4 47.93 1.898 4 0.180 0 3 27.40 3.255 2 0.91 3 3 2 37.72 2.385 4 0.22 4 6 1 48.15 1.890 4 1.82 0 2 27.52 3.242 2 0.92 0 2 4 37.88 2.375 4 0.17 0 10 2 48.22 1.887 4 0.140 6 1 27.71 3.220 4 1.2 0 6 3 38.22 2.355 4 0.84 -1 3 5 48.35 1.882 4 1.03 1 0 28.24 3.160 4 3.7 2 6 2 38.31 2.349 4 0.44 2 10 0 48.36 1.882 4 0.17

-1 1 3 28.26 3.158 4 2.7 4 2 0 38.55 2.335 4 0.11 -3 7 3 48.80 1.866 4 0.16-3 1 1 28.69 3.112 4 0.50 -1 3 4 39.31 2.292 4 0.24 1 1 5 48.84 1.865 4 0.170 2 3 28.78 3.102 4 1.7 -3 3 3 39.44 2.285 4 0.44 -2 10 1 48.87 1.864 4 0.15

-2 4 2 30.15 2.964 4 3.0 4 0 1 39.70 2.270 2 0.16 -2 2 5 49.12 1.855 4 0.521 1 3 30.30 2.950 4 0.27 0 8 2 39.78 2.266 4 0.13 3 9 0 49.17 1.853 4 0.711 5 2 30.63 2.918 4 1.00 -4 0 2 39.93 2.258 2 0.35 -5 3 1 49.17 1.853 4 0.353 1 1 30.71 2.912 4 2.4 2 8 0 39.94 2.257 4 0.24 -1 9 3 49.18 1.853 4 0.123 3 0 30.88 2.896 4 7.5 0 4 4 40.96 2.203 4 0.37 -5 1 2 49.18 1.852 4 0.12

-1 3 3 30.90 2.894 4 0.42 1 3 4 41.36 2.183 4 0.11 5 3 0 49.33 1.847 4 0.12-3 3 1 31.29 2.858 4 0.22 2 8 1 41.55 2.173 4 0.36 -3 5 4 49.58 1.838 4 0.49-2 0 3 31.39 2.850 2 1.1 4 4 0 41.58 2.172 4 0.36 1 11 0 49.94 1.826 4 0.82

RT

HRU

B-13

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

RUT RUB-10, SiO2 Framework

CHEMICAL COMPOSITION: [Si32B4O72]


CRYSTAL DATA: P1 21/a 1 (No. 14; unique axis b, cell choice 3)a = 13.112 A b = 12.903 A c = 12.407 Aα = 90◦ β = 113.50◦ γ = 90◦

DLS76 refinement.

REFERENCE: H. Gies and J. Rius,Z. Kristallogr. 210 475–480 (1995).


0 0 1 7.77 11.378 2 0.40 2 2 2 29.06 3.073 4 6.0 0 0 5 39.60 2.276 2 0.311 1 0 10.06 8.797 4 29.4 -3 3 1 29.15 3.064 4 0.76 4 1 2 39.72 2.269 4 0.460 1 1 10.37 8.534 4 0.60 4 0 0 29.72 3.006 2 1.9 2 0 4 40.11 2.248 2 0.42

-1 1 1 10.77 8.215 4 100.0 -3 3 2 29.93 2.985 4 2.8 -5 3 2 40.29 2.238 4 0.30-2 0 1 13.64 6.491 2 22.7 -1 3 3 30.04 2.975 4 3.8 1 5 2 40.30 2.238 4 0.370 2 0 13.73 6.451 2 25.1 -1 1 4 30.07 2.972 4 0.63 -2 4 4 40.41 2.232 4 0.781 1 1 14.41 6.146 4 62.3 3 3 0 30.48 2.932 4 4.0 -3 5 1 40.61 2.221 4 0.322 0 0 14.73 6.012 2 0.94 -4 2 1 30.86 2.898 4 4.3 -5 3 1 40.91 2.206 4 0.290 0 2 15.58 5.689 2 4.3 -3 1 4 31.23 2.864 4 4.7 4 4 0 41.04 2.199 4 0.510 2 1 15.79 5.612 4 0.95 0 0 4 31.45 2.844 2 4.5 3 2 3 41.19 2.191 4 0.26

-1 1 2 15.89 5.576 4 9.0 2 4 0 31.47 2.842 4 5.7 -3 5 2 41.20 2.191 4 0.81-2 0 2 16.64 5.326 2 6.7 0 4 2 31.89 2.806 4 2.6 -5 3 3 41.28 2.187 4 0.430 1 2 17.03 5.205 4 0.41 -2 2 4 32.10 2.788 4 0.37 -4 2 5 41.50 2.176 4 0.421 2 1 18.72 4.741 4 0.36 -1 2 4 32.43 2.761 4 0.29 5 1 1 41.97 2.153 4 0.262 0 1 19.25 4.610 2 0.77 -2 4 2 32.45 2.759 4 3.1 0 6 0 42.01 2.151 2 1.8

-2 2 1 19.40 4.576 4 0.50 2 0 3 32.55 2.751 2 1.7 0 4 4 42.36 2.133 4 0.73-1 2 2 19.89 4.464 4 0.81 -3 3 3 32.70 2.738 4 1.3 -6 0 1 42.57 2.124 2 0.552 2 0 20.19 4.398 4 13.3 -4 2 3 32.81 2.729 4 4.9 -3 5 3 43.34 2.088 4 0.490 2 2 20.82 4.267 4 11.1 2 1 3 33.30 2.690 4 0.27 1 1 5 43.91 2.062 4 2.0

-3 1 1 21.49 4.135 4 1.7 -4 0 4 33.65 2.663 2 0.29 -2 0 6 43.97 2.059 2 0.45-2 2 2 21.64 4.107 4 2.2 3 3 1 33.72 2.658 4 0.81 -6 2 3 44.14 2.051 4 0.291 3 0 21.95 4.050 4 9.2 4 0 1 33.74 2.657 2 5.9 -3 1 6 44.52 2.035 4 0.41

-2 0 3 22.17 4.009 2 13.0 0 2 4 34.46 2.603 4 1.1 -1 6 2 44.61 2.031 4 0.34-1 3 1 22.29 3.988 4 21.4 1 3 3 34.50 2.600 4 0.56 1 5 3 44.77 2.024 4 0.60-3 1 2 22.52 3.947 4 8.0 -4 3 2 34.62 2.591 4 0.32 -4 5 2 44.87 2.020 4 0.62-1 1 3 22.66 3.924 4 21.9 3 2 2 35.00 2.564 4 0.23 -6 2 1 44.94 2.017 4 0.943 1 0 23.24 3.828 4 22.4 1 1 4 35.90 2.501 4 0.34 6 0 0 45.25 2.004 2 0.250 0 3 23.46 3.793 2 4.5 -5 1 3 36.04 2.492 4 0.60 -1 1 6 45.92 1.976 4 0.522 2 1 23.72 3.751 4 0.43 -2 0 5 36.21 2.481 2 1.5 -6 2 4 45.98 1.974 4 0.241 3 1 24.30 3.663 4 2.1 0 4 3 36.57 2.457 4 1.8 -1 5 4 46.04 1.971 4 1.2

-1 3 2 25.22 3.531 4 1.3 4 2 1 36.58 2.456 4 0.24 3 1 4 46.46 1.954 4 1.52 0 2 25.49 3.495 2 10.7 -5 2 2 37.01 2.429 4 0.43 2 6 1 46.60 1.949 4 0.66

-3 2 2 25.54 3.488 4 0.46 -3 3 4 37.06 2.426 4 0.52 5 3 1 46.65 1.947 4 0.450 3 2 25.97 3.431 4 0.44 1 5 1 37.14 2.421 4 2.2 1 6 2 46.83 1.940 4 0.28

-3 1 3 26.03 3.424 4 0.82 -3 1 5 37.51 2.398 4 0.41 -6 0 5 46.97 1.934 2 0.84-2 2 3 26.17 3.405 4 2.8 -1 5 2 37.77 2.382 4 0.43 5 1 2 47.05 1.931 4 1.62 1 2 26.42 3.373 4 0.32 -1 1 5 37.84 2.378 4 0.78 4 2 3 47.61 1.910 4 0.49

-2 3 2 26.64 3.346 4 0.85 2 4 2 37.96 2.370 4 0.31 -5 3 5 47.63 1.909 4 0.230 2 3 27.28 3.270 4 0.72 5 1 0 38.06 2.364 4 0.51 3 5 2 47.99 1.896 4 0.48

-4 0 2 27.48 3.246 2 4.6 -5 1 4 38.83 2.319 4 2.7 1 3 5 48.44 1.879 4 0.46-4 0 1 27.50 3.243 2 0.87 -2 2 5 38.89 2.316 4 2.0 4 4 2 48.54 1.875 4 0.830 4 0 27.65 3.226 2 12.1 -4 0 5 38.97 2.311 2 0.84 -3 3 6 49.01 1.859 4 2.1

-4 1 2 28.35 3.148 4 0.30 -4 4 2 39.38 2.288 4 0.92 -6 2 5 49.17 1.853 4 0.271 3 2 28.72 3.108 4 0.51 -4 4 1 39.40 2.287 4 4.0 -7 1 2 49.43 1.844 4 0.43

-2 0 4 28.88 3.092 2 1.0 -3 2 5 39.48 2.282 4 0.34 2 6 2 49.78 1.832 4 0.26

RU

TRU

B-10,

SiO

2Fram

ework

504030201002 theta (°)

70

60

50

40

30

20

10

0

RWR RUB-24



CRYSTAL DATA: I 41/a md (No. 141; origin at centre 2/m )a = 7.6677 A b = 7.6677 A c = 27.0625 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: B. Marler, N. Stroter and H. Gies,Microporous and Mesoporous Materials, 83 201–211 (2005).


1 0 1 12.00 7.377 8 60.6 1 0 9 31.97 2.799 8 14.2 3 0 7 42.39 2.132 8 7.70 0 4 13.09 6.766 2 100.0 2 2 0 33.04 2.711 4 0.07 3 2 1 42.64 2.120 16 1.11 0 3 15.16 5.842 8 51.5 2 1 7 34.98 2.565 16 1.2 2 2 8 42.74 2.115 8 0.491 1 2 17.62 5.033 8 23.3 3 0 1 35.27 2.545 8 5.9 3 2 3 43.73 2.070 16 1.21 0 5 20.08 4.422 8 19.2 2 0 8 35.39 2.537 8 3.7 1 0 13 45.13 2.009 8 0.552 0 0 23.20 3.834 4 34.0 2 2 4 35.68 2.516 8 7.6 2 1 11 45.37 1.999 16 0.322 0 2 24.13 3.689 8 55.9 3 0 3 36.54 2.459 8 0.33 3 2 5 45.84 1.979 16 3.11 1 6 25.69 3.467 8 2.5 1 1 10 37.13 2.421 8 0.07 3 1 8 46.05 1.971 16 0.011 0 7 25.81 3.452 8 29.2 3 1 2 37.69 2.387 16 0.88 3 0 9 46.64 1.947 8 0.342 1 1 26.19 3.402 16 0.78 1 0 11 38.43 2.343 8 0.12 2 0 12 46.73 1.944 8 0.060 0 8 26.35 3.383 2 1.1 3 0 5 38.97 2.311 8 0.02 4 0 0 47.43 1.917 4 10.22 0 4 26.73 3.336 8 38.1 3 1 4 39.48 2.283 16 5.3 4 0 2 47.93 1.898 8 0.022 1 3 27.83 3.205 16 31.8 2 1 9 39.87 2.261 16 4.4 3 2 7 48.88 1.863 16 2.82 0 6 30.60 2.921 8 11.6 0 0 12 39.98 2.255 2 0.02 4 1 1 49.10 1.855 16 1.72 1 5 30.87 2.897 16 0.13 3 1 6 42.32 2.136 16 1.6 4 0 4 49.41 1.844 8 0.40

RW

RRU

B-24

504030201002 theta (°)

70

60

50

40

30

20

10

0

RWY UCR-20 – GaGeS-TAEA

CHEMICAL COMPOSITION: |(C6H18N4)16 S2H32| [Ga32Ge16S96];C6H18N4 = TAEA ≡ tris(2-aminoethyl)amine

REFINED COMPOSITION: |N20.56| [Ga48S96]

CRYSTAL DATA: I43m (No. 217)a = 20.9352 A b = 20.9352 A c = 20.9352 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: N. Zheng, X. Bu, B. Wang, P. Feng,Science 298 2366–2369 (2002).


1 1 0 5.97 14.803 12 100.0 6 4 2 31.99 2.798 48 1.8 9 4 1 42.76 2.115 48 0.372 0 0 8.45 10.468 6 25.7 7 3 0 32.57 2.749 24 0.11 8 5 3 42.76 2.115 48 0.102 1 1 10.35 8.547 24 50.8 6 5 1 33.71 2.659 48 1.2 7 7 0 42.76 2.115 12 0.242 2 0 11.96 7.402 12 4.8 7 3 2 33.71 2.659 48 0.22 10 0 0 43.21 2.094 6 0.073 1 0 13.37 6.620 24 3.7 8 0 0 34.27 2.617 6 0.13 8 6 0 43.21 2.094 24 0.872 2 2 14.66 6.043 8 20.7 8 1 1 34.81 2.577 24 0.02 10 1 1 43.67 2.073 24 0.233 2 1 15.84 5.595 48 3.8 5 5 4 34.81 2.577 24 2.8 7 7 2 43.67 2.073 24 1.34 0 0 16.94 5.234 6 0.15 7 4 1 34.81 2.577 48 0.03 10 2 0 44.11 2.053 24 0.114 1 1 17.98 4.934 24 0.43 8 2 0 35.35 2.539 24 0.24 8 6 2 44.11 2.053 48 0.313 3 0 17.98 4.934 12 0.05 6 4 4 35.35 2.539 24 0.68 9 4 3 44.56 2.033 48 0.044 2 0 18.96 4.681 24 0.06 6 5 3 35.89 2.502 48 2.0 9 5 0 44.56 2.033 24 0.023 3 2 19.89 4.463 24 2.7 6 6 0 36.41 2.467 12 0.21 6 6 6 45.00 2.014 8 0.184 2 2 20.79 4.273 24 2.2 8 2 2 36.41 2.467 24 0.07 10 2 2 45.00 2.014 24 0.944 3 1 21.64 4.106 48 2.9 7 5 0 36.93 2.434 24 0.15 7 6 5 45.44 1.996 48 0.035 2 1 23.27 3.822 48 1.0 7 4 3 36.93 2.434 48 1.3 10 3 1 45.44 1.996 48 0.275 3 0 24.80 3.590 24 0.08 8 3 1 36.93 2.434 48 0.19 9 5 2 45.44 1.996 48 0.404 3 3 24.80 3.590 24 6.1 6 6 2 37.45 2.401 24 4.9 8 5 5 46.30 1.961 24 0.064 4 2 25.53 3.489 24 1.9 7 5 2 37.96 2.370 48 0.31 8 7 1 46.30 1.961 48 2.06 0 0 25.53 3.489 6 0.07 8 4 0 38.46 2.341 24 0.05 7 7 4 46.30 1.961 24 0.065 3 2 26.24 3.396 48 1.6 8 3 3 38.96 2.312 24 0.01 9 6 1 47.16 1.927 48 0.896 1 1 26.24 3.396 24 0.28 9 1 0 38.96 2.312 24 0.01 10 3 3 47.16 1.927 24 0.056 2 0 26.93 3.310 24 0.07 8 4 2 39.45 2.284 48 0.03 10 4 2 47.58 1.911 48 0.245 4 1 27.61 3.230 48 0.74 6 5 5 39.93 2.258 24 0.41 9 5 4 48.00 1.895 48 0.036 2 2 28.28 3.156 24 3.0 9 2 1 39.93 2.258 48 0.48 8 7 3 48.00 1.895 48 0.646 3 1 28.93 3.087 48 0.57 7 6 1 39.93 2.258 48 0.88 11 1 0 48.00 1.895 24 0.084 4 4 29.56 3.022 8 11.4 6 6 4 40.42 2.232 24 0.49 9 6 3 48.83 1.865 48 0.355 5 0 30.19 2.961 12 0.28 8 5 1 40.89 2.207 48 0.41 11 2 1 48.83 1.865 48 0.125 4 3 30.19 2.961 48 6.4 9 3 0 40.89 2.207 24 0.03 10 5 1 48.83 1.865 48 0.396 4 0 30.80 2.903 24 0.02 7 5 4 40.89 2.207 48 0.60 8 8 0 49.24 1.850 12 5.66 3 3 31.40 2.849 24 1.6 9 3 2 41.83 2.159 48 0.16 11 3 0 49.65 1.836 24 0.047 2 1 31.40 2.849 48 0.80 7 6 3 41.83 2.159 48 0.24 9 7 0 49.65 1.836 24 0.625 5 2 31.40 2.849 24 0.65 8 4 4 42.30 2.137 24 0.14

RW

YU

CR-20

–G

aGeS

-TAEA

504030201002 theta (°)

60

50

40

30

20

10

0

SAO STA-1, Magnesium Aluminophosphate

CHEMICAL COMPOSITION: |((CH2)7(C7H13N)2)2.74(H2O)6.16| [Mg5.04Al22.96P28O112]((CH2)7(C7H13N)2)

+ = diquinuclidinium template

REFINED COMPOSITION: [P28Al28O112]

CRYSTAL DATA: P4n2 (No. 118)a = 13.620 A b = 13.620 A c = 21.649 Aα = 90◦ β = 90◦ γ = 90◦

X-ray single crystal refinement, R = 0.059, Rw = 0.076; At T = 200K.

REFERENCE: G. W. Noble, P. A. Wright, P. Lightfoot, R. E. Morris, K. J. Hudson,A. Kvick and H. Graafsma, Angew. Chem., Int. Ed. 36 81–83 (1997).


1 0 1 7.67 11.528 8 100.0 4 1 3 29.74 3.004 16 2.1 5 3 3 40.59 2.222 16 0.020 0 2 8.17 10.825 2 6.3 3 3 3 30.48 2.933 8 0.02 6 0 2 40.61 2.222 8 0.021 1 0 9.18 9.631 4 0.61 4 2 2 30.49 2.932 16 0.90 4 4 4 41.03 2.200 8 0.251 1 1 10.05 8.799 8 0.03 2 2 6 30.97 2.888 8 0.10 5 2 5 41.34 2.184 16 0.311 1 2 12.30 7.195 8 0.76 4 0 4 31.03 2.882 8 2.9 6 2 0 41.95 2.154 8 0.062 0 0 13.00 6.810 4 3.7 3 2 5 31.43 2.846 16 1.0 5 1 6 42.09 2.147 16 0.151 0 3 13.89 6.377 8 9.2 4 1 4 31.73 2.820 16 0.01 5 3 4 42.13 2.145 16 0.052 1 1 15.11 5.863 16 1.9 4 2 3 31.89 2.806 16 0.01 6 1 3 42.26 2.139 16 0.042 0 2 15.37 5.764 8 0.60 3 1 6 32.37 2.766 16 0.06 3 0 9 42.53 2.126 8 0.110 0 4 16.38 5.412 2 0.08 3 3 4 32.43 2.761 8 0.04 4 0 8 42.68 2.119 8 0.102 2 0 18.42 4.815 4 0.25 2 1 7 32.47 2.758 16 0.17 5 4 1 42.71 2.117 16 0.051 1 4 18.81 4.718 8 2.8 4 3 0 32.88 2.724 8 0.02 1 1 10 42.81 2.112 8 0.182 2 1 18.88 4.701 8 0.01 0 0 8 33.10 2.706 2 0.04 6 2 2 42.81 2.112 16 0.042 1 3 19.07 4.655 16 1.3 4 3 1 33.15 2.703 16 0.23 6 0 4 43.22 2.093 8 0.203 0 1 19.98 4.443 8 9.5 5 0 1 33.15 2.703 8 0.02 5 2 6 43.71 2.071 16 0.022 2 2 20.18 4.400 8 1.1 5 1 0 33.55 2.671 8 0.05 3 3 8 43.75 2.069 8 0.123 1 0 20.62 4.307 8 0.44 4 2 4 33.77 2.654 16 0.20 2 0 10 43.88 2.063 8 0.102 0 4 20.97 4.237 8 4.0 4 1 5 34.14 2.626 16 1.5 4 3 7 44.31 2.044 16 0.023 1 1 21.03 4.224 16 0.45 3 2 6 34.37 2.609 16 0.01 5 0 7 44.31 2.044 8 0.111 0 5 21.54 4.126 8 2.1 1 1 8 34.42 2.605 8 0.64 5 4 3 44.40 2.040 16 0.162 1 4 21.97 4.046 16 0.52 2 2 7 34.46 2.602 8 0.01 3 2 9 44.66 2.029 16 0.012 2 3 22.19 4.005 8 0.17 5 1 2 34.59 2.593 16 0.56 4 2 8 44.80 2.023 16 0.203 1 2 22.21 4.002 16 0.20 3 0 7 35.11 2.556 8 0.42 6 3 1 44.84 2.021 16 0.091 1 5 22.51 3.949 8 0.25 4 3 3 35.21 2.548 16 0.22 4 4 6 45.28 2.003 8 0.103 0 3 23.15 3.843 8 0.21 5 0 3 35.21 2.548 8 1.4 6 2 4 45.32 2.001 16 0.033 2 0 23.55 3.778 8 0.17 2 0 8 35.70 2.515 8 0.14 6 1 5 45.61 1.989 16 0.063 2 1 23.91 3.721 16 0.51 5 2 1 35.74 2.512 16 0.27 5 3 6 46.30 1.961 16 0.083 1 3 24.06 3.698 16 0.02 4 0 6 36.27 2.476 8 0.22 5 2 7 46.38 1.958 16 0.100 0 6 24.67 3.608 2 0.05 2 1 8 36.33 2.473 16 0.02 6 3 3 46.46 1.954 16 0.012 2 4 24.75 3.598 8 0.33 4 4 0 37.35 2.408 4 0.22 4 1 9 46.71 1.945 16 0.083 2 2 24.97 3.567 16 0.12 5 1 4 37.55 2.395 16 0.04 7 0 1 46.88 1.938 8 0.082 1 5 25.24 3.529 16 1.9 5 2 3 37.69 2.387 16 0.21 3 1 10 46.97 1.934 16 0.034 0 0 26.17 3.405 4 4.7 1 0 9 37.98 2.369 8 0.10 6 0 6 47.31 1.921 8 0.063 1 4 26.45 3.370 16 0.83 2 2 8 38.15 2.359 8 0.19 5 4 5 47.63 1.909 16 0.013 2 3 26.63 3.347 16 0.21 4 4 2 38.30 2.350 8 0.12 5 1 8 47.85 1.901 16 0.414 1 1 27.31 3.266 16 1.0 4 2 6 38.69 2.327 16 0.11 5 5 2 47.97 1.896 8 0.054 0 2 27.46 3.248 8 0.46 5 3 1 38.77 2.322 16 0.02 7 1 2 47.97 1.896 16 0.192 0 6 27.98 3.188 8 1.4 4 3 5 39.07 2.306 16 0.15 7 0 3 48.45 1.879 8 0.483 3 1 28.10 3.176 8 0.02 5 0 5 39.07 2.306 8 0.23 2 1 11 48.62 1.873 16 0.094 1 2 28.24 3.159 16 0.02 3 1 8 39.32 2.291 16 0.09 7 2 1 48.86 1.864 16 0.073 0 5 28.49 3.133 8 0.06 5 3 2 39.47 2.283 16 0.04 7 1 3 48.94 1.861 16 0.023 2 4 28.82 3.098 16 0.02 6 0 0 39.71 2.270 4 0.26 6 4 2 48.95 1.861 16 0.023 3 2 29.01 3.078 8 0.16 4 1 7 39.93 2.258 16 0.05 7 2 2 49.44 1.844 16 0.014 2 0 29.33 3.046 8 0.03 2 1 9 40.31 2.237 16 0.08 6 3 5 49.59 1.838 16 0.041 0 7 29.62 3.016 8 0.90 6 1 1 40.50 2.227 16 0.04 4 0 10 49.92 1.827 8 0.09

SAO

STA-1,

Magnesium

Alum

inophosphate

504030201002 theta (°)

10

8

6

4

2

0

SAS STA-6

CHEMICAL COMPOSITION: |(C14H34N4)2+1.5(H2O)2.5| [Mg3Al13P16O64]

C14H32N4 = 1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane

REFINED COMPOSITION: |C19.44N5.04| [Mg2.4Al13.6P16O64]

CRYSTAL DATA: P 4/m nc (No. 128)a = 14.322 A b = 14.322 A c = 10.424 Aα = 90◦ β = 90◦ γ = 90◦

X-ray synchrotron single crystal refinement, RF = 0.094, wR2 = 0.313

REFERENCE: V. Patinec, P. A. Wright, P. Lightfoot, R. A. Aitken and P. A. Cox,J. Chem. Soc., Dalton Trans. 22 3909–3911 (1999).


1 1 0 8.73 10.127 4 100.0 5 1 0 31.86 2.809 8 2.5 3 2 4 41.44 2.179 16 0.061 0 1 10.50 8.428 8 38.8 5 0 1 32.41 2.762 8 6.1 6 0 2 41.61 2.170 8 0.042 0 0 12.36 7.161 4 4.5 4 3 1 32.41 2.762 16 2.4 6 1 2 42.11 2.146 16 0.032 1 0 13.83 6.405 8 0.05 3 1 3 32.48 2.757 16 0.19 6 3 0 42.33 2.135 8 0.042 1 1 16.24 5.457 16 46.7 4 2 2 32.82 2.729 16 15.9 5 2 3 42.82 2.112 16 0.350 0 2 17.01 5.212 2 0.06 5 1 1 33.03 2.712 16 0.12 4 0 4 42.92 2.107 8 0.112 2 0 17.51 5.064 4 0.62 5 2 0 33.70 2.660 8 0.04 6 3 1 43.26 2.092 16 1.11 1 2 19.15 4.634 8 26.3 3 2 3 34.29 2.615 16 0.95 6 2 2 43.58 2.077 16 0.063 1 0 19.60 4.529 8 33.8 0 0 4 34.41 2.606 2 5.9 1 0 5 43.88 2.063 8 0.593 0 1 20.46 4.340 8 1.9 5 2 1 34.81 2.577 16 1.2 3 3 4 43.89 2.063 8 1.92 0 2 21.08 4.214 8 35.0 4 4 0 35.45 2.532 4 0.04 5 5 0 44.74 2.025 4 0.103 1 1 21.39 4.154 16 1.7 1 1 4 35.57 2.524 8 1.4 7 1 0 44.74 2.025 8 0.502 1 2 21.99 4.043 16 3.8 5 1 2 36.33 2.473 16 5.8 7 0 1 45.16 2.008 8 1.93 2 0 22.38 3.972 8 2.2 4 1 3 36.58 2.457 16 0.15 5 3 3 45.21 2.006 16 0.013 2 1 23.97 3.712 16 6.6 5 3 0 36.58 2.456 8 0.06 7 1 1 45.63 1.988 16 0.012 2 2 24.51 3.632 8 4.3 2 0 4 36.70 2.449 8 0.18 6 4 0 45.68 1.986 8 0.054 0 0 24.87 3.580 4 21.0 2 1 4 37.25 2.414 16 0.01 2 1 5 45.77 1.982 16 0.564 1 0 25.65 3.474 8 0.07 6 0 0 37.68 2.387 4 0.04 6 3 2 45.93 1.976 16 0.013 1 2 26.06 3.419 16 7.0 4 2 3 38.22 2.355 16 0.05 6 4 1 46.55 1.951 16 0.041 0 3 26.39 3.377 8 5.6 2 2 4 38.86 2.317 8 0.79 6 1 3 46.59 1.949 16 1.13 3 0 26.40 3.376 4 3.5 6 1 1 39.23 2.297 16 0.13 7 2 1 47.00 1.933 16 0.614 1 1 27.06 3.295 16 15.0 4 4 2 39.57 2.277 8 3.9 3 0 5 47.59 1.911 8 0.884 2 0 27.86 3.202 8 2.8 6 2 0 39.81 2.265 8 1.0 5 1 4 47.60 1.910 16 2.73 2 2 28.25 3.159 16 0.13 3 1 4 39.91 2.259 16 0.09 7 1 2 48.20 1.888 16 1.84 2 1 29.17 3.061 16 0.01 5 4 0 40.32 2.237 8 0.03 5 5 2 48.20 1.888 8 3.32 1 3 29.24 3.054 16 7.7 5 0 3 40.83 2.210 8 0.12 5 4 3 48.40 1.881 16 0.584 0 2 30.28 2.951 8 11.5 5 4 1 41.28 2.187 16 0.25 7 3 0 48.40 1.881 8 0.143 3 2 31.58 2.833 8 0.02 5 1 3 41.33 2.184 16 0.02 6 4 2 49.09 1.856 16 0.23

SAS

STA-6

504030201002 theta (°)

504846444240383634323028262422201816141210

86420

SAT STA-2

CHEMICAL COMPOSITION: |((CH2)4(C7H13N)2)3(H2O)22.5| [Mg5.4Al30.6P36O144]((CH2)4(C7H13N)2)

+ = diquinuclidinium template

REFINED COMPOSITION: |(C22H50N2)3| [Al36P36O144]


X-ray single crystal refinement at 200 K. RF = 0.0757

REFERENCE: G. W. Noble, P. A. Wright and A. Kvick,J. Chem. Soc., Dalton Trans. 4485–4490 (1997).


1 0 1 8.52 10.382 6 5.4 4 0 1 32.63 2.744 6 21.2 0 3 12 42.85 2.110 6 2.30 0 3 8.57 10.313 2 1.2 3 1 5 32.67 2.741 6 1.7 3 0 12 42.85 2.110 6 1.90 1 2 9.85 8.976 6 9.7 4 -1 5 32.67 2.741 6 4.6 2 4 1 43.55 2.078 6 0.051 1 0 13.92 6.363 6 22.8 0 1 11 32.86 2.725 6 3.0 6 -3 3 43.56 2.078 6 0.391 0 4 13.99 6.331 6 12.4 0 4 2 33.02 2.713 6 2.8 3 3 3 43.56 2.078 6 0.370 2 1 16.34 5.425 6 100.0 2 2 6 33.08 2.708 6 0.10 5 0 5 43.59 2.076 6 1.21 1 3 16.37 5.415 6 2.4 0 2 10 33.21 2.698 6 0.03 4 -1 11 43.74 2.070 6 0.142 -1 3 16.37 5.415 6 2.2 4 0 4 34.56 2.596 6 13.3 2 1 13 43.81 2.066 6 1.30 1 5 16.43 5.396 6 31.9 0 0 12 34.80 2.578 2 5.7 3 -1 13 43.81 2.066 6 0.252 0 2 17.08 5.191 6 3.9 3 2 1 35.63 2.520 6 0.07 4 2 2 43.86 2.064 6 0.030 0 6 17.20 5.156 2 5.8 5 -2 1 35.63 2.520 6 1.6 0 0 15 43.89 2.063 2 6.80 2 4 19.78 4.488 6 11.5 0 4 5 35.67 2.517 6 4.4 4 0 10 44.01 2.058 6 0.042 1 1 21.52 4.128 6 75.3 4 -3 7 35.71 2.514 6 0.30 2 0 14 44.15 2.051 6 0.653 -1 1 21.52 4.128 6 35.7 1 3 7 35.71 2.514 6 0.98 6 -4 4 45.08 2.011 6 0.142 0 5 21.59 4.115 6 12.1 3 0 9 35.77 2.510 6 0.05 2 4 4 45.08 2.011 6 0.301 0 7 21.66 4.102 6 47.6 0 3 9 35.77 2.510 6 0.23 2 2 12 45.27 2.003 6 0.373 -2 2 22.10 4.022 6 4.5 2 0 11 35.84 2.505 6 0.52 5 1 1 45.94 1.975 6 2.02 -1 6 22.19 4.006 6 6.2 3 -1 10 36.16 2.484 6 0.14 6 -1 1 45.94 1.975 6 1.61 1 6 22.19 4.006 6 0.08 2 1 10 36.16 2.484 6 0.05 4 2 5 45.98 1.974 6 0.440 3 0 24.23 3.674 6 44.5 1 4 0 37.39 2.405 6 3.2 6 -2 5 45.98 1.974 6 0.162 1 4 24.27 3.668 6 8.0 4 1 0 37.39 2.405 6 1.4 0 5 7 46.01 1.973 6 1.23 -1 4 24.27 3.668 6 5.2 3 2 4 37.42 2.403 6 0.20 5 -1 9 46.06 1.971 6 0.670 1 8 24.39 3.649 6 33.6 5 -2 4 37.42 2.403 6 0.53 1 4 9 46.06 1.971 6 0.113 0 3 25.74 3.461 6 0.77 4 -1 8 37.50 2.398 6 0.34 4 1 9 46.06 1.971 6 0.173 -2 5 25.78 3.456 6 2.1 2 3 5 38.46 2.341 6 0.38 0 4 11 46.12 1.968 6 2.11 2 5 25.78 3.456 6 17.3 5 -3 5 38.46 2.341 6 1.4 2 -1 15 46.27 1.962 6 0.220 2 7 25.84 3.448 6 13.4 4 0 7 38.50 2.338 6 4.1 1 1 15 46.27 1.962 6 0.560 0 9 25.92 3.438 2 1.5 4 -2 9 38.56 2.335 6 0.05 6 -3 6 46.28 1.962 6 0.352 2 0 28.05 3.181 6 13.4 3 -2 11 38.62 2.331 6 0.66 3 2 10 46.38 1.958 6 0.442 0 8 28.19 3.166 6 6.3 1 2 11 38.62 2.331 6 0.94 5 -2 10 46.38 1.958 6 0.161 3 1 29.36 3.042 6 3.0 1 0 13 38.71 2.326 6 0.14 3 -2 14 46.52 1.952 6 0.894 -3 1 29.36 3.042 6 0.32 0 4 8 40.19 2.244 6 2.6 1 2 14 46.52 1.952 6 0.824 -2 3 29.38 3.040 6 0.20 3 2 7 41.13 2.195 6 0.22 6 -1 4 47.41 1.918 6 0.452 1 7 29.46 3.031 6 11.4 0 2 13 41.32 2.185 6 0.35 5 1 4 47.41 1.918 6 0.923 -1 7 29.46 3.031 6 12.1 5 0 2 41.38 2.182 6 2.8 5 0 8 47.48 1.915 6 1.22 -1 9 29.53 3.024 6 0.26 4 1 6 41.43 2.180 6 0.19 1 0 16 47.75 1.905 6 0.441 1 9 29.53 3.024 6 1.4 1 4 6 41.43 2.180 6 0.55 1 5 5 48.27 1.885 6 1.64 -1 2 29.79 2.999 6 2.6 5 -4 6 41.43 2.180 6 0.53 6 -5 5 48.27 1.885 6 0.273 1 2 29.79 2.999 6 0.12 5 -1 6 41.43 2.180 6 0.30 2 4 7 48.31 1.884 6 0.213 0 6 29.86 2.992 6 0.08 4 -3 10 41.53 2.174 6 0.03 6 -4 7 48.31 1.884 6 0.090 3 6 29.86 2.992 6 0.06 0 1 14 41.68 2.167 6 0.45 2 3 11 48.41 1.880 6 0.044 -3 4 31.47 2.843 6 1.4 3 3 0 42.63 2.121 6 2.0 1 3 13 48.48 1.878 6 0.161 3 4 31.47 2.843 6 3.8 0 5 4 42.65 2.120 6 0.21 0 6 0 49.63 1.837 6 0.261 2 8 31.57 2.834 6 7.0 5 -3 8 42.73 2.116 6 0.11 4 2 8 49.72 1.834 6 0.033 -2 8 31.57 2.834 6 4.0 2 3 8 42.73 2.116 6 0.54 6 -2 8 49.72 1.834 6 0.11

SAT

STA-2

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

SAV Magnesium STA-7

CHEMICAL COMPOSITION: |(C18H42N6)1.96(H2O)7| [Mg4.8Al19.2P24O96]C18H42N6=1,4,7,10,13,16-hexamethyl-1,4,7,10,13,16-hexaazacyclooctadecane

REFINED COMPOSITION: [Mg4.8Al19.2P24O96]

CRYSTAL DATA: P 4/n (No. 85; origin at centre 1)a = 18.7732 A b = 18.7732 A c = 9.4537 Aα = 90◦ β = 90◦ γ = 90◦

X-ray synchrotron single crystal refinement, R = 0.0539, Rw = 0.1422

REFERENCE: P. A. Wright, M. J. Maple, A. M. Z. Slawin, V. Patinec, R. A. Aitken,S. Welsh and P. A. Cox, J. Chem. Soc., Dalton Trans. 1243–1248 (2000).


1 1 0 6.66 13.275 4 11.9 3 3 2 27.61 3.230 8 0.95 3 6 2 37.34 2.408 8 0.190 0 1 9.35 9.454 2 38.2 3 5 0 27.71 3.220 4 1.8 8 0 0 38.36 2.347 4 0.572 0 0 9.42 9.387 4 100.0 5 3 0 27.71 3.220 4 1.8 1 0 4 38.39 2.345 8 0.711 0 1 10.48 8.444 8 25.6 1 0 3 28.73 3.108 8 0.32 7 0 2 38.60 2.333 8 0.691 1 1 11.49 7.701 8 0.73 1 1 3 29.12 3.066 8 0.88 1 2 4 39.61 2.275 8 0.172 0 1 13.29 6.661 8 5.0 3 5 1 29.30 3.048 8 1.9 8 1 1 39.87 2.261 8 0.252 2 0 13.34 6.637 4 2.6 5 3 1 29.30 3.048 8 1.5 1 8 1 39.87 2.261 8 0.161 3 0 14.92 5.937 4 5.8 2 0 3 29.91 2.987 8 2.8 6 0 3 40.63 2.220 8 0.293 1 0 14.92 5.937 4 4.5 6 0 1 30.08 2.970 8 2.8 2 8 1 40.77 2.213 8 0.252 2 1 16.32 5.432 8 27.8 2 6 0 30.11 2.968 4 0.95 8 2 1 40.77 2.213 8 0.193 0 1 16.99 5.218 8 17.1 6 2 0 30.11 2.968 4 1.3 6 6 0 40.78 2.212 4 0.301 3 1 17.64 5.028 8 0.22 2 1 3 30.29 2.950 8 0.37 1 6 3 40.93 2.205 8 0.190 0 2 18.77 4.727 2 2.1 1 2 3 30.29 2.950 8 0.91 6 2 3 41.81 2.161 8 0.174 0 0 18.91 4.693 4 2.2 5 0 2 30.40 2.940 8 2.8 2 6 3 41.81 2.161 8 0.271 0 2 19.36 4.584 8 2.0 4 3 2 30.40 2.940 8 0.91 6 6 1 41.94 2.154 8 0.352 3 1 19.46 4.561 8 2.3 3 4 2 30.40 2.940 8 0.84 6 5 2 42.18 2.143 8 0.193 2 1 19.46 4.561 8 2.7 6 1 1 30.47 2.934 8 0.57 5 6 2 42.18 2.143 8 0.291 1 2 19.94 4.453 8 1.3 1 6 1 30.47 2.934 8 1.2 3 8 1 42.23 2.140 8 0.223 3 0 20.07 4.425 4 8.2 2 2 3 31.42 2.847 8 3.3 8 3 1 42.23 2.140 8 0.392 0 2 21.04 4.222 8 3.2 2 6 1 31.59 2.832 8 2.8 3 3 4 43.41 2.085 8 0.214 0 1 21.13 4.204 8 2.8 6 2 1 31.59 2.832 8 3.3 2 4 4 43.96 2.059 8 0.154 2 0 21.16 4.198 4 0.61 3 0 3 31.79 2.815 8 0.79 4 2 4 43.96 2.059 8 0.282 4 0 21.16 4.198 4 4.7 5 2 2 31.90 2.806 8 0.28 2 8 2 44.15 2.051 8 0.161 2 2 21.57 4.119 8 3.1 2 5 2 31.90 2.806 8 0.85 4 8 1 44.20 2.049 8 0.171 4 1 21.66 4.102 8 1.5 4 5 1 31.96 2.800 8 0.39 5 5 3 44.63 2.030 8 0.184 1 1 21.66 4.102 8 0.41 5 4 1 31.96 2.800 8 0.87 7 1 3 44.63 2.030 8 0.163 3 1 22.18 4.008 8 4.0 1 3 3 32.16 2.783 8 1.1 1 7 3 44.63 2.030 8 0.192 2 2 23.10 3.850 8 0.58 3 1 3 32.16 2.783 8 1.0 3 7 3 46.79 1.942 8 0.202 4 1 23.18 3.837 8 2.7 4 4 2 32.98 2.716 8 0.16 6 5 3 47.58 1.911 8 0.164 2 1 23.18 3.837 8 0.39 6 3 1 33.39 2.683 8 1.1 5 6 3 47.58 1.911 8 0.183 0 2 23.59 3.772 8 7.9 3 6 1 33.39 2.683 8 0.78 3 5 4 47.74 1.905 8 0.173 1 2 24.07 3.698 8 0.50 3 5 2 33.68 2.661 8 0.94 1 0 5 48.38 1.881 8 0.321 5 0 24.17 3.682 4 0.40 5 3 2 33.68 2.661 8 0.93 10 0 0 48.49 1.877 4 1.65 1 0 24.17 3.682 4 0.27 5 5 0 33.76 2.655 4 0.49 6 8 0 48.49 1.877 4 0.172 3 2 25.45 3.500 8 1.8 4 0 3 34.27 2.616 8 0.41 1 6 4 48.51 1.876 8 0.353 2 2 25.45 3.500 8 2.5 6 0 2 34.37 2.609 8 0.19 1 1 5 48.64 1.872 8 0.183 4 1 25.53 3.490 8 0.29 4 6 0 34.45 2.603 4 0.29 6 7 2 48.69 1.870 8 0.194 3 1 25.53 3.490 8 0.62 1 6 2 34.71 2.584 8 0.22 7 6 2 48.69 1.870 8 0.225 0 1 25.53 3.490 8 1.8 6 1 2 34.71 2.584 8 0.42 2 0 5 49.15 1.854 8 0.225 1 1 25.97 3.431 8 0.42 3 3 3 34.95 2.567 8 0.75 2 8 3 49.38 1.845 8 0.321 5 1 25.97 3.431 8 0.61 5 5 1 35.11 2.556 8 0.34 8 6 1 49.50 1.841 8 0.244 0 2 26.77 3.330 8 0.42 7 2 1 36.10 2.488 8 0.16 6 8 1 49.50 1.841 8 0.364 4 0 26.86 3.319 4 0.34 3 7 0 36.45 2.465 4 0.26 10 0 1 49.50 1.841 8 0.412 5 1 27.26 3.271 8 2.2 5 0 3 37.25 2.414 8 0.31 10 2 0 49.51 1.841 4 0.195 2 1 27.26 3.271 8 2.0 6 3 2 37.34 2.408 8 0.25 2 10 0 49.51 1.841 4 0.20

SAV

Magnesium

STA-7

504030201002 theta (°)

30

25

20

15

10

5

0

SBE UCSB–8Co

CHEMICAL COMPOSITION: |(H3N(CH2)9NH3)2+16 | [Al32Co32P64O256]

H2N(CH2)9NH2 = 1,9 diaminononane

REFINED COMPOSITION: |C32N16| [Al32Co32P64O256]

CRYSTAL DATA: P 4/n nc (No. 126; origin at centre 1)a = 19.0654 A b = 19.0654 A c = 27.594 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: X. Bu, P. Feng and G. D. Stucky,Science 278 2080–2085 (1997).


1 0 1 5.63 15.686 8 100.0 3 0 7 26.61 3.350 8 4.9 1 0 11 36.11 2.487 8 0.230 0 2 6.41 13.797 2 81.3 5 2 3 26.99 3.304 16 0.12 6 4 4 36.39 2.469 16 0.141 1 0 6.56 13.481 4 3.8 5 1 4 27.13 3.287 16 2.9 7 3 2 36.48 2.463 16 0.171 1 2 9.17 9.642 8 14.7 4 1 6 27.35 3.261 16 0.18 6 1 7 36.63 2.453 16 0.482 0 0 9.28 9.533 4 15.9 5 3 2 28.04 3.182 16 0.49 2 1 11 37.37 2.407 16 0.151 0 3 10.68 8.284 8 0.40 6 0 0 28.08 3.178 4 2.1 5 0 9 37.64 2.389 8 0.362 1 1 10.86 8.146 16 18.5 3 2 7 28.24 3.160 16 2.1 5 4 7 37.87 2.376 16 0.290 0 4 12.83 6.898 2 0.97 4 3 5 28.45 3.137 16 0.71 6 5 3 38.14 2.359 16 0.712 2 0 13.13 6.741 4 21.4 5 0 5 28.45 3.137 8 1.2 8 1 1 38.20 2.356 16 0.282 1 3 14.16 6.253 16 0.13 4 2 6 28.55 3.126 16 0.32 5 5 6 38.71 2.326 8 0.483 0 1 14.30 6.193 8 0.90 6 0 2 28.83 3.097 8 0.31 5 2 9 38.86 2.318 16 0.131 1 4 14.42 6.141 8 2.1 4 4 4 29.50 3.028 8 0.12 8 2 0 38.95 2.312 8 0.112 2 2 14.63 6.056 8 1.7 1 0 9 29.51 3.027 8 1.1 6 3 7 39.07 2.305 16 1.02 0 4 15.86 5.589 8 0.63 6 2 0 29.63 3.015 8 6.6 8 1 3 39.34 2.290 16 0.153 1 2 16.04 5.525 16 3.9 6 1 3 30.12 2.967 16 0.34 6 1 9 41.19 2.192 16 0.321 0 5 16.72 5.301 8 0.25 5 4 1 30.19 2.960 16 1.3 3 1 12 42.05 2.149 16 0.133 0 3 16.96 5.229 8 0.56 5 3 4 30.25 2.955 16 1.3 8 4 0 42.40 2.132 8 0.183 2 1 17.07 5.193 16 1.6 6 2 2 30.35 2.945 16 0.79 7 1 8 42.56 2.124 16 0.262 2 4 18.40 4.821 8 0.94 5 1 6 30.82 2.901 16 1.3 8 0 6 42.73 2.116 8 0.124 0 0 18.62 4.766 4 4.2 6 0 4 30.98 2.886 8 0.20 1 0 13 42.87 2.110 8 0.342 1 5 19.16 4.633 16 1.6 2 1 9 31.00 2.885 16 0.96 5 3 10 42.88 2.109 16 0.180 0 6 19.30 4.599 2 0.66 5 4 3 31.58 2.833 16 0.25 6 5 7 43.61 2.075 16 0.404 1 1 19.46 4.560 16 2.0 6 3 1 31.65 2.827 16 0.33 2 1 13 43.96 2.060 16 0.543 1 4 19.55 4.540 16 4.6 5 3 5 31.81 2.813 16 0.23 6 2 10 44.51 2.035 16 0.274 0 2 19.71 4.505 8 2.5 0 0 10 32.45 2.759 2 0.86 8 1 7 44.69 2.028 16 0.111 1 6 20.40 4.353 8 4.7 4 3 7 32.67 2.741 16 0.52 7 6 3 44.93 2.018 16 0.304 2 0 20.84 4.263 8 3.6 5 0 7 32.67 2.741 8 2.5 9 1 4 45.02 2.014 16 0.253 0 5 21.32 4.167 8 3.0 6 1 5 32.86 2.725 16 0.96 3 0 13 45.03 2.013 8 0.114 1 3 21.51 4.131 16 1.8 7 0 1 33.05 2.710 8 0.13 7 5 6 45.43 1.997 16 0.214 0 4 22.68 3.921 8 0.43 1 1 10 33.14 2.703 8 0.34 6 1 11 46.36 1.959 16 0.131 0 7 23.04 3.860 8 0.48 5 5 0 33.23 2.696 4 0.27 5 5 10 47.12 1.928 8 0.213 2 5 23.30 3.818 16 0.43 7 1 0 33.23 2.696 8 0.26 7 7 0 47.19 1.926 4 0.372 2 6 23.42 3.799 8 0.40 5 3 6 33.63 2.665 16 1.3 6 4 10 47.63 1.909 16 0.225 0 1 23.55 3.777 8 1.4 6 4 0 33.90 2.644 8 0.39 10 0 0 47.70 1.907 4 0.603 3 4 23.63 3.765 8 0.11 5 2 7 34.04 2.634 16 0.42 10 1 1 48.07 1.893 16 0.395 1 0 23.80 3.739 8 1.7 5 4 5 34.22 2.620 16 0.59 9 3 5 48.19 1.888 16 0.135 1 1 24.02 3.705 16 0.12 7 0 3 34.34 2.612 8 0.88 3 1 14 48.60 1.873 16 0.293 1 6 24.34 3.657 16 7.1 7 2 1 34.40 2.607 16 0.39 10 2 0 48.71 1.870 8 0.144 2 4 24.55 3.627 16 0.18 4 3 8 35.08 2.558 16 0.12 10 2 1 48.82 1.865 16 0.115 1 2 24.67 3.609 16 0.46 2 2 10 35.14 2.554 8 0.70 10 1 3 49.03 1.858 16 0.252 1 7 24.88 3.578 16 1.2 6 3 5 35.53 2.527 16 0.32 7 7 4 49.11 1.855 8 0.934 1 5 25.12 3.544 16 0.27 7 2 3 35.64 2.519 16 0.37 5 0 13 49.12 1.855 8 0.125 0 3 25.28 3.522 8 1.2 5 5 4 35.75 2.511 8 1.9 7 3 10 49.14 1.854 16 0.275 2 1 25.36 3.512 16 4.2 7 1 4 35.75 2.511 16 0.89 7 0 11 49.39 1.845 8 0.303 2 6 25.67 3.470 16 0.11 3 1 10 35.79 2.509 16 0.44 7 6 7 49.79 1.831 16 0.33

SBE

UCSB–8C

o

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

SBS UCSB–6GaCo

CHEMICAL COMPOSITION: |(H3N(CH2)7NH3)2+12 | [Ga24Co24P48O192]

H2N(CH2)7NH2 = 1,7 diaminoheptane

REFINED COMPOSITION: |C16N16O12| [Ga24Co24P48O192]





1 0 0 5.72 15.446 6 32.2 3 2 0 25.13 3.544 12 0.40 1 0 10 33.47 2.677 12 0.420 0 2 6.50 13.591 2 99.2 5 -2 1 25.35 3.514 12 0.82 3 1 8 33.67 2.662 12 0.321 0 1 6.58 13.429 12 100.0 3 2 1 25.35 3.514 12 1.0 5 1 3 33.79 2.653 12 0.251 0 2 8.67 10.203 12 1.4 2 0 7 25.68 3.469 12 4.7 3 2 7 34.26 2.617 12 0.391 1 0 9.92 8.918 6 21.7 3 2 2 25.98 3.429 12 0.61 1 1 10 34.49 2.600 6 0.302 0 0 11.46 7.723 6 7.7 3 0 6 26.20 3.401 12 2.4 6 0 0 34.85 2.574 6 0.561 1 2 11.87 7.456 6 6.2 4 1 0 26.44 3.371 12 1.5 6 -2 5 34.89 2.572 12 0.892 -1 2 11.87 7.456 6 6.3 3 1 5 26.49 3.365 12 0.93 5 1 4 34.93 2.568 12 0.412 0 1 11.91 7.429 12 4.3 4 -1 5 26.49 3.365 12 0.42 6 -1 4 34.93 2.568 12 0.700 0 4 13.03 6.795 2 1.1 4 1 1 26.65 3.345 12 0.26 6 0 1 35.01 2.563 12 0.952 0 2 13.19 6.715 12 7.0 4 1 2 27.26 3.272 12 0.46 5 -1 7 35.26 2.545 12 0.221 0 4 14.24 6.220 12 0.94 2 1 7 27.59 3.233 12 1.7 6 0 2 35.49 2.529 12 0.252 0 3 15.07 5.878 12 0.76 3 -1 7 27.59 3.233 12 0.93 7 -3 1 35.51 2.528 12 0.232 1 0 15.18 5.838 12 4.7 4 -2 6 28.08 3.178 6 2.7 6 0 3 36.28 2.476 12 1.03 -1 1 15.52 5.708 12 5.1 2 2 6 28.08 3.178 6 0.96 5 2 0 36.32 2.473 12 0.962 1 1 15.52 5.708 12 1.7 1 1 8 28.10 3.175 6 0.37 3 1 9 36.40 2.468 12 0.431 1 4 16.40 5.405 6 0.42 4 1 3 28.25 3.159 12 1.2 5 -2 8 36.64 2.452 12 0.242 -1 4 16.40 5.405 6 1.1 5 -2 4 28.41 3.142 12 0.60 1 0 11 36.84 2.440 12 0.411 0 5 17.29 5.128 12 0.56 3 2 4 28.41 3.142 12 0.30 7 -2 2 36.94 2.433 12 0.423 0 1 17.53 5.059 12 0.83 4 -1 6 28.68 3.113 12 0.68 5 0 7 37.19 2.418 12 3.03 0 2 18.43 4.815 12 1.1 5 0 0 28.90 3.089 6 6.5 6 0 4 37.35 2.407 12 0.810 0 6 19.60 4.530 2 0.82 5 0 1 29.09 3.069 12 0.91 6 1 0 38.21 2.356 12 0.243 0 3 19.83 4.476 12 1.6 4 1 4 29.58 3.020 12 0.63 6 -2 7 38.59 2.333 12 0.382 2 0 19.91 4.459 6 2.0 5 -1 4 29.58 3.020 12 0.34 5 -2 9 39.19 2.299 12 0.422 0 5 19.97 4.445 12 3.2 5 0 2 29.66 3.012 12 1.0 3 2 9 39.19 2.299 12 0.241 0 6 20.43 4.347 12 2.9 3 3 0 30.06 2.973 6 2.2 6 0 6 40.29 2.238 12 0.723 1 0 20.73 4.284 12 5.1 5 -2 5 30.10 2.969 12 1.3 8 -3 3 42.15 2.144 12 0.413 1 1 20.99 4.232 12 1.4 3 2 5 30.10 2.969 12 0.49 8 -3 4 43.10 2.099 12 0.414 -1 1 20.99 4.232 12 0.86 1 0 9 30.15 2.964 12 0.51 6 1 6 43.29 2.090 12 0.253 0 4 21.65 4.104 12 2.2 4 2 0 30.63 2.919 12 0.34 1 0 13 43.69 2.072 12 0.963 1 2 21.75 4.086 12 0.99 3 3 2 30.79 2.904 6 0.51 8 -2 4 44.34 2.043 12 0.254 -1 2 21.75 4.086 12 0.65 6 -2 1 30.81 2.902 12 0.75 4 -2 12 44.88 2.019 6 0.252 -1 6 22.01 4.039 6 0.38 4 -1 7 31.08 2.877 12 3.6 2 0 13 44.91 2.018 12 0.491 1 6 22.01 4.039 6 2.3 3 1 7 31.08 2.877 12 1.8 4 4 6 45.34 2.000 6 0.272 1 5 22.35 3.979 12 1.6 4 1 5 31.22 2.865 12 0.54 7 1 3 45.45 1.996 12 0.452 0 6 22.76 3.908 12 0.32 2 0 9 31.81 2.813 12 0.80 6 3 0 46.67 1.946 12 0.684 -1 3 22.96 3.873 12 1.0 3 2 6 32.07 2.791 12 0.24 0 0 14 46.79 1.942 2 0.364 0 1 23.27 3.823 12 0.97 5 -2 6 32.07 2.791 12 0.31 7 0 7 47.39 1.918 12 1.11 0 7 23.62 3.766 12 0.95 6 -2 3 32.22 2.778 12 1.2 5 4 4 47.90 1.899 12 0.322 2 4 23.87 3.728 6 1.8 6 -1 1 32.44 2.760 12 2.0 2 -1 14 47.95 1.897 6 0.224 -2 4 23.87 3.728 6 0.84 0 0 10 32.95 2.718 2 0.77 7 2 1 48.35 1.883 12 0.234 0 2 23.96 3.714 12 0.28 5 -1 6 33.13 2.704 12 0.25 6 2 7 48.54 1.876 12 0.343 1 4 24.56 3.624 12 0.31 5 0 5 33.36 2.686 12 1.8 6 0 10 48.72 1.869 12 0.873 -1 6 24.88 3.579 12 0.25 6 -2 4 33.41 2.682 12 0.34 9 -4 5 49.01 1.859 12 0.244 0 3 25.07 3.552 12 0.23 4 2 4 33.41 2.682 12 0.26 6 -1 11 49.39 1.845 12 0.31

SBS

UCSB–6G

aCo

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

SBT UCSB–10GaZn

CHEMICAL COMPOSITION: |(H3N(CH2)3O((CH2)2O)2(CH2)3NH3)2+18 | [Ga36Zn36P72O288]

H2N(CH2)3O((CH2)2O)2(CH2)3NH2 = 4,7,10-trioxa-1,13-tridecanediamine

REFINED COMPOSITION: |C30N24| [Ga36Zn36P72O288]





0 0 1 2.11 41.951 2 0.46 1 3 7 25.33 3.517 6 0.66 4 -3 13 34.63 2.590 6 0.280 1 0 5.64 15.658 6 0.42 3 0 9 25.62 3.477 6 1.0 1 0 16 34.69 2.586 6 0.691 0 1 6.02 14.670 6 100.0 0 3 9 25.62 3.477 6 1.3 4 2 8 34.81 2.577 6 0.460 0 3 6.32 13.984 2 71.5 2 0 11 25.99 3.429 6 3.0 6 -2 8 34.81 2.577 6 1.00 1 2 7.04 12.548 6 30.6 2 1 10 26.03 3.422 6 1.4 6 0 3 34.98 2.565 6 0.381 1 0 9.78 9.040 6 10.7 3 -1 10 26.03 3.422 6 0.81 0 6 3 34.98 2.565 6 1.50 2 1 11.50 7.696 6 2.2 1 4 0 26.08 3.417 6 1.5 7 -4 2 35.12 2.555 6 0.232 -1 3 11.66 7.592 6 4.4 4 1 0 26.08 3.417 6 0.85 0 5 10 35.78 2.510 6 1.51 1 3 11.66 7.592 6 4.1 5 -2 4 26.22 3.398 6 0.21 2 5 0 35.81 2.507 6 0.850 1 5 11.97 7.395 6 0.27 3 1 8 26.65 3.345 6 0.91 5 2 0 35.81 2.507 6 0.252 0 2 12.07 7.335 6 9.5 1 4 3 26.86 3.319 6 0.61 7 -5 3 36.40 2.468 6 0.270 0 6 12.66 6.992 2 0.65 5 -3 5 27.00 3.302 6 0.39 3 1 14 36.43 2.466 6 0.233 -1 1 15.12 5.860 6 3.5 1 1 12 27.35 3.261 6 0.23 6 0 6 36.76 2.445 6 0.862 1 1 15.12 5.860 6 2.7 4 -2 9 27.49 3.245 6 2.7 5 0 11 37.15 2.420 6 1.51 2 2 15.56 5.696 6 0.50 2 2 9 27.49 3.245 6 0.83 5 -2 13 37.46 2.401 6 0.473 -2 2 15.56 5.696 6 0.72 3 -2 11 27.83 3.206 6 0.39 3 2 13 37.46 2.401 6 0.231 1 6 16.02 5.531 6 0.52 1 2 11 27.83 3.206 6 0.31 7 -6 1 37.73 2.384 6 0.292 -1 6 16.02 5.531 6 0.60 0 5 1 28.58 3.123 6 7.4 1 6 1 37.73 2.384 6 0.280 1 8 17.84 4.972 6 2.6 5 0 2 28.82 3.097 6 0.52 4 -2 15 37.83 2.378 6 0.283 0 3 18.14 4.890 6 2.8 5 -1 6 29.09 3.070 6 0.22 6 0 9 39.58 2.277 6 0.360 2 7 18.65 4.759 6 0.48 5 -4 6 29.09 3.070 6 0.21 0 6 9 39.58 2.277 6 0.390 0 9 19.04 4.661 2 0.59 1 4 6 29.09 3.070 6 1.1 1 0 19 41.29 2.186 6 0.842 2 0 19.64 4.520 6 2.4 4 -3 10 29.61 3.017 6 3.6 8 -3 5 41.79 2.161 6 0.412 0 8 20.38 4.357 6 3.0 1 3 10 29.61 3.017 6 0.48 0 2 19 42.54 2.125 6 0.514 -3 1 20.56 4.320 6 0.35 3 3 0 29.64 3.013 6 1.5 8 -6 5 43.03 2.102 6 0.271 3 1 20.56 4.320 6 3.6 0 2 13 29.95 2.984 6 0.60 8 -5 7 43.17 2.096 6 0.344 -1 2 20.89 4.253 6 2.9 5 -3 8 30.16 2.964 6 1.4 0 1 20 43.53 2.079 6 0.272 1 7 21.10 4.211 6 1.8 2 3 8 30.16 2.964 6 0.55 1 6 10 43.61 2.075 6 0.363 0 6 21.24 4.183 6 0.38 6 -4 1 30.28 2.952 6 0.73 4 -2 18 43.70 2.071 6 0.250 3 6 21.24 4.183 6 2.9 3 3 3 30.34 2.946 6 0.29 5 3 8 44.01 2.057 6 0.222 -1 9 21.45 4.143 6 0.24 0 1 14 30.37 2.943 6 0.61 1 7 3 44.14 2.052 6 0.291 1 9 21.45 4.143 6 2.9 4 -1 11 31.21 2.866 6 0.49 2 3 17 44.54 2.034 6 0.241 0 10 21.93 4.052 6 2.1 3 1 11 31.21 2.866 6 1.7 4 4 9 44.55 2.034 6 0.451 2 8 22.65 3.925 6 0.84 6 -1 1 31.89 2.806 6 1.0 0 0 21 45.40 1.998 2 0.374 0 1 22.82 3.898 6 0.28 2 0 14 31.98 2.799 6 0.39 7 1 6 45.62 1.988 6 0.463 1 5 23.06 3.857 6 0.41 0 0 15 32.00 2.797 2 0.68 7 0 10 45.98 1.974 6 0.314 -1 5 23.06 3.857 6 0.53 6 -2 5 32.07 2.791 6 0.94 3 6 0 46.01 1.973 6 0.450 4 2 23.11 3.848 6 1.4 1 5 2 32.11 2.787 6 0.24 0 7 11 47.10 1.929 6 0.514 -2 6 23.43 3.796 6 1.1 6 -5 2 32.11 2.787 6 0.25 2 7 1 47.58 1.911 6 0.372 2 6 23.43 3.796 6 2.2 0 5 7 32.25 2.776 6 0.81 0 6 15 47.66 1.908 6 0.520 2 10 24.07 3.698 6 1.5 5 -1 9 32.49 2.756 6 0.67 6 0 15 47.66 1.908 6 0.490 4 5 25.10 3.547 6 0.67 5 0 8 33.32 2.689 6 0.61 1 5 17 49.12 1.855 6 0.315 -3 2 25.15 3.541 6 0.73 6 -5 5 33.61 2.666 6 0.51 0 2 22 49.18 1.853 6 0.272 3 2 25.15 3.541 6 1.5 1 5 5 33.61 2.666 6 0.82 8 1 1 49.80 1.831 6 0.244 -3 7 25.33 3.517 6 0.43 0 6 0 34.36 2.610 6 0.59 1 8 2 49.95 1.826 6 0.21

SBT

UCSB–10G

aZn

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

SFE SSZ–48, Calcined




Electron diffraction, and X-ray powder, Rw = 0.0971, Rp = 0.0887

REFERENCE: P. Wagner, O. Terasaki, S. Ritsch, J. G. Nery, S. I. Zones,M. E. Davis and K. Hiraga, J. Phys. Chem. B 103 8245–8250 (1999).


0 0 1 6.58 13.432 2 99.6 0 1 4 32.10 2.788 4 0.99 -3 1 5 41.97 2.152 4 0.121 0 0 8.07 10.961 2 100.0 -4 0 1 32.11 2.788 2 0.44 -4 1 4 42.57 2.124 4 0.12

-1 0 1 9.43 9.383 2 40.0 4 0 0 32.68 2.740 2 0.07 2 2 2 42.93 2.107 4 0.171 0 1 11.32 7.815 2 21.8 -3 0 4 32.72 2.737 2 1.1 5 0 1 43.01 2.103 2 0.120 0 2 13.18 6.716 2 0.29 -1 0 5 32.83 2.728 2 1.3 -2 2 3 43.20 2.094 4 0.42

-1 0 2 14.14 6.265 2 0.84 2 1 3 33.30 2.690 4 0.13 -1 1 6 43.67 2.073 4 1.52 0 0 16.17 5.481 2 1.7 0 0 5 33.35 2.686 2 0.22 -3 2 1 43.67 2.073 4 0.14

-2 0 1 16.30 5.438 2 2.7 -2 1 4 33.76 2.655 4 0.34 3 1 4 43.75 2.069 4 0.171 0 2 16.70 5.307 2 2.8 2 0 4 33.78 2.654 2 0.23 3 2 0 43.87 2.064 4 1.12 0 1 18.58 4.776 2 2.7 -3 1 3 33.80 2.652 4 2.1 2 1 5 44.07 2.055 4 0.21

-2 0 2 18.92 4.691 2 5.4 -2 0 5 34.36 2.610 2 0.27 0 1 6 44.33 2.043 4 0.160 1 1 18.93 4.688 4 1.5 1 1 4 34.38 2.608 4 0.53 -5 1 1 44.48 2.037 4 0.551 1 0 19.51 4.551 4 5.8 3 0 3 34.42 2.605 2 0.92 -3 2 2 44.56 2.033 4 0.450 0 3 19.83 4.477 2 5.9 4 0 1 34.59 2.593 2 0.38 -2 1 6 44.64 2.030 4 0.58

-1 0 3 19.99 4.442 2 0.24 -4 0 3 35.10 2.557 2 0.16 -5 1 2 44.88 2.020 4 0.19-1 1 1 20.12 4.414 4 36.9 1 0 5 35.85 2.505 2 0.26 -1 2 4 45.04 2.013 4 0.101 1 1 21.09 4.213 4 0.20 0 2 0 35.91 2.501 2 8.7 3 2 1 45.14 2.009 4 0.200 1 2 22.16 4.012 4 2.2 0 2 1 36.54 2.459 4 1.2 5 1 0 45.16 2.008 4 0.58

-1 1 2 22.75 3.909 4 24.5 1 2 0 36.86 2.438 4 0.77 0 2 4 45.20 2.006 4 0.702 0 2 22.76 3.908 2 6.0 -4 1 1 36.91 2.435 4 1.5 4 1 3 45.64 1.988 4 0.10

-2 0 3 23.22 3.831 2 0.82 -1 2 1 37.20 2.417 4 0.29 5 0 2 45.85 1.979 2 0.94-3 0 1 24.03 3.703 2 3.2 4 1 0 37.42 2.403 4 0.24 2 2 3 46.11 1.968 4 0.222 1 0 24.09 3.695 4 4.2 -3 1 4 37.46 2.401 4 1.8 -5 1 3 46.32 1.960 4 0.26

-2 1 1 24.18 3.681 4 17.4 -1 1 5 37.55 2.395 4 2.0 -4 1 5 46.44 1.955 4 0.753 0 0 24.36 3.654 2 10.7 -4 1 2 37.66 2.389 4 2.1 -2 2 4 46.46 1.954 4 0.611 1 2 24.45 3.640 4 0.23 4 0 2 37.67 2.388 2 0.08 -3 2 3 46.49 1.953 4 1.2

-3 0 2 25.51 3.491 2 0.61 -3 0 5 37.72 2.385 2 0.20 1 1 6 46.56 1.950 4 0.262 1 1 25.79 3.454 4 1.1 1 2 1 37.77 2.382 4 0.33 2 0 6 46.57 1.950 2 1.4

-2 1 2 26.04 3.422 4 1.6 2 1 4 38.40 2.344 4 0.61 -3 1 6 47.16 1.927 4 0.38-1 0 4 26.28 3.391 2 2.2 -1 2 2 38.77 2.323 4 0.10 -2 0 7 47.21 1.925 2 0.133 0 1 26.43 3.372 2 3.1 -2 1 5 38.92 2.314 4 1.2 -4 0 6 47.46 1.916 2 0.140 0 4 26.54 3.358 2 10.0 3 1 3 38.98 2.311 4 0.22 -5 1 4 48.75 1.868 4 0.280 1 3 26.72 3.336 4 2.6 4 1 1 39.13 2.302 4 0.48 -4 2 1 48.93 1.862 4 0.11

-1 1 3 26.84 3.321 4 3.2 -1 0 6 39.57 2.277 2 0.17 -6 0 1 49.07 1.857 2 0.102 0 3 27.96 3.191 2 11.5 -4 1 3 39.59 2.277 4 0.15 3 1 5 49.15 1.854 4 0.35

-2 0 4 28.49 3.132 2 1.2 2 2 0 39.61 2.275 4 0.17 -6 0 2 49.21 1.851 2 0.15-3 0 3 28.54 3.128 2 0.49 3 0 4 39.66 2.272 2 0.12 4 2 0 49.33 1.847 4 0.301 1 3 29.03 3.076 4 0.77 -2 2 1 39.67 2.272 4 0.24 -3 2 4 49.36 1.846 4 0.441 0 4 29.22 3.057 2 1.9 1 1 5 40.27 2.240 4 0.49 -3 0 7 49.40 1.845 2 0.71

-2 1 3 29.37 3.041 4 0.42 0 0 6 40.28 2.239 2 0.47 -1 2 5 49.44 1.844 4 0.31-3 1 1 30.02 2.976 4 1.3 2 2 1 40.72 2.216 4 0.09 -4 2 2 49.52 1.841 4 0.463 1 0 30.29 2.950 4 0.72 -5 0 2 40.88 2.208 2 0.11 5 1 2 49.53 1.840 4 0.20

-3 1 2 31.24 2.863 4 1.3 -2 2 2 40.89 2.207 4 0.15 5 0 3 49.56 1.839 2 1.8-1 1 4 31.88 2.807 4 0.20 5 0 0 41.18 2.192 2 0.19 0 2 5 49.81 1.831 4 0.153 1 1 32.01 2.796 4 1.5 0 2 3 41.35 2.183 4 0.53 6 0 0 49.92 1.827 2 0.11

SFE

SSZ–48,

Calcined

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

SFF SSZ-44, Calcined



CRYSTAL DATA: P1 21/m 1 (No. 11; unique axis b)a = 11.4853 A b = 21.9458 A c = 7.3881 Aα = 90.0◦ β = 94.702◦ γ = 90.0◦


REFERENCE: P. Wagner, S. I. Zones, M. E. Davis and R. C. Medrud,Angew. Chem., Int. ed. 38 1269–1272 (1999).


1 0 0 7.72 11.447 2 50.8 3 3 0 26.34 3.383 4 0.77 4 3 1 36.73 2.447 4 0.430 2 0 8.06 10.973 2 100.0 1 1 2 26.34 3.383 4 3.0 -1 1 3 37.05 2.426 4 0.961 1 0 8.71 10.149 4 55.9 -3 2 1 26.68 3.341 4 0.65 3 7 0 37.11 2.422 4 0.401 2 0 11.17 7.921 4 5.6 0 3 2 27.11 3.289 4 5.5 0 2 3 37.55 2.395 4 0.810 0 1 12.02 7.363 2 4.5 0 6 1 27.22 3.276 4 0.76 0 7 2 37.68 2.387 4 0.300 1 1 12.68 6.981 4 7.7 1 2 2 27.28 3.269 4 0.70 -1 2 3 37.75 2.383 4 0.49

-1 0 1 13.76 6.437 2 6.6 -1 3 2 27.67 3.224 4 0.27 -1 7 2 38.10 2.362 4 0.220 2 1 14.49 6.114 4 1.4 -2 0 2 27.71 3.219 2 3.7 -4 1 2 38.45 2.341 4 0.331 1 1 15.37 5.764 4 1.8 -2 5 1 27.78 3.211 4 0.63 -3 7 1 38.51 2.337 4 0.32

-1 2 1 15.96 5.552 4 0.51 -2 1 2 28.02 3.185 4 0.25 2 8 1 38.81 2.320 4 0.222 1 0 16.00 5.538 4 0.44 -3 3 1 28.22 3.163 4 0.36 2 6 2 38.93 2.314 4 0.440 4 0 16.15 5.486 2 0.31 3 2 1 28.40 3.142 4 0.38 -2 2 3 39.61 2.275 4 0.250 3 1 17.09 5.190 4 1.3 3 4 0 28.49 3.133 4 3.0 3 7 1 39.77 2.266 4 0.521 4 0 17.93 4.947 4 2.8 1 3 2 28.79 3.101 4 1.0 -4 3 2 40.23 2.242 4 0.23

-1 3 1 18.36 4.833 4 0.72 2 5 1 28.90 3.089 4 2.3 -4 6 1 41.12 2.195 4 0.851 3 1 19.18 4.627 4 17.4 -2 2 2 28.91 3.089 4 0.22 0 10 0 41.13 2.195 2 0.38

-2 1 1 19.27 4.605 4 10.0 2 6 0 28.97 3.082 4 0.74 5 3 0 41.32 2.185 4 0.342 3 0 19.69 4.508 4 6.3 0 4 2 29.21 3.057 4 0.26 -3 8 1 41.80 2.161 4 0.240 4 1 20.18 4.399 4 0.43 1 7 0 29.54 3.024 4 0.25 2 2 3 42.04 2.149 4 0.42

-2 2 1 20.52 4.328 4 7.1 -1 4 2 29.73 3.005 4 1.9 -2 4 3 42.20 2.141 4 0.21-1 4 1 21.28 4.176 4 1.8 2 0 2 29.91 2.987 2 2.0 3 8 1 42.98 2.104 4 1.91 5 0 21.68 4.098 4 5.7 1 4 2 30.78 2.905 4 0.95 0 10 1 43.01 2.103 4 0.702 2 1 21.98 4.043 4 2.3 -2 6 1 30.95 2.889 4 0.24 2 3 3 43.09 2.099 4 0.252 4 0 22.45 3.961 4 0.25 0 7 1 31.00 2.885 4 1.0 3 9 0 44.07 2.055 4 0.30

-2 3 1 22.45 3.960 4 0.99 3 5 0 31.06 2.880 4 1.8 5 3 1 44.15 2.051 4 0.573 0 0 23.31 3.816 2 1.7 4 0 0 31.26 2.862 2 0.33 2 4 3 44.52 2.035 4 0.220 5 1 23.60 3.770 4 1.5 -1 7 1 31.75 2.819 4 0.29 -5 0 2 44.88 2.020 2 0.433 1 0 23.67 3.759 4 0.26 2 6 1 31.97 2.799 4 1.5 4 7 1 45.35 2.000 4 0.412 3 1 23.80 3.738 4 7.7 -1 5 2 32.20 2.780 4 0.43 -3 4 3 45.38 1.998 4 0.420 0 2 24.17 3.682 2 0.21 -2 4 2 32.24 2.776 4 0.33 -5 5 1 45.48 1.994 4 0.310 6 0 24.33 3.658 2 0.99 4 2 0 32.33 2.769 4 1.1 1 9 2 45.68 1.986 4 0.380 1 2 24.52 3.631 4 3.1 0 8 0 32.64 2.743 2 0.97 1 6 3 45.75 1.983 4 0.22

-1 5 1 24.55 3.626 4 0.53 -3 5 1 32.68 2.740 4 0.94 3 9 1 46.40 1.957 4 0.953 2 0 24.70 3.604 4 2.3 4 3 0 33.63 2.665 4 0.43 -4 1 3 46.93 1.936 4 0.22

-1 0 2 24.79 3.592 2 2.8 -4 2 1 33.66 2.662 4 1.8 3 3 3 47.31 1.921 4 0.56-2 4 1 24.92 3.574 4 4.9 3 5 1 34.13 2.627 4 0.25 -5 6 1 47.62 1.909 4 0.75-1 1 2 25.12 3.545 4 0.64 4 0 1 34.54 2.596 2 0.57 1 7 3 48.26 1.886 4 0.211 5 1 25.18 3.537 4 5.3 -3 3 2 34.68 2.586 4 0.53 4 8 1 48.26 1.886 4 0.780 2 2 25.52 3.490 4 0.63 0 8 1 34.90 2.571 4 2.3 2 6 3 48.42 1.880 4 0.491 6 0 25.57 3.484 4 0.46 -1 6 2 35.01 2.563 4 0.37 -3 6 3 49.23 1.851 4 0.492 5 0 25.58 3.483 4 8.9 3 0 2 35.23 2.547 2 1.3 -1 0 4 49.50 1.841 2 0.24

-3 1 1 25.72 3.463 4 3.5 4 2 1 35.53 2.527 4 0.88 -2 11 1 49.62 1.837 4 0.461 0 2 26.02 3.424 2 0.39 3 2 2 36.20 2.481 4 0.25 -1 1 4 49.69 1.835 4 0.24

-1 2 2 26.10 3.413 4 1.2 -3 4 2 36.38 2.469 4 0.27 -3 9 2 49.86 1.829 4 0.602 4 1 26.14 3.408 4 0.96 0 0 3 36.61 2.454 2 0.45 -6 3 1 49.97 1.825 4 0.53

SFF

SSZ-44,

Calcined

504030201002 theta (°)

60

50

40

30

20

10

0

SFG SSZ-58

CHEMICAL COMPOSITION: [Si71.75B2.25O148]


CRYSTAL DATA: Pmma (No. 51)a = 25.118 A b = 12.4976 A c = 12.8597 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: A. Burton, S. Elomari, R. C. Medrud, I. Y. Chan, C.-Y. Chen, L. M. Bulland E. S. Vittoratos, J. Am. Chem. Soc. 125 1633–1642 (2003).


0 0 1 6.87 12.860 2 12.8 2 3 0 22.49 3.954 4 13.2 5 1 4 33.87 2.646 8 0.812 0 0 7.04 12.559 2 19.2 3 2 2 22.50 3.951 8 2.0 4 2 4 34.47 2.602 8 0.450 1 0 7.07 12.498 2 100.0 1 3 1 22.71 3.915 8 8.4 8 2 2 34.89 2.571 8 0.851 0 1 7.72 11.447 4 15.3 2 1 3 23.05 3.859 8 1.4 6 0 4 35.20 2.550 4 0.602 0 1 9.84 8.985 4 0.25 3 0 3 23.31 3.816 4 1.1 8 0 3 35.44 2.533 4 0.800 1 1 9.87 8.962 4 12.7 6 1 1 23.45 3.793 8 0.26 1 3 4 35.45 2.532 8 0.472 1 0 9.98 8.859 4 23.7 2 3 1 23.54 3.779 8 4.4 1 4 3 35.74 2.512 8 0.421 1 1 10.48 8.441 8 9.7 5 1 2 23.57 3.774 8 2.7 10 0 0 35.75 2.512 2 0.602 1 1 12.13 7.295 8 4.1 5 2 1 23.76 3.746 8 3.9 8 3 0 35.81 2.507 4 0.403 0 1 12.62 7.017 4 0.37 3 1 3 24.39 3.649 8 0.35 1 1 5 35.82 2.507 8 0.314 0 0 14.10 6.280 2 3.4 4 2 2 24.40 3.648 8 1.3 6 4 0 35.86 2.504 4 0.460 2 0 14.17 6.249 2 2.4 3 3 1 24.86 3.582 8 0.27 9 2 1 35.93 2.500 8 1.31 0 2 14.22 6.229 4 2.9 4 0 3 25.15 3.540 4 1.8 0 5 0 35.93 2.500 2 0.922 0 2 15.48 5.723 4 1.1 0 2 3 25.19 3.535 4 1.7 6 1 4 35.95 2.498 8 0.490 1 2 15.50 5.718 4 1.4 6 2 0 25.61 3.478 4 2.0 5 2 4 36.15 2.485 8 0.964 0 1 15.70 5.643 4 2.9 7 0 1 25.78 3.456 4 1.4 2 4 3 36.29 2.475 8 0.600 2 1 15.77 5.620 4 1.4 4 1 3 26.16 3.406 8 1.4 10 0 1 36.45 2.465 4 0.482 2 0 15.84 5.595 4 3.0 2 2 3 26.19 3.403 8 0.85 8 3 1 36.51 2.461 8 0.941 1 2 15.90 5.575 8 0.53 5 2 2 26.66 3.344 8 2.0 3 0 5 36.55 2.459 4 1.11 2 1 16.16 5.485 8 2.7 5 0 3 27.35 3.261 4 1.5 6 4 1 36.56 2.458 8 0.582 1 2 17.04 5.204 8 0.35 3 2 3 27.39 3.256 8 1.3 5 4 2 36.64 2.453 8 0.854 1 1 17.24 5.143 8 2.7 3 3 2 27.65 3.226 8 2.6 6 3 3 36.96 2.432 8 0.322 2 1 17.29 5.130 8 2.8 0 0 4 27.75 3.215 2 0.25 10 1 1 37.17 2.419 8 0.333 0 2 17.39 5.100 4 0.57 1 0 4 27.98 3.189 4 1.6 7 0 4 37.56 2.394 4 0.283 1 2 18.79 4.722 8 2.5 5 1 3 28.28 3.155 8 0.37 4 0 5 37.80 2.380 4 1.25 0 1 18.97 4.679 4 5.1 0 4 0 28.57 3.124 2 3.5 1 2 5 38.00 2.368 8 0.703 2 1 19.02 4.666 8 0.67 0 1 4 28.67 3.114 4 0.31 0 5 2 38.65 2.330 4 0.264 0 2 19.76 4.492 4 8.2 5 3 1 28.69 3.111 8 3.9 2 5 2 39.33 2.291 8 0.380 2 2 19.81 4.481 4 0.66 4 3 2 29.24 3.055 8 0.62 9 3 1 39.49 2.282 8 0.344 2 0 20.05 4.429 4 0.49 3 0 4 29.77 3.001 4 0.59 5 3 4 39.70 2.270 8 0.461 2 2 20.13 4.412 8 0.38 0 3 3 29.91 2.987 4 1.9 8 0 4 40.14 2.246 4 0.335 1 1 20.26 4.382 8 3.0 8 1 1 30.16 2.963 8 1.3 3 5 2 40.18 2.244 8 0.260 0 3 20.72 4.287 2 4.8 6 3 0 30.27 2.953 4 0.78 9 2 3 41.21 2.190 8 0.274 1 2 21.01 4.228 8 0.61 6 1 3 30.70 2.913 8 0.39 12 0 0 43.22 2.093 2 0.801 0 3 21.02 4.225 4 13.2 5 2 3 30.93 2.891 8 0.76 0 6 0 43.44 2.083 2 2.32 2 2 21.05 4.221 8 1.5 1 2 4 31.50 2.840 8 0.72 3 0 6 43.59 2.076 4 0.964 2 1 21.21 4.188 8 0.80 8 0 2 31.71 2.821 4 0.92 11 2 2 44.53 2.035 8 0.356 0 0 21.22 4.186 2 2.1 3 3 3 31.80 2.814 8 1.3 7 5 1 44.74 2.025 8 0.460 3 0 21.33 4.166 2 1.5 0 4 2 31.84 2.810 4 0.48 1 2 6 44.85 2.021 8 0.312 0 3 21.91 4.057 4 5.7 7 0 3 32.54 2.751 4 0.51 5 5 3 45.74 1.984 8 0.660 1 3 21.92 4.055 4 1.4 2 4 2 32.65 2.742 8 0.40 10 0 4 45.84 1.979 4 0.691 1 3 22.21 4.003 8 0.44 4 4 1 32.76 2.733 8 0.33 3 2 6 46.06 1.970 8 0.276 0 1 22.33 3.981 4 14.8 9 0 1 32.84 2.727 4 0.41 7 5 2 46.47 1.954 8 0.680 3 1 22.43 3.963 4 5.8 4 3 3 33.21 2.698 8 1.2 1 3 6 47.86 1.900 8 0.275 0 2 22.46 3.959 4 11.2 9 1 1 33.63 2.665 8 0.87 13 2 1 49.91 1.827 8 0.42

SFG

SSZ-58

504030201002 theta (°)

25

20

15

10

5

0

SFH SSZ-53



CRYSTAL DATA: C 2/c (No. 15; unique axis b, cell choice 1)a = 5.01920 A b = 33.7437 A c = 21.1653 Aα = 90◦ β = 90.485◦ γ = 90◦


REFERENCE: A. Burton, S. Elomari, C.-Y. Chen, R. C. Medrud, I. Y. Chan, L. M. Bull,C. Kibby, T. V. Harris, S. I. Zones and E. S. Vittoratos,Chemistry: A European Journal 9 5737–5748 (2003).


0 2 0 5.24 16.872 2 7.3 0 6 5 26.35 3.382 4 0.15 0 14 1 37.56 2.395 4 0.170 2 1 6.70 13.193 4 100.0 0 10 0 26.41 3.374 2 0.64 0 14 2 38.30 2.350 4 0.120 0 2 8.36 10.582 2 42.1 0 10 1 26.75 3.332 4 1.3 1 11 4 38.44 2.342 4 0.140 2 2 9.87 8.965 4 2.8 -1 7 2 26.95 3.309 4 0.55 0 2 9 38.66 2.329 4 0.230 4 0 10.49 8.436 2 0.54 0 8 4 27.03 3.298 4 3.2 1 13 0 39.07 2.306 4 0.180 4 1 11.29 7.836 4 0.51 0 4 6 27.41 3.254 4 3.2 -1 3 8 39.18 2.299 4 0.230 4 2 13.42 6.596 4 0.13 -1 1 5 27.58 3.234 4 1.1 -1 7 7 39.38 2.288 4 0.150 6 0 15.76 5.624 2 0.78 -1 5 4 27.75 3.215 4 0.85 1 9 6 39.50 2.281 4 0.240 6 1 16.31 5.435 4 0.91 0 10 2 27.75 3.215 4 1.2 -2 6 1 39.52 2.280 4 0.150 4 3 16.38 5.412 4 0.61 1 1 5 27.81 3.208 4 0.12 0 10 7 40.04 2.252 4 0.130 0 4 16.76 5.291 2 0.15 1 5 4 27.93 3.194 4 1.3 1 13 2 40.06 2.251 4 0.210 2 4 17.57 5.049 4 1.3 -1 7 3 28.56 3.126 4 0.22 -1 11 5 40.44 2.231 4 0.120 6 2 17.86 4.966 4 6.5 -1 3 5 28.59 3.122 4 0.16 -1 13 3 41.14 2.194 4 0.161 1 0 17.87 4.964 4 0.16 0 10 3 29.34 3.044 4 1.8 1 13 3 41.24 2.189 4 0.11

-1 1 1 18.32 4.842 4 0.48 1 9 0 29.74 3.004 4 0.94 2 6 3 41.52 2.175 4 0.141 1 1 18.39 4.824 4 0.90 0 8 5 29.90 2.988 4 0.72 -2 2 5 42.04 2.149 4 0.111 3 0 19.37 4.583 4 1.9 -1 9 1 30.03 2.976 4 0.52 2 2 5 42.37 2.133 4 0.17

-1 1 2 19.69 4.509 4 0.83 -1 7 4 30.69 2.913 4 0.37 1 9 7 42.53 2.126 4 0.13-1 3 1 19.79 4.487 4 4.0 -1 1 6 30.98 2.887 4 0.41 -1 13 4 42.72 2.117 4 0.120 4 4 19.81 4.482 4 1.3 1 9 2 30.99 2.886 4 0.26 -2 8 2 42.73 2.116 4 0.121 1 2 19.82 4.480 4 0.60 1 1 6 31.23 2.864 4 0.95 1 13 4 42.85 2.111 4 0.141 3 1 19.85 4.472 4 3.6 0 4 7 31.43 2.846 4 0.12 0 16 0 42.88 2.109 2 0.17

-1 3 2 21.06 4.218 4 7.0 0 10 4 31.44 2.845 4 0.11 0 14 5 43.19 2.095 4 0.111 3 2 21.18 4.194 4 9.1 0 12 0 31.82 2.812 2 0.49 0 10 8 43.47 2.082 4 0.890 8 1 21.48 4.137 4 2.0 0 12 1 32.11 2.787 4 0.38 2 8 3 43.99 2.058 4 0.260 2 5 21.64 4.106 4 6.8 1 3 6 32.14 2.785 4 0.23 -1 13 5 44.68 2.028 4 0.12

-1 1 3 21.80 4.076 4 0.62 0 12 2 32.96 2.718 4 0.74 2 6 5 45.13 2.009 4 0.151 1 3 21.98 4.044 4 0.48 0 8 6 33.11 2.706 4 0.40 -2 4 6 45.47 1.995 4 0.401 5 0 22.07 4.027 4 4.0 1 7 5 33.45 2.679 4 0.17 -2 10 2 45.81 1.981 4 0.121 5 1 22.50 3.951 4 0.77 1 5 6 33.90 2.645 4 0.25 2 4 6 45.83 1.980 4 0.150 8 2 22.69 3.918 4 0.35 -1 9 4 34.25 2.618 4 0.64 -1 15 3 46.00 1.973 4 0.34

-1 3 3 23.06 3.857 4 0.67 1 9 4 34.41 2.607 4 0.14 1 15 3 46.09 1.969 4 0.600 6 4 23.08 3.854 4 2.1 -1 11 1 34.51 2.599 4 0.55 -1 7 9 46.49 1.953 4 0.271 3 3 23.22 3.830 4 1.8 -1 1 7 34.61 2.592 4 0.15 -2 10 3 46.83 1.940 4 0.250 4 5 23.51 3.783 4 0.60 -1 11 2 35.29 2.543 4 1.00 -1 13 6 47.00 1.933 4 0.27

-1 5 2 23.58 3.773 4 0.11 -1 3 7 35.44 2.533 4 0.59 0 10 9 47.10 1.929 4 0.501 5 2 23.69 3.756 4 0.17 2 0 0 35.78 2.510 2 3.6 0 2 11 47.56 1.912 4 0.88

-1 1 4 24.48 3.636 4 0.23 -2 2 1 36.41 2.468 4 0.55 -2 4 7 48.15 1.890 4 0.120 8 3 24.59 3.620 4 0.48 2 2 1 36.48 2.463 4 0.24 0 16 5 48.21 1.888 4 0.120 0 6 25.25 3.527 2 3.2 0 8 7 36.57 2.457 4 0.34 -2 10 4 48.25 1.886 4 0.13

-1 5 3 25.39 3.508 4 2.1 -2 0 2 36.73 2.446 2 0.15 2 4 7 48.56 1.875 4 0.141 5 3 25.54 3.487 4 0.13 1 9 5 36.78 2.444 4 0.29 2 12 0 48.63 1.872 4 0.141 7 0 25.62 3.477 4 0.24 2 0 2 36.88 2.437 2 0.27 2 12 2 49.49 1.842 4 0.161 3 4 25.81 3.451 4 0.86 -1 5 7 37.06 2.426 4 0.15 1 17 1 49.59 1.838 4 0.15

-1 7 1 25.95 3.434 4 1.5 1 5 7 37.31 2.410 4 0.62 2 8 6 49.71 1.834 4 0.28

SFH

SSZ-53

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

SFN SSZ-59





REFERENCE: A. Burton, S. Elomari, C. Y. Chen, R. C. Medrud, I. Y. Chan, L. M. Bull,C. Kibby, T. V. Harris, S. I. Zones and E. S. Vittoratos,Chemistry: A European Journal 9 5737–5748 (2003).


0 0 1 6.18 14.297 2 100.0 1 -2 3 26.36 3.381 2 0.22 1 -5 0 37.95 2.371 2 0.720 1 0 7.28 12.146 2 59.8 0 2 3 26.38 3.378 2 1.0 -1 -4 3 38.43 2.342 2 0.850 -1 1 8.35 10.585 2 58.3 1 -3 2 26.56 3.356 2 0.63 1 2 4 39.05 2.306 2 0.210 1 1 10.62 8.328 2 1.2 -1 1 3 26.59 3.352 2 0.24 -2 2 2 39.27 2.294 2 0.260 -1 2 12.78 6.924 2 0.86 1 2 1 27.26 3.272 2 2.0 0 -5 4 39.57 2.277 2 0.480 -2 1 14.42 6.141 2 0.60 0 1 4 27.64 3.227 2 5.4 -1 5 1 39.80 2.265 2 0.340 2 0 14.59 6.073 2 0.41 0 3 2 27.79 3.210 2 0.20 2 1 1 39.87 2.261 2 0.130 1 2 15.81 5.604 2 1.8 0 -4 2 29.08 3.071 2 0.57 1 1 5 40.17 2.245 2 0.210 -2 2 16.75 5.292 2 0.32 0 -3 4 29.12 3.067 2 0.34 0 1 6 40.27 2.240 2 0.240 2 1 17.17 5.164 2 4.9 0 4 0 29.42 3.036 2 0.15 -1 -1 6 40.84 2.210 2 0.161 0 0 18.01 4.925 2 0.31 -1 2 3 29.77 3.001 2 1.4 -2 2 3 42.08 2.147 2 0.131 -1 0 18.06 4.912 2 0.64 1 1 3 29.84 2.994 2 0.80 1 4 2 42.46 2.129 2 0.380 -1 3 18.30 4.847 2 1.8 0 -1 5 30.36 2.944 2 2.6 2 -4 0 42.48 2.128 2 0.130 0 3 18.62 4.766 2 4.0 1 -2 4 30.69 2.913 2 0.18 -1 5 2 42.58 2.123 2 0.13

-1 0 1 18.73 4.738 2 1.7 1 -4 1 30.83 2.900 2 0.97 2 -4 2 42.87 2.109 2 0.261 -1 1 18.86 4.706 2 1.2 -1 -3 2 31.22 2.865 2 0.45 0 -2 7 43.24 2.092 2 1.9

-1 1 1 19.35 4.588 2 0.26 1 3 0 31.23 2.864 2 0.16 0 4 4 43.46 2.082 2 0.221 0 1 19.38 4.579 2 0.85 0 0 5 31.28 2.859 2 0.36 -1 -5 2 43.64 2.074 2 0.301 1 0 20.75 4.281 2 16.0 1 -4 0 31.43 2.846 2 0.28 -2 4 1 43.75 2.069 2 0.180 -2 3 20.77 4.277 2 6.7 1 -4 2 31.53 2.838 2 0.38 1 -6 1 43.98 2.059 2 0.251 -2 0 20.87 4.256 2 18.2 0 2 4 31.94 2.802 2 0.14 0 2 6 44.01 2.058 2 0.12

-1 0 2 21.33 4.165 2 0.58 0 3 3 32.24 2.776 2 2.1 2 -1 4 44.22 2.048 2 0.170 -3 1 21.34 4.164 2 0.24 -1 -2 4 32.47 2.758 2 0.14 -1 -5 3 44.54 2.034 2 0.120 2 2 21.34 4.164 2 0.94 -1 -3 3 33.10 2.706 2 0.38 -1 2 6 45.81 1.981 2 0.261 -1 2 21.52 4.129 2 0.42 1 3 1 33.11 2.706 2 0.75 2 2 2 45.83 1.980 2 0.480 1 3 21.59 4.115 2 1.1 1 -4 3 33.44 2.680 2 1.1 1 1 6 45.97 1.974 2 0.430 3 0 21.95 4.049 2 2.9 0 -3 5 33.79 2.652 2 0.42 1 4 3 46.07 1.970 2 0.19

-1 1 2 22.38 3.973 2 0.63 -1 2 4 34.65 2.589 2 1.4 -1 5 3 46.14 1.967 2 0.521 1 1 22.45 3.960 2 1.1 0 4 2 34.74 2.582 2 0.27 -2 -3 2 46.49 1.953 2 0.521 0 2 22.48 3.955 2 0.45 -1 0 5 35.42 2.534 2 0.42 0 -5 6 46.60 1.949 2 0.37

-1 2 1 22.50 3.952 2 4.9 2 -1 0 35.75 2.511 2 5.1 1 5 1 46.64 1.947 2 0.480 -3 2 22.51 3.950 2 2.8 0 -5 1 35.99 2.495 2 0.29 2 3 0 46.79 1.942 2 0.18

-1 -1 2 22.76 3.907 2 0.53 1 3 2 36.05 2.491 2 0.71 2 -5 2 46.96 1.935 2 0.291 -2 2 23.01 3.865 2 0.91 -2 1 1 36.27 2.476 2 0.58 -2 0 5 47.37 1.919 2 0.130 -1 4 24.22 3.674 2 0.21 2 -1 1 36.36 2.471 2 0.15 1 -1 7 47.50 1.914 2 0.160 3 1 24.23 3.673 2 0.68 1 -4 4 36.39 2.469 2 0.14 1 -5 6 48.25 1.886 2 0.330 0 4 24.91 3.574 2 5.5 2 0 0 36.48 2.463 2 0.35 2 3 1 48.29 1.885 2 0.310 -3 3 25.24 3.528 2 4.4 -2 0 1 36.69 2.450 2 0.12 0 -6 5 48.51 1.877 2 0.571 -3 1 25.31 3.518 2 2.2 2 -2 1 36.87 2.438 2 0.49 2 2 3 48.89 1.863 2 0.351 2 0 25.42 3.504 2 4.9 0 -2 6 37.10 2.423 2 0.17 -2 4 3 48.92 1.862 2 0.341 -3 0 25.59 3.480 2 0.56 -1 -4 2 37.11 2.423 2 0.14 -1 -3 7 49.33 1.847 2 0.321 1 2 25.63 3.476 2 1.6 1 -5 1 37.14 2.421 2 0.14 1 -6 5 49.39 1.845 2 0.140 -2 4 25.73 3.462 2 5.3 1 -3 5 37.24 2.415 2 0.80 0 -2 8 49.62 1.837 2 0.21

-1 -1 3 26.08 3.417 2 0.16 1 -5 2 37.42 2.403 2 0.13 1 -4 7 49.71 1.834 2 0.14-1 -2 2 26.27 3.392 2 2.4 0 2 5 37.84 2.378 2 0.26 1 2 6 49.95 1.826 2 0.18

SFN

SSZ-59

504030201002 theta (°)

60

50

40

30

20

10

0

SFO SSZ-51

CHEMICAL COMPOSITION: |F8(C7N2H11)8(H2O)4| [Al32P32O128]

REFINED COMPOSITION: |F8 (C7N2H11)8 O4| [Al32P32O128]

CRYSTAL DATA: C 2/c (No. 15; unique axis b, cell choice 1)a = 21.759 A b = 13.8214 A c = 14.2237 Aα = 90.0◦ β = 98.849◦ γ = 90.0◦


REFERENCE: R. E. Morris, A. Burton, L. M. Bull and S. I. Zones,Chem. Mater. 16 2844–2851 (2004).


1 1 0 7.60 11.626 4 83.3 6 2 0 28.05 3.181 4 6.9 -6 4 2 37.03 2.428 4 5.62 0 0 8.22 10.750 2 100.0 -4 0 4 28.12 3.173 2 7.1 8 2 1 37.36 2.407 4 1.3

-1 1 1 9.46 9.348 4 2.8 -5 3 1 28.39 3.144 4 1.9 -2 0 6 38.04 2.366 2 2.61 1 1 10.27 8.613 4 1.00 0 2 4 28.50 3.132 4 1.0 9 1 0 38.23 2.354 4 1.90 0 2 12.60 7.027 2 76.3 -2 2 4 28.57 3.124 4 3.8 2 4 4 38.35 2.347 4 0.950 2 0 12.81 6.911 2 2.1 0 4 2 28.79 3.101 4 3.3 1 5 3 38.36 2.346 4 1.93 1 0 13.92 6.362 4 65.8 -6 2 2 29.19 3.059 4 4.6 -4 4 4 38.52 2.337 4 2.7

-1 1 2 14.17 6.249 4 93.6 -2 4 2 29.43 3.035 4 11.8 -1 1 6 38.57 2.334 4 5.00 2 1 14.28 6.202 4 2.2 6 0 2 29.68 3.010 2 8.2 0 6 0 39.10 2.304 2 1.72 2 0 15.24 5.813 4 11.1 2 4 2 30.54 2.927 4 5.4 -4 0 6 39.53 2.280 2 1.01 1 2 15.27 5.804 4 1.4 -7 1 2 30.61 2.921 4 7.2 6 4 2 39.71 2.270 4 4.83 1 1 16.06 5.520 4 0.87 4 4 0 30.76 2.907 4 3.2 8 2 2 39.90 2.259 4 3.84 0 0 16.49 5.375 2 4.1 2 2 4 30.81 2.902 4 4.9 -5 3 5 40.58 2.223 4 1.1

-3 1 2 17.48 5.074 4 1.9 -5 1 4 30.97 2.887 4 5.2 2 0 6 40.66 2.219 2 2.2-2 2 2 18.99 4.674 4 45.7 -4 2 4 31.01 2.884 4 3.4 0 2 6 40.67 2.218 4 2.4-4 0 2 19.18 4.627 2 40.3 -6 2 3 31.77 2.817 4 1.2 6 2 4 40.78 2.213 4 1.81 3 0 19.71 4.505 4 57.3 -1 3 4 31.79 2.815 4 3.1 -8 2 4 41.15 2.194 4 1.63 1 2 20.06 4.425 4 34.0 -4 4 2 32.34 2.768 4 2.8 -4 2 6 41.72 2.165 4 2.02 2 2 20.62 4.307 4 23.2 -5 3 3 32.47 2.758 4 2.6 4 4 4 41.96 2.153 4 2.44 2 0 20.94 4.243 4 2.5 5 3 2 32.48 2.756 4 3.7 -10 0 2 42.01 2.151 2 1.11 1 3 21.03 4.225 4 7.1 -2 4 3 32.51 2.754 4 1.2 10 0 0 42.02 2.150 2 2.2

-4 2 1 21.13 4.205 4 4.8 4 0 4 32.52 2.753 2 4.2 2 6 2 42.54 2.125 4 1.24 0 2 22.32 3.984 2 1.8 1 3 4 32.83 2.728 4 2.2 8 4 0 42.62 2.121 4 1.94 2 1 22.61 3.932 4 4.8 -6 0 4 32.84 2.727 2 1.1 9 3 0 42.63 2.121 4 1.13 3 0 22.95 3.875 4 12.3 -3 3 4 32.95 2.718 4 1.9 -6 0 6 42.75 2.115 2 0.88

-1 3 2 23.11 3.849 4 3.4 8 0 0 33.34 2.688 2 0.96 -9 3 2 42.82 2.112 4 1.3-4 2 2 23.13 3.845 4 4.6 -8 0 2 33.83 2.650 2 1.0 -9 1 4 42.88 2.109 4 2.4-3 3 1 23.30 3.818 4 6.4 7 1 2 34.23 2.619 4 1.5 3 1 6 42.93 2.107 4 0.875 1 1 23.45 3.794 4 3.4 -2 2 5 34.26 2.617 4 0.97 -4 6 2 43.91 2.062 4 1.36 0 0 24.85 3.583 2 1.3 4 4 2 34.35 2.610 4 6.6 7 5 0 44.07 2.055 4 2.53 1 3 25.10 3.548 4 0.89 -7 3 1 34.87 2.573 4 1.2 -10 2 2 44.10 2.053 4 2.2

-3 3 2 25.30 3.520 4 2.9 -1 5 2 34.89 2.571 4 13.6 1 3 6 44.15 2.051 4 1.50 0 4 25.35 3.514 2 1.2 -3 5 1 35.02 2.562 4 1.1 -9 3 3 44.42 2.039 4 1.52 2 3 25.39 3.508 4 1.5 7 3 0 35.11 2.556 4 0.90 -7 5 2 44.66 2.029 4 1.9

-2 0 4 25.43 3.503 2 20.4 1 5 2 35.37 2.537 4 10.7 -5 5 4 44.92 2.018 4 3.90 4 0 25.78 3.455 2 31.4 -6 2 4 35.38 2.537 4 1.0 -11 1 1 46.37 1.958 4 0.904 2 2 25.81 3.451 4 17.7 3 5 1 35.74 2.512 4 1.6 9 3 2 46.38 1.958 4 2.3

-1 1 4 25.87 3.444 4 55.4 -7 3 2 35.82 2.507 4 3.3 0 4 6 46.86 1.939 4 1.8-6 0 2 26.12 3.412 2 38.4 3 3 4 35.90 2.502 4 1.3 -8 0 6 47.40 1.918 2 2.65 1 2 26.71 3.338 4 16.9 -5 1 5 35.97 2.497 4 1.1 5 1 6 47.42 1.917 4 0.882 4 0 27.11 3.290 4 2.8 5 1 4 36.00 2.495 4 1.0 -1 7 2 47.86 1.900 4 2.51 1 4 27.12 3.288 4 16.7 6 4 0 36.11 2.487 4 6.3 1 7 2 48.24 1.887 4 1.63 3 2 27.19 3.280 4 5.3 -5 3 4 36.13 2.486 4 1.0 5 5 4 48.72 1.869 4 2.5

-2 4 1 27.55 3.237 4 1.7 -8 2 2 36.31 2.474 4 2.5 -7 5 4 49.00 1.859 4 2.22 0 4 27.90 3.198 2 20.6 -3 5 2 36.44 2.466 4 1.8 9 1 4 49.78 1.831 4 2.1

SFO

SSZ-51

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

SGT 1-aminoadamantane Sigma-2

CHEMICAL COMPOSITION: |(C10H17N)4| [Si64O128]C10H17N = 1-aminoadamantane




REFERENCE: L. B. McCusker,J. Appl. Cryst. 21 305–310 (1988).


1 0 1 9.01 9.813 8 75.0 3 1 6 31.74 2.819 16 5.9 3 1 12 42.11 2.146 16 0.600 0 4 10.29 8.596 2 15.8 3 0 7 31.93 2.803 8 4.0 4 2 6 42.52 2.126 16 3.31 0 3 11.59 7.636 8 7.5 2 2 8 32.33 2.769 8 0.45 4 1 9 43.46 2.082 16 0.031 1 2 13.27 6.672 8 5.3 3 2 3 32.48 2.756 16 8.8 4 0 10 44.11 2.053 8 1.31 0 5 15.52 5.709 8 3.7 3 2 5 34.16 2.625 16 11.6 2 1 15 44.18 2.050 16 0.162 0 0 17.32 5.119 4 1.2 3 1 8 34.69 2.586 16 6.0 5 0 1 44.31 2.044 8 0.562 0 2 18.08 4.906 8 1.9 2 1 11 34.75 2.582 16 3.8 4 3 1 44.31 2.044 16 0.652 1 1 19.56 4.539 16 99.1 1 0 13 35.04 2.561 8 0.96 4 2 8 44.85 2.021 16 0.781 1 6 19.76 4.493 8 100.0 4 0 0 35.06 2.560 4 5.4 4 3 3 44.97 2.016 16 6.91 0 7 20.05 4.429 8 1.4 3 0 9 35.26 2.545 8 0.43 5 0 3 44.97 2.016 8 1.002 0 4 20.19 4.398 8 35.8 4 0 2 35.46 2.532 8 0.47 5 1 2 45.48 1.994 16 2.70 0 8 20.67 4.298 2 10.2 2 0 12 35.92 2.500 8 8.9 1 0 17 45.73 1.984 8 3.42 1 3 20.89 4.252 16 8.1 4 1 1 36.27 2.477 16 0.30 2 0 16 45.79 1.981 8 2.02 0 6 23.30 3.818 8 1.2 3 2 7 36.55 2.458 16 0.25 3 3 10 45.94 1.975 8 1.42 1 5 23.34 3.811 16 12.1 4 0 4 36.63 2.453 8 0.03 4 3 5 46.26 1.963 16 1.22 2 0 24.59 3.620 4 5.2 4 1 3 37.04 2.427 16 0.27 5 0 5 46.26 1.963 8 0.711 0 9 24.88 3.579 8 2.8 3 3 2 37.64 2.390 8 1.5 3 1 14 46.40 1.957 16 2.53 0 1 26.24 3.396 8 20.2 3 1 10 38.18 2.357 16 0.09 5 1 4 46.44 1.955 16 0.012 1 7 26.61 3.349 16 0.19 4 0 6 38.52 2.337 8 0.95 4 1 11 46.72 1.944 16 1.32 2 4 26.72 3.336 8 46.7 4 1 5 38.55 2.336 16 0.06 4 0 12 47.64 1.909 8 0.022 0 8 27.09 3.292 8 25.1 1 1 14 38.72 2.326 8 0.12 4 2 10 47.72 1.906 16 0.383 0 3 27.26 3.271 8 5.9 2 1 13 39.34 2.290 16 0.98 3 0 15 47.80 1.903 8 0.893 1 2 28.04 3.182 16 1.3 4 2 0 39.35 2.289 8 2.5 5 2 1 47.92 1.898 16 1.41 1 10 28.74 3.106 8 1.2 3 2 9 39.54 2.279 16 0.68 5 1 6 48.01 1.895 16 6.73 0 5 29.21 3.057 8 10.4 4 2 2 39.72 2.269 16 1.2 5 0 7 48.14 1.890 8 0.023 1 4 29.48 3.030 16 2.2 2 2 12 40.14 2.247 8 3.0 4 3 7 48.14 1.890 16 1.11 0 11 29.89 2.990 8 15.3 3 3 6 40.56 2.224 8 0.83 5 2 3 48.54 1.876 16 0.092 1 9 30.47 2.933 16 0.61 4 1 7 40.71 2.216 16 5.3 2 1 17 49.25 1.850 16 0.090 0 12 31.22 2.865 2 3.6 2 0 14 40.75 2.214 8 0.20 2 2 16 49.31 1.848 8 0.082 0 10 31.34 2.854 8 2.8 4 2 4 40.79 2.212 16 0.02 1 1 18 49.34 1.847 8 2.23 2 1 31.61 2.830 16 5.3 0 0 16 42.05 2.149 2 0.50 5 2 5 49.75 1.833 16 0.52

SG

T1-am

inoadamantane

Sigm

a-2

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

SIV SIZ-7

CHEMICAL COMPOSITION: [Co12.8Al19.2P32O128]

REFINED COMPOSITION: [Co12.8Al19.2P32O128]


X-ray single crystal refinement, Rw = 0.060, R2w = 0.200

REFERENCE: E. R. Parnham and R. E. Morris,J. Am. Chem. Soc. 128 2204–2205 (2006).


-1 1 1 10.97 8.066 4 32.2 0 2 8 27.88 3.200 4 26.8 3 3 6 37.61 2.391 4 0.381 1 1 11.06 7.998 4 26.8 1 3 6 27.90 3.197 4 3.4 0 0 12 37.75 2.383 2 0.57

-1 1 2 12.17 7.272 4 43.1 -3 1 3 28.16 3.168 4 7.2 0 4 9 37.80 2.380 4 1.80 2 0 12.32 7.186 2 92.5 3 1 3 28.50 3.132 4 4.7 4 2 3 38.50 2.338 4 0.811 1 2 12.34 7.174 4 50.5 -1 3 7 29.91 2.988 4 1.6 0 6 3 38.76 2.323 4 0.500 0 4 12.38 7.148 2 100.0 -1 1 9 29.93 2.986 4 3.4 -3 1 9 38.77 2.323 4 1.30 2 1 12.70 6.969 4 12.1 1 3 7 30.15 2.964 4 1.6 -3 3 7 38.81 2.320 4 0.37

-1 1 3 13.97 6.338 4 18.4 1 1 9 30.24 2.955 4 0.76 4 2 4 39.48 2.282 4 0.411 1 3 14.19 6.241 4 23.1 -3 1 5 30.77 2.906 4 3.1 3 1 9 39.52 2.280 4 1.30 2 3 15.44 5.738 4 9.2 0 2 9 30.77 2.906 4 0.34 0 2 12 39.86 2.262 4 0.502 0 0 17.23 5.147 2 36.6 -2 4 2 30.92 2.892 4 0.34 -3 5 1 41.05 2.199 4 0.570 2 4 17.50 5.068 4 18.0 3 1 5 31.28 2.860 4 3.9 3 5 1 41.13 2.195 4 1.5

-2 0 2 18.21 4.872 2 0.62 -3 3 1 32.19 2.781 4 0.62 -3 1 10 41.19 2.192 4 0.322 0 2 18.43 4.814 2 0.48 3 3 1 32.29 2.772 4 0.65 -3 5 2 41.38 2.182 4 0.75

-1 1 5 18.66 4.756 4 12.0 1 5 0 32.34 2.768 4 0.45 3 5 2 41.54 2.174 4 2.01 1 5 18.93 4.688 4 7.1 -3 1 6 32.46 2.758 4 4.3 -3 5 3 41.97 2.153 4 0.470 2 5 19.84 4.475 4 8.7 -1 5 1 32.48 2.757 4 5.6 3 1 10 41.99 2.152 4 2.1

-1 3 1 20.66 4.299 4 0.39 1 5 1 32.51 2.754 4 3.0 -1 1 13 42.32 2.135 4 0.401 3 1 20.71 4.289 4 0.42 -3 3 2 32.61 2.746 4 2.3 0 4 11 42.94 2.106 4 1.2

-2 0 4 21.08 4.215 2 2.4 -2 2 8 32.70 2.739 4 0.45 0 2 13 43.00 2.103 4 0.532 2 0 21.23 4.184 4 3.5 -2 4 4 32.75 2.734 4 0.72 -2 2 12 43.41 2.085 4 0.52

-1 1 6 21.31 4.169 4 4.6 3 3 2 32.80 2.730 4 8.8 2 6 4 43.66 2.073 4 0.68-1 3 2 21.33 4.165 4 9.1 -1 5 2 32.92 2.721 4 2.2 4 0 8 43.73 2.070 2 0.561 3 2 21.43 4.146 4 15.4 -1 1 10 32.94 2.719 4 7.1 -3 1 11 43.74 2.070 4 0.642 0 4 21.47 4.140 2 1.2 1 5 2 32.99 2.715 4 0.59 3 5 5 44.23 2.048 4 0.471 1 6 21.60 4.114 4 0.63 2 4 4 33.01 2.713 4 1.2 -4 2 8 44.81 2.022 4 1.7

-1 3 3 22.43 3.964 4 1.1 2 2 8 33.22 2.697 4 1.5 -4 4 4 44.95 2.016 4 0.361 3 3 22.56 3.940 4 5.0 1 1 10 33.27 2.693 4 3.4 1 7 0 45.02 2.013 4 0.47

-1 3 4 23.89 3.725 4 0.33 -3 3 3 33.33 2.689 4 1.2 -3 3 10 45.05 2.012 4 0.34-1 1 7 24.09 3.694 4 4.7 3 3 3 33.61 2.666 4 1.0 5 1 2 45.05 2.012 4 0.381 1 7 24.40 3.649 4 3.2 -1 5 3 33.66 2.662 4 1.0 -1 7 1 45.13 2.009 4 1.4

-2 2 4 24.48 3.636 4 1.0 1 5 3 33.76 2.655 4 1.1 1 7 1 45.15 2.008 4 0.530 4 0 24.78 3.593 2 1.4 -3 3 4 34.33 2.612 4 0.34 4 4 4 45.35 2.000 4 2.32 2 4 24.82 3.587 4 3.0 -3 1 7 34.38 2.608 4 2.9 -1 1 14 45.55 1.991 4 2.60 0 8 24.91 3.574 2 0.87 -1 3 9 34.85 2.574 4 0.85 4 2 8 45.61 1.989 4 0.610 2 7 25.08 3.551 4 4.0 4 0 0 34.86 2.574 2 2.8 1 1 14 45.90 1.977 4 0.59

-1 3 5 25.65 3.472 4 1.4 3 1 7 35.03 2.561 4 1.2 4 4 5 46.45 1.955 4 0.351 3 5 25.86 3.445 4 1.4 0 4 8 35.42 2.534 4 6.8 0 6 9 47.54 1.913 4 1.20 4 3 26.51 3.362 4 4.1 -1 5 5 35.97 2.497 4 0.53 1 5 11 48.14 1.890 4 0.42

-3 1 1 26.84 3.322 4 5.7 1 5 5 36.12 2.487 4 0.41 -5 1 6 48.23 1.887 4 0.453 1 1 26.95 3.308 4 7.7 -4 0 4 36.89 2.436 2 0.43 5 3 2 48.67 1.871 4 0.76

-3 1 2 27.33 3.264 4 10.0 -3 3 6 37.09 2.424 4 0.50 -1 7 6 49.05 1.857 4 0.713 1 2 27.56 3.237 4 13.1 4 2 0 37.11 2.423 4 0.76 -1 3 14 49.14 1.854 4 0.36

-1 3 6 27.68 3.223 4 4.3 4 0 4 37.36 2.407 2 0.78 -3 1 13 49.18 1.852 4 0.560 4 4 27.79 3.210 4 27.0 0 6 0 37.55 2.395 2 0.54 0 6 10 49.65 1.836 4 0.33

SIV

SIZ

-7

504030201002 theta (°)

35

30

25

20

15

10

5

0

SOD Sodalite Octahydrate



CRYSTAL DATA: P43n (No. 218)a = 8.848 A b = 8.848 A c = 8.848 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: J. Felsche, S. Luger and Ch. Baerlocher,Zeolites 6 367–372 (1986).


1 1 0 14.16 6.256 12 61.8 2 2 2 35.13 2.554 8 75.7 4 1 1 43.39 2.085 24 19.62 0 0 20.07 4.424 6 15.1 3 2 0 36.62 2.454 24 0.07 4 2 0 45.86 1.978 24 4.92 1 0 22.47 3.957 24 3.6 3 2 1 38.05 2.365 48 13.9 4 2 1 47.06 1.931 48 0.122 1 1 24.65 3.612 24 100.0 4 0 0 40.79 2.212 6 2.7 3 3 2 48.24 1.886 24 7.52 2 0 28.53 3.128 12 19.6 4 1 0 42.11 2.146 24 0.073 1 0 31.99 2.798 24 94.6 3 3 0 43.39 2.085 12 15.8

SO

DSodalite

Octahydrate

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

SOD Bicchulite

CHEMICAL COMPOSITION: |Ca8(OH)8| [Si4Al8O24]Synthetic material

REFINED COMPOSITION: |Ca8(OH)8| [Si4Al8O24]



REFERENCE: K. Sahl,Z. Kristallogr. 152 13–21 (1980).


1 1 0 14.19 6.240 12 0.14 3 1 0 32.07 2.791 24 100.0 3 3 0 43.51 2.080 12 18.32 0 0 20.12 4.412 6 3.3 2 2 2 35.23 2.548 8 27.7 4 1 1 43.51 2.080 24 24.72 1 1 24.71 3.603 24 82.5 3 2 1 38.16 2.359 48 24.3 4 2 0 45.99 1.973 24 5.22 2 0 28.61 3.120 12 7.2 4 0 0 40.90 2.206 6 14.3 3 3 2 48.38 1.881 24 3.2

SO

DBicchulite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

SOD Tugtupite

CHEMICAL COMPOSITION: |Na8Cl2| [Si8Al2Be2O24]Ilimaussaq, South Greenland

REFINED COMPOSITION: |Na8Cl2| [Si8Al2Be2O24]



REFERENCE: I. Hassan and H. D. Grundy,Canadian Mineralogist 29 385–390 (1991).


1 0 1 14.31 6.190 8 66.0 1 3 0 32.78 2.732 4 0.29 4 1 1 44.42 2.039 8 11.21 1 0 14.50 6.109 4 9.6 2 2 2 35.68 2.516 8 33.8 1 4 1 44.42 2.039 8 12.50 0 2 20.01 4.437 2 12.1 1 2 3 38.32 2.349 8 5.6 3 3 0 44.49 2.036 4 14.02 0 0 20.56 4.320 4 3.2 2 1 3 38.32 2.349 8 13.7 2 0 4 45.99 1.973 8 1.81 1 2 24.80 3.590 8 59.5 1 3 2 38.70 2.326 8 5.9 4 0 2 46.78 1.942 8 8.32 1 1 25.14 3.543 8 86.2 3 1 2 38.70 2.326 8 5.2 2 4 0 47.03 1.932 4 1.31 2 1 25.14 3.543 8 100.0 3 2 1 38.93 2.313 8 5.4 4 2 0 47.03 1.932 4 1.32 0 2 28.85 3.095 8 1.2 2 3 1 38.93 2.313 8 11.4 3 2 3 48.92 1.862 8 7.12 2 0 29.24 3.055 4 3.1 0 0 4 40.67 2.218 2 1.00 2 3 3 48.92 1.862 8 1.51 0 3 31.98 2.798 8 8.2 4 0 0 41.82 2.160 4 1.7 3 3 2 49.23 1.851 8 1.23 0 1 32.69 2.739 8 8.9 1 1 4 43.40 2.085 8 16.73 1 0 32.78 2.732 4 5.9 3 0 3 43.88 2.063 8 22.6

SO

DTugtupite

504030201002 theta (°)

40

35

30

25

20

15

10

5

0

SOS SU-16

CHEMICAL COMPOSITION: |(C4H15N3)2+4 | [B8Ge16O48]

REFINED COMPOSITION: |(C4H15N3)4| [B8Ge16O48]



REFERENCE: Y. Li and X. Zou,Angew. Chem., Int. Ed. 117 2048–2051 (2005).


0 0 2 8.65 10.224 2 1.9 -1 2 5 30.55 2.926 4 4.4 -2 1 7 41.28 2.187 4 0.750 1 1 9.47 9.336 4 100.0 1 2 5 30.58 2.923 4 2.7 2 1 7 41.35 2.184 4 0.680 1 2 12.09 7.323 4 8.1 2 2 0 30.91 2.893 4 0.65 1 2 8 41.41 2.180 4 0.361 0 0 12.76 6.936 2 11.8 0 3 4 30.98 2.887 4 2.3 1 3 7 42.38 2.133 4 0.751 1 0 15.31 5.786 4 1.8 2 0 4 31.19 2.868 2 0.35 -3 2 1 42.97 2.105 4 2.9

-1 0 2 15.43 5.744 2 6.8 2 2 1 31.23 2.864 4 0.34 3 2 1 42.98 2.104 4 1.31 0 2 15.45 5.736 2 5.2 0 2 6 31.30 2.858 4 1.4 1 4 5 43.00 2.103 4 1.40 1 3 15.50 5.716 4 8.2 -1 3 3 31.50 2.840 4 0.74 2 4 0 43.24 2.092 4 0.81

-1 1 1 15.91 5.570 4 0.40 0 1 7 31.80 2.814 4 6.4 0 2 9 43.40 2.085 4 0.450 0 4 17.35 5.112 2 6.2 -2 1 4 32.32 2.770 4 1.4 0 4 6 43.54 2.079 4 1.60 2 1 17.45 5.082 4 0.94 -1 3 4 33.62 2.666 4 1.3 -3 2 2 43.67 2.072 4 0.63

-1 1 2 17.60 5.039 4 14.2 1 3 4 33.64 2.664 4 6.2 3 2 2 43.70 2.071 4 1.51 1 2 17.62 5.033 4 0.69 -1 2 6 33.91 2.644 4 1.8 -2 0 8 43.97 2.059 2 0.670 2 2 19.01 4.668 4 0.52 1 2 6 33.94 2.641 4 2.7 2 0 8 44.04 2.056 2 0.411 1 3 20.14 4.408 4 14.8 0 4 0 34.18 2.623 2 0.58 2 2 7 44.08 2.054 4 0.791 2 0 21.23 4.184 4 1.7 -1 1 7 34.37 2.609 4 3.0 -2 4 2 44.18 2.050 4 0.640 2 3 21.37 4.157 4 2.0 0 4 1 34.47 2.602 4 2.5 -3 2 3 44.83 2.022 4 0.611 0 4 21.61 4.112 2 3.2 -2 1 5 34.96 2.567 4 3.1 -2 1 8 44.86 2.021 4 0.93

-1 2 1 21.67 4.100 4 2.1 2 1 5 35.01 2.563 4 4.2 1 5 0 45.14 2.009 4 1.71 2 1 21.68 4.099 4 27.6 0 0 8 35.11 2.556 2 3.8 0 1 10 45.18 2.007 4 1.81 2 2 22.97 3.871 4 0.43 0 2 7 35.16 2.552 4 0.83 -2 4 3 45.33 2.001 4 0.91

-1 1 4 23.20 3.834 4 3.8 0 4 2 35.32 2.541 4 0.32 2 4 3 45.35 2.000 4 0.881 1 4 23.23 3.829 4 1.8 -2 2 4 35.64 2.519 4 3.0 1 2 9 45.44 1.996 4 0.450 1 5 23.34 3.810 4 0.88 0 1 8 36.17 2.483 4 0.73 2 3 6 45.46 1.995 4 1.2

-1 2 3 24.96 3.568 4 6.7 -1 3 5 36.18 2.483 4 0.37 -1 4 6 45.54 1.992 4 1.001 2 3 24.98 3.565 4 0.66 1 3 5 36.20 2.481 4 1.9 3 1 5 45.94 1.975 4 0.370 3 1 25.84 3.448 4 6.8 2 3 1 36.76 2.445 4 1.6 1 0 10 46.31 1.961 2 0.62

-1 1 5 26.68 3.342 4 3.0 -1 4 1 36.89 2.436 4 0.83 -3 2 4 46.42 1.956 4 0.631 1 5 26.71 3.338 4 4.9 1 4 1 36.90 2.436 4 0.46 0 5 4 46.79 1.941 4 0.880 3 2 26.94 3.309 4 16.6 -2 0 6 36.95 2.433 2 1.9 -2 4 4 46.91 1.937 4 0.722 1 0 27.08 3.293 4 0.52 2 0 6 37.01 2.429 2 3.2 3 3 0 47.12 1.929 4 0.66

-2 0 2 27.14 3.286 2 10.8 -1 0 8 37.48 2.400 2 0.59 -1 5 3 47.16 1.927 4 1.52 0 2 27.16 3.283 2 11.9 -1 2 7 37.53 2.396 4 1.0 1 5 3 47.18 1.927 4 0.85

-2 1 1 27.43 3.252 4 2.3 -2 2 5 38.07 2.363 4 0.71 3 3 1 47.34 1.920 4 0.372 1 1 27.44 3.250 4 1.5 -2 3 3 38.87 2.317 4 0.42 0 3 9 47.73 1.905 4 1.2

-1 2 4 27.53 3.239 4 12.9 1 4 3 39.02 2.308 4 0.48 0 2 10 47.74 1.905 4 0.771 2 4 27.56 3.236 4 0.70 -1 3 6 39.11 2.303 4 1.1 -3 3 2 47.99 1.896 4 0.78

-2 1 2 28.46 3.136 4 2.2 3 1 0 39.93 2.258 4 1.3 -2 3 7 48.31 1.884 4 1.31 3 0 28.58 3.123 4 1.1 -3 0 2 39.96 2.256 2 0.86 1 4 7 48.46 1.878 4 0.851 0 6 29.21 3.057 2 4.3 3 0 2 39.99 2.254 2 1.5 -2 1 9 48.65 1.871 4 0.331 3 2 29.92 2.986 4 5.4 -3 1 1 40.17 2.245 4 0.52 2 4 5 48.92 1.862 4 0.57

-2 1 3 30.12 2.967 4 0.63 2 3 4 40.68 2.218 4 0.67 3 3 3 49.10 1.855 4 0.432 1 3 30.16 2.963 4 2.8 -1 4 4 40.78 2.213 4 1.8 1 3 9 49.64 1.837 4 0.39

-1 1 6 30.42 2.938 4 4.8 0 4 5 40.87 2.208 4 0.48 1 2 10 49.64 1.836 4 0.421 1 6 30.46 2.935 4 4.2 2 2 6 40.94 2.204 4 0.82 0 1 11 49.82 1.830 4 0.56

SO

SSU

-16

504030201002 theta (°)

35

30

25

20

15

10

5

0

SSY SSZ-60





REFERENCE: A. Burton and S. Elomari,J. Chem. Soc., Chem. Commun. 2618–2619 (2004).


0 1 0 6.45 13.699 2 81.3 4 3 1 31.11 2.875 8 0.27 10 1 0 41.67 2.167 4 0.111 1 0 7.61 11.622 4 24.7 6 3 0 31.33 2.855 4 1.8 9 1 1 41.71 2.166 8 0.152 0 0 8.06 10.976 2 100.0 0 4 1 31.64 2.828 4 0.24 5 1 2 42.03 2.149 8 0.272 1 0 10.33 8.565 4 49.9 1 4 1 31.91 2.804 8 0.21 8 4 0 42.20 2.141 4 0.210 2 0 12.92 6.850 2 0.28 0 5 0 32.68 2.740 2 1.2 8 3 1 42.45 2.129 8 0.383 1 0 13.72 6.454 4 0.45 2 4 1 32.70 2.738 8 0.36 5 5 1 42.89 2.109 8 0.432 2 0 15.25 5.811 4 1.3 6 2 1 33.01 2.713 8 0.75 3 3 2 42.98 2.104 8 0.174 0 0 16.15 5.488 2 1.1 5 4 0 33.18 2.700 4 0.65 7 4 1 43.07 2.100 8 0.144 1 0 17.41 5.094 4 6.3 8 1 0 33.30 2.690 4 0.74 10 2 0 43.28 2.090 4 0.563 2 0 17.74 5.000 4 5.3 5 3 1 33.49 2.676 8 0.39 9 2 1 43.32 2.089 8 0.161 0 1 18.15 4.886 4 2.1 7 0 1 33.71 2.658 4 0.79 0 6 1 43.56 2.078 4 0.870 1 1 18.85 4.707 4 0.12 2 5 0 33.72 2.658 4 0.98 5 2 2 43.64 2.074 8 0.361 1 1 19.29 4.602 8 13.2 3 4 1 33.99 2.638 8 2.1 1 6 1 43.76 2.068 8 0.190 3 0 19.44 4.566 2 3.6 7 1 1 34.36 2.610 8 0.53 6 0 2 43.79 2.067 4 1.31 3 0 19.86 4.471 4 1.2 7 3 0 34.70 2.585 4 0.15 2 6 1 44.37 2.041 8 0.272 1 1 20.53 4.326 8 16.9 4 4 1 35.72 2.514 8 0.35 4 3 2 44.42 2.040 8 0.384 2 0 20.74 4.283 4 5.6 0 0 2 35.83 2.506 2 7.9 5 6 0 44.74 2.026 4 0.182 3 0 21.07 4.216 4 0.39 6 3 1 36.21 2.481 8 0.49 1 4 2 45.01 2.014 8 0.595 1 0 21.25 4.181 4 0.10 7 2 1 36.25 2.478 8 1.3 6 5 1 45.13 2.009 8 0.813 0 1 21.49 4.135 4 6.7 0 1 2 36.45 2.465 4 0.58 3 6 1 45.37 1.999 8 0.380 2 1 21.97 4.045 4 0.15 4 5 0 36.66 2.451 4 0.47 10 1 1 45.60 1.989 8 0.241 2 1 22.35 3.978 8 16.4 1 1 2 36.68 2.450 8 0.33 2 4 2 45.61 1.989 8 0.533 1 1 22.46 3.959 8 14.2 2 0 2 36.79 2.443 4 0.93 10 3 0 45.87 1.978 4 0.123 3 0 22.96 3.874 4 0.28 2 1 2 37.39 2.405 8 0.51 9 3 1 45.90 1.977 8 0.202 2 1 23.44 3.795 8 8.7 0 5 1 37.41 2.404 4 0.99 8 4 1 46.09 1.969 8 0.205 2 0 24.08 3.696 4 3.5 1 5 1 37.64 2.390 8 0.42 5 3 2 46.21 1.965 8 0.756 0 0 24.33 3.659 2 9.9 5 4 1 37.84 2.377 8 1.2 3 4 2 46.59 1.949 8 0.304 1 1 24.92 3.573 8 3.5 8 1 1 37.96 2.370 8 2.7 4 6 1 46.75 1.943 8 0.343 2 1 25.16 3.540 8 2.2 8 3 0 38.27 2.352 4 0.15 7 1 2 46.88 1.938 8 0.206 1 0 25.19 3.535 4 5.8 2 5 1 38.33 2.348 8 0.74 6 6 0 46.91 1.937 4 1.14 3 0 25.37 3.510 4 3.6 3 1 2 38.54 2.336 8 0.14 10 2 1 47.10 1.929 8 0.120 4 0 26.02 3.425 2 6.0 7 4 0 38.94 2.313 4 0.11 2 7 0 47.17 1.927 4 0.151 4 0 26.34 3.384 4 1.4 7 3 1 39.21 2.297 8 0.28 11 2 0 47.45 1.916 4 0.681 3 1 26.72 3.336 8 4.2 3 5 1 39.45 2.284 8 1.3 7 5 1 47.66 1.908 8 1.45 0 1 27.00 3.302 4 3.1 0 6 0 39.47 2.283 2 0.10 4 4 2 47.94 1.898 8 0.552 4 0 27.28 3.269 4 7.7 4 0 2 39.53 2.280 4 0.22 3 7 0 48.13 1.891 4 0.104 2 1 27.39 3.256 8 0.34 1 6 0 39.69 2.271 4 0.25 7 2 2 48.35 1.882 8 0.102 3 1 27.65 3.226 8 0.63 8 2 1 39.69 2.271 8 0.95 8 0 2 49.24 1.850 4 0.375 1 1 27.79 3.210 8 3.9 6 4 1 40.31 2.237 8 0.15 9 4 1 49.34 1.847 8 0.445 3 0 28.20 3.165 4 8.7 4 5 1 40.99 2.202 8 0.33 7 6 0 49.37 1.846 4 0.263 4 0 28.78 3.102 4 0.31 0 3 2 41.08 2.197 4 0.11 4 7 0 49.44 1.843 4 0.263 3 1 29.13 3.065 8 0.43 10 0 0 41.12 2.195 2 0.15 1 5 2 49.46 1.843 8 0.257 1 0 29.21 3.057 4 0.41 9 0 1 41.16 2.193 4 0.15 5 4 2 49.63 1.837 8 0.204 4 0 30.77 2.905 4 1.4 1 3 2 41.30 2.186 8 0.43 8 1 2 49.72 1.834 8 0.466 1 1 30.96 2.889 8 0.56 3 6 0 41.43 2.180 4 0.36 11 3 0 49.87 1.829 4 2.2

SSY

SSZ-60

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

STF SSZ-35, Calcined





REFERENCE: P. Wagner, S. I. Zones, M. E. Davis and R. C. Medrud,Angew. Chem., Int. Ed. 38 1269–1272 (1999).


0 1 0 7.99 11.068 2 98.4 -1 1 2 26.19 3.403 2 1.6 3 2 1 36.97 2.431 2 0.191 0 0 8.09 10.929 2 100.0 1 -1 2 26.52 3.361 2 1.9 0 0 3 37.01 2.429 2 0.641 -1 0 9.73 9.091 2 22.8 0 1 2 26.61 3.349 2 2.4 -1 -1 3 37.29 2.412 2 1.60 0 1 12.15 7.286 2 8.4 -2 -2 1 26.80 3.327 2 2.8 1 -4 2 38.27 2.352 2 0.251 1 0 12.82 6.905 2 2.0 1 0 2 26.81 3.325 2 1.3 -2 0 3 38.49 2.339 2 0.24

-1 0 1 13.67 6.476 2 6.3 1 3 0 27.51 3.242 2 0.26 2 2 2 38.61 2.332 2 0.220 -1 1 13.77 6.430 2 6.5 -2 0 2 27.55 3.238 2 4.4 -3 -3 1 39.17 2.300 2 0.500 1 1 15.30 5.791 2 0.49 -3 2 1 27.60 3.231 2 0.19 -4 2 2 39.36 2.289 2 0.19

-1 1 1 15.45 5.737 2 1.6 0 -2 2 27.75 3.215 2 4.1 -1 -2 3 39.53 2.280 2 0.301 0 1 15.49 5.719 2 0.17 2 -3 1 27.85 3.203 2 0.94 -2 -4 1 40.38 2.234 2 0.241 -1 1 15.72 5.636 2 1.1 0 3 1 28.33 3.150 2 0.38 -1 -4 2 40.63 2.220 2 0.211 -2 0 15.89 5.577 2 0.51 -3 -1 1 28.61 3.120 2 0.37 0 5 0 40.76 2.214 2 0.160 2 0 16.02 5.534 2 0.18 -2 -1 2 29.18 3.060 2 0.44 -5 2 1 40.88 2.207 2 0.162 -1 0 16.05 5.523 2 0.30 1 1 2 29.44 3.034 2 1.8 5 0 0 41.30 2.186 2 0.312 0 0 16.22 5.464 2 0.18 3 -3 0 29.48 3.030 2 3.9 -4 4 1 41.40 2.181 2 0.27

-2 0 1 18.95 4.683 2 1.6 -1 2 2 29.91 2.988 2 1.9 -5 0 1 41.51 2.175 2 0.320 -2 1 19.00 4.670 2 1.3 2 2 1 30.32 2.948 2 3.2 3 -5 0 41.67 2.167 2 0.381 1 1 19.03 4.663 2 7.6 2 -1 2 30.44 2.937 2 1.6 -2 2 3 41.85 2.159 2 0.31

-2 1 1 19.39 4.578 2 9.3 0 2 2 30.88 2.896 2 0.26 4 -4 1 41.85 2.158 2 0.482 -2 0 19.53 4.545 2 2.5 1 -4 0 31.14 2.872 2 0.26 5 -3 0 42.02 2.150 2 0.401 -2 1 19.60 4.530 2 14.2 4 -1 0 31.55 2.835 2 0.38 2 -2 3 42.52 2.126 2 0.241 2 0 19.83 4.477 2 4.2 3 -3 1 32.20 2.780 2 0.61 3 3 1 43.01 2.103 2 2.52 1 0 19.96 4.449 2 6.8 0 4 0 32.35 2.767 2 1.2 3 -5 1 43.17 2.095 2 0.44

-1 2 1 20.50 4.333 2 0.29 4 -2 0 32.42 2.761 2 0.36 0 5 1 44.09 2.054 2 0.630 2 1 21.23 4.184 2 0.20 4 0 0 32.78 2.732 2 0.92 -3 2 3 44.14 2.052 2 0.39

-1 -2 1 21.72 4.091 2 0.93 -2 -2 2 32.85 2.727 2 0.55 -5 1 2 44.63 2.030 2 0.34-2 -1 1 21.74 4.089 2 2.8 3 2 0 32.86 2.726 2 0.18 1 -5 2 44.79 2.024 2 0.43-2 2 1 22.87 3.888 2 6.7 -2 -3 1 33.19 2.699 2 0.32 2 -3 3 44.84 2.021 2 0.372 -2 1 23.25 3.825 2 4.5 0 -4 1 33.31 2.690 2 0.70 5 0 1 44.86 2.020 2 0.331 -3 0 23.29 3.820 2 2.3 -4 0 1 33.45 2.679 2 2.0 -2 3 3 45.82 1.980 2 0.163 -1 0 23.57 3.774 2 2.4 -4 2 1 33.79 2.652 2 0.23 -4 -3 1 46.07 1.970 2 0.460 3 0 24.12 3.689 2 0.43 2 -4 1 33.89 2.645 2 1.2 -4 1 3 46.48 1.954 2 0.410 0 2 24.43 3.643 2 0.25 -1 4 1 34.50 2.600 2 0.56 3 -2 3 46.70 1.945 2 0.223 0 0 24.43 3.643 2 0.88 -2 4 1 34.98 2.565 2 0.17 -5 4 1 46.72 1.944 2 0.70

-1 0 2 24.70 3.604 2 4.0 2 -3 2 35.01 2.563 2 0.65 4 -5 1 47.00 1.933 2 0.751 2 1 24.82 3.587 2 4.5 3 -4 0 35.07 2.559 2 0.45 0 3 3 47.07 1.930 2 0.230 -1 2 24.85 3.583 2 3.4 4 -1 1 35.20 2.549 2 0.38 -3 3 3 47.55 1.912 2 0.232 1 1 25.01 3.560 2 2.9 -1 3 2 35.22 2.548 2 1.5 -4 2 3 47.89 1.899 2 0.352 -3 0 25.24 3.528 2 3.2 4 -3 0 35.24 2.546 2 0.34 -5 -2 1 48.40 1.881 2 0.283 -2 0 25.41 3.505 2 2.1 -2 3 2 35.82 2.507 2 0.18 2 -6 1 48.41 1.880 2 0.28

-3 1 1 25.47 3.497 2 2.1 3 -1 2 35.93 2.499 2 0.42 3 -3 3 48.46 1.879 2 0.311 -3 1 25.55 3.486 2 1.9 0 4 1 36.00 2.494 2 0.86 2 2 3 49.10 1.855 2 0.230 -3 1 25.80 3.453 2 2.2 4 0 1 36.64 2.453 2 0.84 -4 -3 2 49.25 1.850 2 0.432 2 0 25.80 3.453 2 6.8 -1 0 3 36.82 2.441 2 0.26 -1 -1 4 49.74 1.833 2 0.61

-3 0 1 25.84 3.448 2 2.4 -4 3 1 36.84 2.439 2 0.17 3 4 1 49.90 1.828 2 0.29

ST

FSSZ-35,

Calcined

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

STI Stilbite

CHEMICAL COMPOSITION: |Na1.28Ca4.18Mg0.18(H2O)34.1| [Si25.7Al10.3O72]Iceland

REFINED COMPOSITION: |Na1.76Ca4(H2O)29.4| [Si25.68Al10.32O72]



REFERENCE: E. Galli,Acta Cryst. B27 833–841 (1971).


-1 1 1 9.46 9.349 4 0.61 1 3 2 29.93 2.985 4 14.6 -6 2 3 40.91 2.206 4 1.60 2 0 9.70 9.120 2 100.0 0 0 3 30.19 2.960 2 5.5 3 1 2 41.27 2.187 4 1.10 0 1 9.96 8.881 2 24.7 0 6 1 31.09 2.876 4 2.3 -5 5 3 41.60 2.171 4 0.53

-2 0 1 12.98 6.819 2 4.2 0 2 3 31.78 2.816 4 4.4 -5 5 2 41.71 2.165 4 1.40 2 1 13.92 6.363 4 4.0 -3 5 1 31.89 2.806 4 6.0 0 2 4 41.88 2.157 4 2.7

-2 2 1 16.23 5.461 4 2.5 -3 1 4 32.15 2.784 4 1.2 0 6 3 42.63 2.121 4 5.7-2 0 2 16.28 5.444 2 5.3 -2 6 1 32.24 2.777 4 26.1 -2 0 5 42.66 2.119 2 1.72 0 0 16.49 5.374 2 4.8 3 1 1 32.57 2.749 4 2.3 -2 8 2 43.01 2.103 4 4.1

-1 3 1 16.70 5.308 4 7.7 -2 0 4 32.82 2.729 2 1.6 2 8 0 43.10 2.099 4 0.601 3 0 16.75 5.292 4 3.1 -4 0 4 32.90 2.722 2 19.0 -3 3 5 43.24 2.092 4 0.56

-1 1 2 16.96 5.229 4 2.6 4 0 0 33.34 2.687 2 2.2 -1 7 3 43.53 2.079 4 1.4-2 2 2 18.98 4.674 4 39.7 -4 4 1 34.46 2.602 4 1.8 1 7 2 43.64 2.074 4 0.482 2 0 19.17 4.630 4 41.4 2 2 2 34.62 2.591 4 9.6 -2 2 5 43.85 2.064 4 4.30 4 0 19.47 4.560 2 2.4 4 2 0 34.80 2.578 4 3.3 -1 5 4 43.90 2.063 4 2.00 0 2 20.00 4.440 2 5.8 -3 5 3 34.87 2.573 4 9.9 -5 5 4 44.03 2.057 4 0.97

-3 1 2 20.68 4.294 4 28.0 -3 3 4 35.10 2.556 4 5.1 1 5 3 44.05 2.056 4 2.9-3 1 1 20.81 4.268 4 12.2 3 5 0 35.11 2.556 4 8.2 -5 3 5 44.18 2.050 4 6.3-1 3 2 21.88 4.061 4 61.9 1 7 0 35.45 2.532 4 2.4 2 2 3 44.20 2.049 4 1.10 4 1 21.91 4.057 4 35.8 3 3 1 35.49 2.529 4 2.1 -5 5 1 44.35 2.042 4 2.01 3 1 22.00 4.039 4 60.4 0 6 2 35.80 2.508 4 4.9 -6 4 3 44.54 2.034 4 2.20 2 2 22.27 3.992 4 14.5 -1 5 3 35.83 2.506 4 0.51 -2 6 4 44.62 2.031 4 1.5

-2 4 1 23.47 3.791 4 2.4 0 4 3 36.18 2.483 4 4.6 0 8 2 44.68 2.028 4 1.9-2 0 3 23.76 3.744 2 12.3 -1 1 4 36.26 2.477 4 0.50 5 3 0 44.71 2.027 4 7.72 0 1 24.06 3.699 2 13.2 -5 3 3 36.39 2.469 4 3.1 4 6 0 45.03 2.013 4 0.41

-3 1 3 25.02 3.560 4 0.48 -5 1 4 36.41 2.467 4 3.3 -6 0 1 45.04 2.013 2 1.2-3 3 1 25.02 3.559 4 1.8 1 1 3 36.44 2.466 4 2.6 4 4 1 45.43 1.997 4 2.4-2 4 2 25.48 3.496 4 2.2 -5 3 2 36.52 2.461 4 4.2 0 4 4 45.43 1.996 4 0.722 4 0 25.62 3.477 4 6.2 -5 1 1 36.79 2.443 4 9.2 -6 2 5 45.69 1.986 4 0.911 5 0 25.79 3.454 4 2.4 -2 6 3 38.13 2.360 4 3.9 -6 4 2 45.88 1.978 4 2.12 2 1 26.00 3.427 4 4.0 -1 7 2 38.28 2.351 4 2.1 -2 8 3 46.64 1.947 4 0.46

-4 0 2 26.13 3.410 2 22.4 2 6 1 38.33 2.349 4 1.8 -7 1 4 47.12 1.929 4 0.93-1 1 3 26.30 3.389 4 11.3 1 7 1 38.35 2.347 4 2.1 -2 4 5 47.29 1.922 4 1.11 1 2 26.47 3.368 4 8.7 -2 4 4 38.44 2.342 4 0.68 -1 9 2 47.88 1.900 4 0.93

-4 0 3 27.90 3.197 2 16.4 2 4 2 38.73 2.325 4 0.54 1 9 1 47.94 1.898 4 1.8-4 2 2 27.94 3.194 4 25.1 4 4 0 38.90 2.315 4 3.6 -4 8 2 48.00 1.895 4 2.60 4 2 28.05 3.181 4 4.7 -5 3 4 39.09 2.304 4 0.79 3 5 2 48.25 1.886 4 1.9

-4 0 1 28.16 3.169 2 14.6 1 3 3 39.11 2.303 4 2.3 -5 7 3 48.54 1.875 4 4.6-3 3 3 28.64 3.116 4 9.3 -6 0 3 39.65 2.273 2 3.8 -4 0 6 48.64 1.872 2 0.603 3 0 28.92 3.087 4 3.7 -4 0 5 40.07 2.250 2 1.4 -5 5 5 48.70 1.870 4 3.60 6 0 29.38 3.040 2 4.8 -3 7 1 40.25 2.241 4 1.4 -5 1 6 48.95 1.861 4 0.60

-1 5 2 29.45 3.033 4 24.4 -3 5 4 40.45 2.230 4 2.4 5 5 0 49.20 1.852 4 1.31 5 1 29.54 3.024 4 28.1 4 0 1 40.62 2.221 2 1.0 -4 8 1 49.23 1.851 4 0.80

-4 2 3 29.60 3.017 4 10.2 0 0 4 40.63 2.220 2 2.0 -7 3 4 49.31 1.848 4 1.4-1 3 3 29.78 3.000 4 10.4 -3 1 5 40.79 2.212 4 1.7 -3 9 2 49.48 1.842 4 0.82-4 2 1 29.85 2.993 4 5.1 3 5 1 40.80 2.212 4 1.3 5 1 1 49.65 1.836 4 1.8

ST

IStilbite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

STI Stellerite

CHEMICAL COMPOSITION: |Ca7.56Mg0.06Sr0.02Na0.34K0.28(H2O)56.2| [Si56.04Al15.86Fe0.12O144]Villanova-Monteleone, Sardinia, Italy

REFINED COMPOSITION: |Ca8(H2O)55.52| [Si56Al16O144]



REFERENCE: E. Galli and A. Alberti,Bull. Soc. Fr. Mineral. Crystallogr. 98 11–18 (1975).


1 1 1 9.51 9.304 8 2.7 2 6 0 32.28 2.773 4 18.2 6 2 2 42.32 2.136 8 0.010 2 0 9.71 9.111 2 100.0 2 0 6 32.84 2.727 4 0.07 0 6 6 42.52 2.126 4 3.00 0 2 9.90 8.932 2 36.2 4 4 0 32.87 2.725 4 0.04 2 0 8 42.62 2.121 4 0.772 0 0 13.02 6.799 2 0.22 4 0 4 33.12 2.705 4 13.5 3 7 3 42.84 2.111 8 0.040 2 2 13.88 6.378 4 1.5 5 1 1 33.69 2.660 8 0.60 2 8 2 43.09 2.099 8 2.32 2 0 16.27 5.449 4 6.3 2 6 2 33.85 2.648 8 0.12 3 3 7 43.33 2.088 8 0.802 0 2 16.38 5.410 4 14.7 2 2 6 34.32 2.613 8 6.6 1 7 5 43.53 2.079 8 1.11 3 1 16.74 5.297 8 7.1 4 4 2 34.41 2.606 8 3.2 2 2 8 43.82 2.066 8 3.31 1 3 16.97 5.225 8 3.4 4 2 4 34.59 2.593 8 2.3 1 5 7 43.82 2.066 8 5.62 2 2 19.08 4.652 8 80.2 3 5 3 35.00 2.564 8 13.8 5 5 3 44.25 2.047 8 1.80 4 0 19.49 4.556 2 2.8 3 3 5 35.23 2.547 8 4.5 5 3 5 44.44 2.039 8 11.40 0 4 19.88 4.466 2 3.2 1 7 1 35.47 2.531 8 1.3 6 4 0 44.65 2.029 4 0.733 1 1 20.80 4.271 8 35.5 0 6 4 35.75 2.511 4 3.0 2 6 6 44.66 2.029 8 0.691 3 3 21.90 4.058 8 90.3 1 5 5 35.81 2.507 8 0.42 0 8 4 44.66 2.029 4 2.00 4 2 21.90 4.058 4 31.4 0 4 6 36.04 2.492 4 4.2 6 0 4 44.84 2.021 4 0.710 2 4 22.17 4.010 4 12.7 1 1 7 36.15 2.485 8 2.7 4 6 4 44.87 2.020 8 0.342 4 0 23.51 3.785 4 1.5 5 3 1 36.55 2.459 8 0.14 4 4 6 45.11 2.010 8 1.12 0 4 23.84 3.733 4 21.8 5 1 3 36.66 2.451 8 6.1 0 4 8 45.22 2.005 4 0.363 3 1 25.01 3.560 8 0.56 2 6 4 38.20 2.356 8 3.5 6 4 2 45.86 1.979 8 1.13 1 3 25.17 3.538 8 0.56 1 7 3 38.31 2.349 8 3.1 6 2 4 46.00 1.973 8 1.42 4 2 25.56 3.485 8 7.6 2 4 6 38.47 2.340 8 0.51 1 1 9 46.51 1.953 8 0.782 2 4 25.79 3.454 8 1.5 4 4 4 38.71 2.326 8 1.3 2 8 4 46.72 1.944 8 0.141 5 1 25.79 3.454 8 0.15 1 3 7 38.85 2.318 8 2.3 2 4 8 47.26 1.923 8 0.064 0 0 26.21 3.400 2 16.0 5 3 3 39.32 2.291 8 0.05 7 1 1 47.33 1.921 8 0.101 1 5 26.25 3.395 8 15.0 6 0 0 39.77 2.266 2 3.7 3 5 7 47.92 1.898 8 0.690 4 4 27.98 3.189 4 3.0 4 6 0 39.80 2.265 4 0.12 1 9 3 47.93 1.898 8 1.74 2 0 28.01 3.185 4 21.9 4 0 6 40.26 2.240 4 2.1 4 8 0 48.08 1.892 4 3.14 0 2 28.08 3.177 4 24.1 3 7 1 40.27 2.240 8 0.59 5 7 1 48.68 1.870 8 1.73 3 3 28.79 3.101 8 11.1 0 0 8 40.39 2.233 2 2.0 1 3 9 48.73 1.869 8 0.130 6 0 29.41 3.037 2 5.2 3 5 5 40.58 2.223 8 2.4 4 0 8 48.79 1.866 4 0.211 5 3 29.48 3.030 8 45.7 3 1 7 40.88 2.207 8 2.8 5 5 5 48.95 1.861 8 2.81 3 5 29.75 3.003 8 22.7 6 2 0 41.04 2.199 4 1.8 5 1 7 49.21 1.851 8 2.54 2 2 29.78 3.000 8 11.7 6 0 2 41.09 2.197 4 0.02 4 8 2 49.22 1.851 8 0.790 0 6 30.01 2.977 2 3.4 4 6 2 41.11 2.195 8 0.34 6 4 4 49.33 1.847 8 0.222 4 4 30.97 2.887 8 0.12 4 2 6 41.52 2.175 8 0.06 7 3 1 49.52 1.841 8 0.500 6 2 31.10 2.875 4 3.0 0 2 8 41.64 2.169 4 1.6 3 9 1 49.57 1.839 8 0.430 2 6 31.62 2.830 4 2.5 5 5 1 41.75 2.164 8 0.06 7 1 3 49.61 1.837 8 0.333 5 1 31.90 2.805 8 1.6 2 8 0 41.82 2.160 4 0.02 4 2 8 49.88 1.828 8 0.363 1 5 32.28 2.773 8 3.8 5 1 5 42.04 2.149 8 1.3

ST

IStellerite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

STI Barrerite

CHEMICAL COMPOSITION: |Na10.9K2.1Mg0.3Ca1.7(H2O)51.6| [Si55.6Al16.4O144]Capo Pula, Sardinia, Italy

REFINED COMPOSITION: |Na9.812K1.912Mg0.032Ca1.52(H2O)58.56| [Si55.58Al16.42O144]

CRYSTAL DATA: Amma (No. 63; cab setting)a = 13.643 A b = 18.200 A c = 17.842 Aα = 90◦ β = 90◦ γ = 90◦




0 1 1 6.94 12.741 4 3.1 4 2 2 29.71 3.007 8 16.5 3 1 7 40.89 2.207 8 1.41 1 1 9.50 9.312 8 5.0 3 2 4 29.72 3.006 8 0.39 6 2 0 40.91 2.206 4 0.850 2 0 9.72 9.100 2 100.0 1 3 5 29.78 3.000 8 25.0 0 8 2 40.94 2.204 4 0.290 0 2 9.91 8.921 2 48.5 0 0 6 30.05 2.974 2 4.2 3 4 6 41.35 2.184 8 0.571 0 2 11.85 7.466 4 0.47 4 1 3 30.61 2.920 8 0.20 4 2 6 41.49 2.176 8 0.172 0 0 12.98 6.821 2 5.6 2 4 4 30.98 2.886 8 0.46 5 5 1 41.68 2.167 8 0.352 1 1 14.73 6.014 8 0.36 0 6 2 31.14 2.872 4 0.82 0 2 8 41.70 2.166 4 1.10 3 1 15.43 5.744 4 1.0 0 2 6 31.65 2.827 4 2.8 5 1 5 41.98 2.152 8 2.12 2 0 16.24 5.458 4 0.43 1 6 2 31.84 2.810 8 0.83 6 2 2 42.20 2.142 8 0.242 0 2 16.36 5.419 4 2.2 3 5 1 31.89 2.806 8 2.7 0 6 6 42.57 2.123 4 3.61 3 1 16.75 5.294 8 4.7 3 1 5 32.26 2.775 8 1.7 2 0 8 42.65 2.120 4 0.361 1 3 16.98 5.223 8 9.6 2 6 0 32.30 2.772 4 15.7 0 7 5 43.04 2.101 4 0.192 2 2 19.06 4.656 8 41.0 4 4 0 32.82 2.729 4 0.21 2 8 2 43.12 2.098 8 1.30 4 0 19.51 4.550 2 1.1 4 0 4 33.06 2.709 4 10.7 3 3 7 43.34 2.088 8 1.60 0 4 19.90 4.460 2 2.6 5 1 1 33.59 2.668 8 1.5 1 7 5 43.58 2.077 8 0.672 3 1 20.21 4.394 8 0.18 2 6 2 33.87 2.647 8 0.84 5 4 4 43.68 2.072 8 0.163 1 1 20.74 4.283 8 26.5 2 2 6 34.34 2.611 8 7.3 2 2 8 43.85 2.065 8 2.00 3 3 20.92 4.247 4 0.57 4 4 2 34.36 2.610 8 0.98 1 5 7 43.87 2.064 8 2.31 0 4 20.95 4.240 4 0.18 4 2 4 34.54 2.597 8 3.5 4 7 1 44.09 2.054 8 0.301 3 3 21.92 4.055 8 69.6 0 7 1 34.87 2.573 4 0.56 5 5 3 44.19 2.050 8 0.840 4 2 21.93 4.053 4 17.0 3 5 3 34.99 2.564 8 11.0 5 3 5 44.38 2.041 8 7.83 0 2 21.94 4.052 4 0.21 3 3 5 35.23 2.548 8 2.8 6 4 0 44.54 2.034 4 1.60 2 4 22.19 4.005 4 8.7 1 7 1 35.51 2.528 8 0.64 2 6 6 44.69 2.028 8 0.681 4 2 22.89 3.885 8 0.44 0 1 7 35.56 2.524 4 0.25 0 8 4 44.72 2.027 4 1.21 2 4 23.14 3.843 8 0.32 0 6 4 35.80 2.508 4 4.1 6 0 4 44.73 2.026 4 0.192 4 0 23.50 3.785 4 0.20 0 4 6 36.08 2.489 4 3.7 4 6 4 44.85 2.021 8 0.712 0 4 23.83 3.733 4 28.1 1 1 7 36.19 2.482 8 0.36 4 4 6 45.09 2.011 8 1.42 3 3 24.69 3.605 8 0.47 4 5 1 36.45 2.465 8 0.26 0 9 1 45.12 2.009 4 0.293 3 1 24.97 3.565 8 1.8 5 3 1 36.45 2.465 8 0.64 0 4 8 45.28 2.003 4 0.150 1 5 25.44 3.502 4 0.35 5 1 3 36.57 2.457 8 5.3 3 8 2 45.74 1.984 8 0.262 4 2 25.56 3.485 8 16.5 1 4 6 36.70 2.449 8 0.25 6 4 2 45.75 1.983 8 0.712 2 4 25.79 3.454 8 0.26 4 1 5 36.78 2.443 8 0.35 1 4 8 45.79 1.981 8 0.284 0 0 26.13 3.411 2 18.5 2 5 5 37.68 2.387 8 0.16 6 2 4 45.89 1.977 8 0.341 1 5 26.27 3.392 8 13.2 2 6 4 38.23 2.354 8 2.2 1 9 3 47.98 1.896 8 1.04 1 1 27.06 3.295 8 0.19 1 7 3 38.35 2.347 8 1.5 2 1 9 48.05 1.893 8 0.184 2 0 27.94 3.194 4 18.9 2 4 6 38.50 2.338 8 0.27 4 8 0 48.07 1.893 4 1.64 0 2 28.01 3.186 4 19.7 4 4 4 38.68 2.328 8 0.59 5 7 1 48.64 1.872 8 1.10 4 4 28.01 3.185 4 3.9 5 0 4 38.68 2.328 4 0.36 5 5 5 48.90 1.862 8 4.53 0 4 28.02 3.184 4 0.20 1 3 7 38.89 2.316 8 0.24 5 1 7 49.17 1.853 8 1.12 5 1 28.23 3.161 8 1.6 6 0 0 39.64 2.274 2 2.7 4 8 2 49.21 1.851 8 0.172 1 5 28.65 3.115 8 0.23 4 6 0 39.77 2.267 4 0.45 6 4 4 49.23 1.851 8 0.603 3 3 28.76 3.104 8 15.1 4 0 6 40.23 2.241 4 1.5 7 3 1 49.38 1.846 8 0.260 6 0 29.45 3.033 2 3.1 3 7 1 40.27 2.239 8 0.32 7 1 3 49.47 1.843 8 0.921 5 3 29.51 3.027 8 56.1 0 0 8 40.44 2.230 2 2.2 3 9 1 49.60 1.838 8 0.223 4 2 29.52 3.026 8 0.81 3 5 5 40.58 2.223 8 1.5 4 2 8 49.87 1.829 8 0.66

ST

IBarrerite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

STT SSZ-23

CHEMICAL COMPOSITION: |(C13H24N)4.1F3.3(OH)0.8(H2O)1.6| [Si64O128]C13H24NF = N,N,N -trimethyl-1-adamantammonium fluoride

REFINED COMPOSITION: |C52N4F2.84| [Si64O128]

CRYSTAL DATA: P1 21/n 1 (No. 14; unique axis b, cell choice 2)a = 12.9594 A b = 21.7919 A c = 13.5980 Aα = 90.0◦ β = 101.855◦ γ = 90.0◦

X-ray single crystal refinement, RFobs= 0.0811, wRF2 = 0.1657

REFERENCE: M. A. Camblor, M.-J. Diaz-Cabanas, J. Perez-Pariente, S. J. Teat,W. Clegg, I. J. Shannon, P. Lightfoot, P. A. Wright and R. E. Morris,Angew. Chem., Int. Ed. 37 2122–2126 (1998).


1 1 0 8.07 10.962 4 11.0 1 1 3 22.92 3.879 4 12.3 1 3 4 31.66 2.826 4 3.20 2 0 8.11 10.896 2 100.0 2 4 1 23.38 3.805 4 15.4 -3 2 4 31.70 2.823 4 2.6

-1 0 1 8.59 10.298 2 25.2 3 1 1 23.71 3.753 4 6.4 0 6 3 31.84 2.810 4 3.1-1 1 1 9.50 9.311 4 70.5 -2 4 2 23.78 3.742 4 11.2 -1 7 2 31.91 2.805 4 3.60 2 1 10.49 8.431 4 17.5 -3 3 1 24.08 3.695 4 3.7 2 7 0 32.03 2.795 4 4.91 0 1 10.58 8.363 2 44.6 2 3 2 24.56 3.624 4 19.4 -4 2 3 32.21 2.779 4 4.11 2 0 10.70 8.265 4 7.1 -1 5 2 24.64 3.614 4 2.8 -3 6 1 32.29 2.772 4 1.70 0 2 13.31 6.654 2 2.0 2 5 0 24.79 3.592 4 6.1 4 4 0 32.68 2.740 4 2.00 3 1 13.89 6.376 4 1.4 -2 5 1 24.91 3.574 4 19.5 2 0 4 32.87 2.725 2 4.92 0 0 13.96 6.341 2 1.6 1 6 0 25.51 3.492 4 1.9 -3 3 4 33.04 2.711 4 3.02 1 0 14.55 6.089 4 11.6 -3 3 2 25.65 3.474 4 2.6 -3 5 3 33.22 2.697 4 1.60 2 2 15.60 5.679 4 16.7 0 4 3 25.90 3.440 4 4.2 0 8 1 33.58 2.669 4 2.82 1 1 17.17 5.165 4 3.2 -3 1 3 26.28 3.391 4 3.0 1 8 0 33.65 2.663 4 2.1

-2 0 2 17.22 5.149 2 1.7 2 5 1 26.44 3.371 4 2.2 -1 2 5 33.97 2.639 4 1.50 4 1 17.59 5.042 4 17.4 -1 1 4 26.58 3.353 4 1.4 -4 5 1 34.51 2.599 4 3.0

-2 1 2 17.70 5.011 4 7.5 3 4 0 26.69 3.340 4 14.7 1 8 1 34.63 2.590 4 3.21 4 0 17.72 5.006 4 12.3 2 4 2 26.88 3.317 4 9.5 -3 4 4 34.84 2.575 4 1.30 3 2 18.08 4.907 4 12.1 2 1 3 27.10 3.290 4 3.2 2 3 4 35.18 2.551 4 1.21 2 2 18.20 4.874 4 7.2 0 1 4 27.11 3.289 4 8.0 -4 4 3 35.31 2.542 4 2.4

-1 3 2 18.37 4.829 4 4.3 3 1 2 27.53 3.240 4 3.5 -5 2 1 35.61 2.521 4 1.7-1 4 1 18.42 4.816 4 2.2 -2 0 4 27.60 3.232 2 5.3 5 1 0 35.63 2.520 4 1.92 3 0 18.57 4.777 4 38.5 2 2 3 28.03 3.183 4 2.9 1 5 4 35.80 2.508 4 2.4

-2 3 1 18.74 4.735 4 14.1 0 2 4 28.04 3.182 4 7.3 3 7 0 35.82 2.507 4 2.4-2 2 2 19.06 4.656 4 12.4 4 0 0 28.14 3.171 2 1.5 -2 8 1 35.97 2.497 4 1.31 4 1 19.45 4.565 4 9.3 -1 6 2 28.18 3.166 4 3.5 -5 2 2 36.16 2.484 4 1.8

-1 0 3 19.80 4.484 2 36.3 2 6 0 28.32 3.152 4 2.0 3 4 3 36.19 2.482 4 2.3-1 1 3 20.22 4.392 4 35.5 3 2 2 28.44 3.138 4 3.4 -3 1 5 36.23 2.479 4 3.81 3 2 20.37 4.359 4 12.3 -3 3 3 28.76 3.104 4 4.3 2 6 3 36.62 2.454 4 1.62 3 1 20.70 4.290 4 23.3 -2 2 4 28.81 3.099 4 2.8 2 4 4 36.88 2.437 4 1.20 4 2 21.08 4.215 4 2.4 -1 3 4 29.04 3.075 4 1.5 3 7 1 37.30 2.411 4 1.3

-2 3 2 21.15 4.201 4 2.3 1 1 4 29.41 3.037 4 3.6 4 6 0 37.66 2.389 4 3.1-1 4 2 21.33 4.166 4 4.8 3 5 0 29.43 3.035 4 2.0 4 7 0 40.61 2.221 4 1.23 1 0 21.41 4.150 4 2.4 0 7 1 29.47 3.031 4 1.9 -5 4 3 40.69 2.217 4 1.7

-1 2 3 21.43 4.147 4 2.7 2 3 3 29.52 3.026 4 2.1 3 4 4 41.29 2.186 4 1.22 4 0 21.50 4.132 4 27.0 1 7 0 29.54 3.023 4 7.3 -5 6 2 43.34 2.088 4 2.90 2 3 21.63 4.109 4 1.2 2 5 2 29.60 3.017 4 3.1 4 8 0 43.81 2.066 4 2.62 1 2 21.64 4.107 4 2.3 1 2 4 30.27 2.952 4 4.0 1 3 6 44.67 2.028 4 1.4

-2 4 1 21.65 4.105 4 33.0 -3 5 2 30.52 2.929 4 1.7 4 7 2 44.83 2.022 4 2.1-1 5 1 22.15 4.014 4 5.2 4 1 1 30.57 2.924 4 1.9 -5 6 3 44.91 2.018 4 1.6-3 2 1 22.26 3.993 4 13.9 4 3 0 30.77 2.906 4 2.4 1 4 6 46.08 1.970 4 1.3-2 1 3 22.35 3.978 4 2.6 -3 4 3 30.79 2.904 4 7.8 -1 0 7 46.84 1.939 2 1.51 0 3 22.55 3.942 2 14.7 -3 1 4 30.87 2.897 4 2.4 -5 7 3 47.50 1.914 4 1.63 2 0 22.56 3.941 4 8.1 -4 1 3 31.40 2.849 4 2.0 4 8 2 47.81 1.902 4 1.42 2 2 22.78 3.904 4 1.5 4 2 1 31.41 2.848 4 2.8 -4 4 6 47.97 1.897 4 1.2

-3 1 2 22.85 3.891 4 18.1 0 4 4 31.51 2.839 4 4.1 -4 5 6 49.68 1.835 4 1.3

ST

TSSZ-23

504030201002 theta (°)

70

60

50

40

30

20

10

0

SZR SUZ-4, anhydrous

CHEMICAL COMPOSITION: |K4| [Si36O72]

REFINED COMPOSITION: |K3.86| [Si36O72]



REFERENCE: S. L. Lawton, J. M. Bennett, J. L. Schlenker and M. K. Rubin,J. Chem. Soc., Chem. Commun. 894–896 (1993);K. G. Strohmaier, M. Afeworki and D. L. Dorset,Z. Kristallogr. 221 689–698 (2006).


1 1 0 7.79 11.348 4 100.0 4 4 0 31.54 2.837 4 0.02 3 5 2 42.48 2.128 8 0.062 0 0 9.41 9.403 2 1.9 1 5 0 31.80 2.814 4 2.8 4 6 0 42.70 2.117 4 0.200 0 1 11.87 7.455 2 10.2 5 3 1 32.67 2.741 8 0.02 4 2 3 43.09 2.099 8 0.320 2 0 12.44 7.115 2 8.5 4 2 2 33.15 2.702 8 1.2 3 3 3 43.58 2.077 8 0.041 1 1 14.21 6.231 8 2.7 6 2 1 33.47 2.677 8 3.9 9 1 0 43.79 2.067 4 0.192 0 1 15.17 5.842 4 11.3 3 3 2 33.76 2.655 8 0.79 5 1 3 44.14 2.052 8 0.623 1 0 15.45 5.737 4 0.34 4 4 1 33.81 2.651 8 2.4 0 4 3 44.47 2.037 4 0.022 2 0 15.62 5.674 4 13.0 7 1 0 33.96 2.640 4 0.08 4 6 1 44.48 2.037 8 0.850 2 1 17.23 5.147 4 0.12 1 5 1 34.05 2.633 8 1.7 1 7 0 44.85 2.021 4 0.074 0 0 18.87 4.702 2 9.3 5 1 2 34.46 2.603 8 0.17 9 1 1 45.53 1.992 8 0.481 3 0 19.30 4.599 4 0.32 3 5 0 34.61 2.591 4 0.11 6 4 2 45.61 1.989 8 0.803 1 1 19.52 4.546 8 12.4 0 4 2 34.86 2.573 4 0.05 8 0 2 45.62 1.988 4 0.312 2 1 19.66 4.515 8 3.1 0 0 3 36.15 2.485 2 0.64 7 3 2 45.82 1.980 8 0.254 0 1 22.36 3.977 4 2.1 2 4 2 36.19 2.482 8 0.02 8 4 0 46.29 1.961 4 0.844 2 0 22.67 3.923 4 3.6 3 5 1 36.71 2.448 8 2.5 2 6 2 46.39 1.957 8 0.281 3 1 22.72 3.914 8 4.3 1 1 3 37.03 2.427 8 0.09 7 5 0 46.48 1.954 4 0.153 3 0 23.52 3.783 4 8.5 2 0 3 37.43 2.402 4 0.02 1 7 1 46.56 1.951 8 0.720 0 2 23.87 3.727 2 1.8 6 0 2 37.49 2.399 4 1.8 6 0 3 46.64 1.947 4 0.035 1 0 24.48 3.636 4 3.3 0 6 0 37.94 2.372 2 0.01 5 5 2 46.87 1.938 8 0.160 4 0 25.03 3.557 2 12.2 6 4 0 38.27 2.352 4 0.26 3 7 0 46.99 1.934 4 1.61 1 2 25.15 3.541 8 7.5 8 0 0 38.29 2.351 2 0.14 8 2 2 47.48 1.915 8 0.024 2 1 25.66 3.471 8 2.7 7 3 0 38.51 2.338 4 3.1 9 3 0 47.55 1.912 4 0.312 0 2 25.71 3.465 4 8.7 2 6 0 39.17 2.300 4 0.12 5 3 3 47.88 1.900 8 0.213 3 1 26.42 3.373 8 0.05 3 1 3 39.52 2.280 8 0.63 8 4 1 47.96 1.897 8 0.462 4 0 26.79 3.327 4 0.63 2 2 3 39.59 2.276 8 0.09 6 6 0 48.11 1.891 4 0.030 2 2 27.00 3.302 4 0.39 6 2 2 39.65 2.273 8 0.19 7 5 1 48.15 1.890 8 0.055 1 1 27.29 3.268 8 0.01 0 6 1 39.89 2.260 4 0.04 10 0 0 48.40 1.881 2 0.170 4 1 27.79 3.211 4 0.53 4 4 2 39.94 2.257 8 0.37 6 2 3 48.47 1.878 8 0.336 0 0 28.48 3.134 2 0.26 1 5 2 40.15 2.246 8 0.43 3 7 1 48.64 1.872 8 0.163 1 2 28.56 3.126 8 7.4 6 4 1 40.21 2.243 8 0.05 4 4 3 48.71 1.869 8 0.272 2 2 28.65 3.115 8 4.8 8 0 1 40.22 2.242 4 0.03 0 0 4 48.87 1.864 2 2.82 4 1 29.40 3.038 8 0.85 8 2 0 40.41 2.232 4 0.05 1 5 3 48.90 1.863 8 0.685 3 0 30.33 2.947 4 4.5 4 0 3 41.08 2.197 4 0.06 9 3 1 49.19 1.852 8 0.014 0 2 30.61 2.921 4 4.2 1 3 3 41.29 2.186 8 0.01 4 6 2 49.51 1.841 8 0.011 3 2 30.88 2.896 8 2.8 5 5 1 41.60 2.171 8 0.36 1 1 4 49.57 1.839 8 0.556 0 1 30.95 2.889 4 1.9 7 1 2 41.93 2.154 8 0.57 6 6 1 49.74 1.833 8 0.106 2 0 31.18 2.868 4 1.00 8 2 1 42.26 2.138 8 0.04

SZR

SU

Z-4,

anhydrous

504030201002 theta (°)

14

12

10

8

6

4

2

0

SZR SUZ-4, hydrated

CHEMICAL COMPOSITION: |K4| [Si72O144]




REFERENCE: K. G. Strohmaier, M. Afeworki and D. L. Dorset,Z. Kristallogr. 221 689–698 (2006).


1 0 1 7.79 11.354 4 100.0 4 4 0 30.61 2.921 4 4.3 5 2 5 41.58 2.172 8 0.350 1 1 8.61 10.274 4 1.1 0 5 1 30.71 2.911 4 0.26 7 4 1 41.86 2.158 8 0.272 0 0 9.37 9.441 2 1.7 6 2 0 30.85 2.898 4 1.3 8 2 2 42.13 2.145 8 0.100 2 0 11.90 7.436 2 14.5 1 4 3 30.94 2.890 8 3.1 3 4 5 42.53 2.125 8 0.150 0 2 12.46 7.106 2 8.8 6 0 2 31.08 2.877 4 1.4 4 0 6 42.71 2.117 4 0.331 2 1 14.24 6.221 8 3.8 1 3 4 31.34 2.855 8 0.13 4 6 2 43.14 2.097 8 0.361 1 2 14.59 6.071 8 0.41 1 0 5 31.84 2.811 4 1.9 9 0 1 43.61 2.076 4 0.212 2 0 15.17 5.842 4 17.1 0 1 5 32.06 2.792 4 1.1 0 5 5 44.07 2.055 4 0.213 0 1 15.40 5.755 4 1.2 5 3 2 32.35 2.767 8 0.14 2 7 1 44.15 2.051 8 0.182 0 2 15.61 5.677 4 17.8 4 4 2 33.16 2.701 8 1.4 5 6 1 44.17 2.050 8 0.724 0 0 18.80 4.720 2 12.1 6 2 2 33.39 2.684 8 4.1 4 2 6 44.50 2.036 8 0.440 3 1 18.96 4.681 4 0.22 2 1 5 33.47 2.677 8 0.05 1 7 2 44.78 2.024 8 0.211 0 3 19.32 4.595 4 0.25 3 4 3 33.79 2.652 8 0.68 0 1 7 45.07 2.011 4 0.093 2 1 19.50 4.551 8 14.6 4 2 4 33.80 2.652 8 2.0 2 5 5 45.16 2.008 8 0.120 1 3 19.67 4.514 4 0.12 7 0 1 33.82 2.650 4 0.07 9 2 1 45.37 1.999 8 0.412 2 2 19.67 4.512 8 3.0 1 2 5 34.10 2.629 8 1.4 8 4 0 45.52 1.993 4 0.293 1 2 19.77 4.491 8 0.48 6 3 1 34.34 2.612 8 0.07 6 4 4 45.59 1.990 8 0.654 1 1 20.71 4.289 8 0.06 5 4 1 34.43 2.605 8 0.27 5 1 6 45.62 1.988 8 0.102 1 3 21.83 4.072 8 0.71 3 0 5 34.63 2.590 4 0.29 7 4 3 45.76 1.983 8 0.194 2 0 22.31 3.985 4 3.0 6 1 3 34.75 2.581 8 0.15 2 1 7 46.14 1.967 8 0.631 3 2 22.37 3.975 8 0.08 0 6 0 36.24 2.479 2 0.79 6 5 3 46.16 1.967 8 0.124 0 2 22.61 3.932 4 5.1 2 4 4 36.24 2.479 8 0.07 8 0 4 46.17 1.966 4 0.651 2 3 22.75 3.909 8 4.2 3 2 5 36.74 2.446 8 2.4 7 0 5 46.41 1.957 4 0.203 0 3 23.50 3.785 4 10.0 2 5 3 36.93 2.434 8 0.25 2 4 6 46.46 1.954 8 0.080 4 0 23.93 3.718 2 2.7 1 6 1 37.12 2.422 8 0.15 1 2 7 46.62 1.948 8 0.675 0 1 24.39 3.650 4 2.2 6 4 0 37.44 2.402 4 1.8 0 7 3 46.87 1.939 4 0.070 0 4 25.06 3.553 2 11.9 8 0 0 38.13 2.360 2 0.21 5 4 5 46.88 1.938 8 0.191 4 1 25.20 3.533 8 7.7 6 0 4 38.20 2.356 4 0.12 3 7 2 46.91 1.937 8 0.064 2 2 25.63 3.476 8 2.9 7 0 3 38.40 2.344 4 2.9 3 0 7 47.03 1.932 4 1.12 4 0 25.75 3.459 4 7.7 2 0 6 39.21 2.297 4 0.12 9 0 3 47.39 1.918 4 0.473 3 2 26.09 3.415 8 0.27 5 3 4 39.27 2.294 8 0.16 8 2 4 47.86 1.901 8 0.691 1 4 26.22 3.399 8 0.76 3 6 1 39.59 2.276 8 0.45 5 6 3 47.92 1.898 8 0.403 2 3 26.42 3.373 8 0.19 6 4 2 39.60 2.276 8 0.59 6 0 6 48.08 1.892 4 0.112 0 4 26.81 3.325 4 0.84 2 6 2 39.68 2.272 8 0.07 10 0 0 48.19 1.888 2 0.244 3 1 26.82 3.324 8 0.05 4 4 4 39.96 2.256 8 0.43 6 6 2 48.47 1.878 8 0.280 4 2 27.07 3.294 4 0.30 8 2 0 40.08 2.250 4 0.06 3 2 7 48.69 1.870 8 0.145 2 1 27.22 3.276 8 0.22 7 3 2 40.12 2.248 8 0.05 4 6 4 48.77 1.867 8 0.345 1 2 27.41 3.254 8 0.25 6 2 4 40.15 2.246 8 0.14 5 3 6 48.97 1.860 8 0.070 2 4 27.83 3.206 4 0.29 1 4 5 40.22 2.242 8 0.47 0 8 0 49.00 1.859 2 2.46 0 0 28.36 3.147 2 0.22 4 5 3 40.59 2.222 8 0.08 1 6 5 49.00 1.859 8 0.533 4 1 28.58 3.123 8 7.1 5 5 2 40.64 2.220 8 0.16 1 5 6 49.42 1.844 8 0.092 4 2 28.70 3.110 8 5.0 2 2 6 41.12 2.195 8 0.06 2 3 7 49.46 1.843 8 0.262 2 4 29.42 3.035 8 0.60 4 6 0 41.13 2.195 4 0.12 1 8 1 49.70 1.835 8 0.683 1 4 29.49 3.029 8 0.21 3 1 6 41.17 2.193 8 0.10 6 2 6 49.71 1.834 8 0.055 0 3 30.27 2.953 4 4.5 4 3 5 41.31 2.186 8 0.42 10 0 2 49.98 1.825 4 0.28

SZR

SU

Z-4,

hydrated

504030201002 theta (°)

20

18

16

14

12

10

8

6

4

2

0

TER Terranovaite

CHEMICAL COMPOSITION: |Na4.2K0.2Mg0.2Ca3.7(H2O)>29| [Al12.3Si67.7O160]Mt. Adamson, N. Victoria Land, Antarctica

REFINED COMPOSITION: |Na4.23K0.167Mg0.167Ca3.74| [Al12.32Si67.68O160]



REFERENCE: E. Galli, S. Quartieri, G. Vezzalini, A. Alberti and M. Franzini,American Mineralogist 82 423–429 (1997).


0 2 0 7.40 11.940 2 82.9 3 1 1 28.07 3.179 8 0.72 3 5 5 40.40 2.232 8 1.30 2 1 8.62 10.261 4 100.0 1 1 6 28.46 3.136 8 0.23 2 0 8 40.44 2.230 4 1.30 0 2 8.81 10.034 2 63.4 2 6 0 28.96 3.083 4 2.2 3 7 3 40.65 2.219 8 0.511 1 0 9.80 9.024 4 64.1 1 7 2 29.13 3.066 8 0.43 0 2 9 41.18 2.192 4 0.431 1 1 10.75 8.230 8 5.3 3 1 2 29.13 3.065 8 1.8 1 5 8 41.71 2.165 8 0.200 2 2 11.52 7.682 4 2.4 2 6 1 29.31 3.047 8 3.3 1 9 5 41.85 2.158 8 1.11 1 2 13.19 6.710 8 3.4 2 4 4 29.61 3.017 8 0.53 2 10 0 42.14 2.144 4 0.141 3 0 14.37 6.165 4 23.7 3 3 0 29.70 3.008 4 24.3 3 1 7 42.21 2.141 8 0.280 4 0 14.84 5.970 2 8.8 0 8 0 29.93 2.985 2 0.32 2 10 1 42.39 2.132 8 0.161 3 1 15.03 5.893 8 0.29 3 3 1 30.04 2.975 8 0.24 3 7 4 42.43 2.130 8 0.210 2 3 15.18 5.836 4 15.2 0 8 1 30.27 2.953 4 0.42 1 11 0 42.67 2.119 4 0.430 4 1 15.49 5.722 4 2.3 2 6 2 30.33 2.947 8 1.1 2 6 7 43.09 2.099 8 0.301 1 3 16.50 5.374 8 1.8 1 3 6 30.40 2.940 8 0.45 2 10 2 43.14 2.097 8 0.901 3 2 16.88 5.253 8 0.36 1 5 5 30.50 2.931 8 15.4 2 4 8 43.30 2.089 8 0.350 4 2 17.28 5.131 4 12.4 1 7 3 30.82 2.901 8 0.53 0 8 7 43.78 2.068 4 0.460 0 4 17.68 5.017 2 7.3 3 1 3 30.82 2.901 8 0.35 4 4 4 44.01 2.058 8 0.232 0 0 18.20 4.873 2 14.4 3 3 2 31.04 2.881 8 2.1 3 9 0 44.06 2.055 4 0.230 2 4 19.19 4.625 4 0.53 0 8 2 31.26 2.861 4 1.4 4 2 5 44.13 2.052 8 0.132 2 0 19.67 4.512 4 2.8 2 6 3 31.97 2.800 8 2.6 2 10 3 44.36 2.042 8 0.200 4 3 19.93 4.454 4 0.26 0 2 7 32.11 2.788 4 0.93 3 7 5 44.64 2.030 8 0.682 2 1 20.17 4.402 8 0.23 1 7 4 33.06 2.710 8 0.61 0 0 10 45.18 2.007 2 6.21 1 4 20.25 4.385 8 0.75 3 5 1 33.66 2.663 8 2.0 0 12 0 45.58 1.990 2 0.412 0 2 20.26 4.384 4 4.8 3 3 4 34.77 2.580 8 0.16 4 6 3 45.71 1.985 8 1.41 5 0 20.71 4.289 4 0.13 1 9 0 35.05 2.560 4 0.25 0 12 1 45.82 1.980 4 0.351 5 1 21.18 4.194 8 5.3 2 8 0 35.26 2.545 4 3.1 0 2 10 45.85 1.979 4 0.182 2 2 21.59 4.115 8 0.25 3 1 5 35.75 2.511 8 1.3 1 7 8 45.86 1.979 8 5.50 6 0 22.34 3.980 2 2.9 0 0 8 35.80 2.509 2 1.2 3 9 3 46.21 1.964 8 5.51 5 2 22.55 3.944 8 0.14 2 4 6 35.87 2.504 8 0.72 1 1 10 46.35 1.959 8 0.221 3 4 22.85 3.891 8 0.26 3 5 3 36.03 2.493 8 1.7 5 1 0 46.75 1.943 4 1.70 4 4 23.16 3.841 4 0.21 2 8 2 36.41 2.467 8 0.96 5 1 1 46.98 1.934 8 0.160 2 5 23.38 3.804 4 71.6 2 6 5 36.76 2.445 8 7.8 0 8 8 47.33 1.920 4 1.62 4 0 23.56 3.775 4 60.7 4 0 0 36.89 2.437 2 2.5 1 3 10 47.65 1.908 8 0.272 2 3 23.79 3.741 8 8.9 2 2 7 37.15 2.420 8 3.2 5 1 2 47.67 1.908 8 0.360 6 2 24.05 3.700 4 1.5 1 1 8 37.20 2.417 8 0.22 0 12 3 47.68 1.907 4 0.141 1 5 24.27 3.667 8 4.2 3 3 5 37.36 2.407 8 0.27 2 8 7 47.78 1.903 8 0.301 5 3 24.66 3.610 8 22.4 1 9 3 37.62 2.391 8 0.82 0 4 10 47.82 1.902 4 0.502 4 2 25.20 3.533 8 8.4 0 10 0 37.67 2.388 2 1.9 2 10 5 48.11 1.891 8 0.182 0 4 25.48 3.496 4 0.13 4 2 0 37.67 2.388 4 0.76 4 8 0 48.21 1.888 4 0.170 6 3 26.05 3.420 4 8.9 1 5 7 37.74 2.383 8 0.56 4 8 1 48.43 1.879 8 0.170 0 6 26.65 3.345 2 2.1 2 8 3 37.81 2.379 8 0.56 5 3 2 48.95 1.861 8 0.520 4 5 26.76 3.331 4 3.6 0 6 7 38.71 2.326 4 1.8 2 0 10 49.09 1.856 4 0.232 4 3 27.12 3.288 8 1.2 0 10 2 38.76 2.323 4 0.39 4 6 5 49.38 1.845 8 0.760 2 6 27.70 3.221 4 0.16 2 4 7 39.47 2.283 8 0.21 2 12 0 49.47 1.842 4 0.161 7 0 27.70 3.220 4 2.6 4 4 0 39.96 2.256 4 3.7 0 10 7 49.69 1.835 4 0.183 1 0 27.71 3.219 4 0.71 3 3 6 40.32 2.237 8 0.41 3 9 5 49.85 1.829 8 2.1

TER

Terranovaite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

THO Thomsonite

CHEMICAL COMPOSITION: |Na4Ca7.5Sr0.5(H2O)24| [Si20Al20O80]Death Valley, California, U.S.A.

REFINED COMPOSITION: |Na4Ca11.2Sr0.8(H2O)24| [Si20Al20O80]

CRYSTAL DATA: Pncn (No. 52; bca setting)a = 13.088 A b = 13.052 A c = 13.229 Aα = 90◦ β = 90◦ γ = 90◦

Neutron single crystal refinement, RF2 = 0.048

REFERENCE: J. J. Pluth, J. V. Smith and A. Kvick,Zeolites 5 74–80 (1985).


0 1 1 9.52 9.291 4 0.08 3 3 2 32.05 2.793 8 3.2 5 3 2 42.56 2.124 8 6.81 1 0 9.57 9.242 4 3.0 2 2 4 33.31 2.689 8 0.55 3 5 2 42.61 2.122 8 9.60 0 2 13.39 6.615 2 76.6 4 2 2 33.50 2.675 8 100.0 2 0 6 43.30 2.089 4 11.02 0 0 13.53 6.544 2 4.3 2 4 2 33.55 2.671 8 13.2 0 2 6 43.31 2.089 4 1.40 2 0 13.57 6.526 2 1.1 3 1 4 34.72 2.583 8 20.2 6 0 2 43.69 2.072 4 1.41 0 2 15.01 5.903 4 45.0 1 3 4 34.75 2.581 8 33.0 6 2 0 43.76 2.069 4 2.21 1 2 16.48 5.379 8 52.2 4 1 3 34.83 2.576 8 0.12 0 6 2 43.81 2.066 4 2.61 2 1 16.59 5.343 8 0.06 5 1 0 34.96 2.566 4 6.9 2 6 0 43.86 2.064 4 8.82 0 2 19.08 4.652 4 69.8 4 3 1 34.98 2.565 8 0.14 1 2 6 43.89 2.063 8 3.62 2 0 19.21 4.621 4 97.9 1 5 0 35.05 2.560 4 0.79 5 0 4 44.12 2.053 4 0.202 1 2 20.26 4.382 8 11.1 3 3 3 35.55 2.525 8 0.13 4 3 4 44.15 2.051 8 0.301 2 2 20.28 4.378 8 28.8 5 1 1 35.63 2.520 8 0.15 3 4 4 44.17 2.050 8 0.332 2 1 20.36 4.362 8 0.75 1 5 1 35.72 2.513 8 0.11 6 1 2 44.27 2.046 8 0.790 1 3 21.27 4.178 4 0.16 3 2 4 36.78 2.444 8 1.0 1 6 2 44.38 2.041 8 0.273 1 0 21.48 4.138 4 2.1 2 3 4 36.79 2.443 8 0.49 5 1 4 44.69 2.028 8 2.30 3 1 21.50 4.133 4 0.56 5 0 2 36.93 2.434 4 0.06 1 5 4 44.77 2.024 8 4.21 3 0 21.52 4.129 4 39.5 4 3 2 36.96 2.432 8 0.23 3 3 5 45.17 2.007 8 0.081 1 3 22.34 3.980 8 0.91 3 4 2 36.99 2.430 8 16.4 5 3 3 45.36 1.999 8 0.113 1 1 22.51 3.949 8 1.8 5 1 2 37.59 2.393 8 1.2 2 2 6 45.59 1.990 8 7.11 3 1 22.56 3.941 8 0.77 1 5 2 37.68 2.387 8 3.4 6 2 2 45.96 1.974 8 6.42 2 2 23.48 3.788 8 0.40 2 5 1 37.72 2.385 8 0.08 2 6 2 46.06 1.971 8 1.33 0 2 24.44 3.642 4 0.12 4 0 4 38.71 2.326 4 3.7 3 0 6 46.13 1.968 4 1.53 1 2 25.39 3.508 8 54.4 0 4 4 38.77 2.323 4 0.17 5 2 4 46.37 1.958 8 5.61 3 2 25.43 3.502 8 74.3 4 4 0 38.98 2.310 4 0.30 2 5 4 46.44 1.955 8 2.23 2 1 25.46 3.498 8 0.12 4 1 4 39.35 2.290 8 3.6 5 4 2 46.55 1.951 8 2.22 3 1 25.49 3.494 8 0.72 1 4 4 39.40 2.287 8 0.42 4 5 2 46.58 1.950 8 2.30 0 4 26.96 3.307 2 0.83 5 2 2 39.52 2.280 8 3.2 3 1 6 46.68 1.946 8 4.64 0 0 27.25 3.272 2 3.7 2 5 2 39.59 2.276 8 0.66 1 3 6 46.70 1.945 8 6.20 4 0 27.33 3.263 2 1.3 3 3 4 40.00 2.254 8 38.5 3 6 1 47.19 1.926 8 0.111 0 4 27.82 3.206 4 32.9 4 3 3 40.09 2.249 8 0.06 4 4 4 48.03 1.894 8 1.73 2 2 28.06 3.180 8 2.5 3 4 3 40.11 2.248 8 0.15 3 2 6 48.31 1.884 8 6.42 3 2 28.08 3.178 8 34.9 0 5 3 40.14 2.246 4 0.08 2 3 6 48.32 1.883 8 2.61 1 4 28.67 3.114 8 4.3 5 3 0 40.21 2.243 4 0.74 6 3 2 48.68 1.870 8 2.53 3 0 28.98 3.081 4 8.5 3 5 0 40.26 2.240 4 6.7 3 6 2 48.76 1.868 8 0.191 4 1 29.00 3.079 8 0.10 5 1 3 40.67 2.218 8 0.15 5 3 4 49.07 1.856 8 1.71 3 3 29.64 3.014 8 0.07 0 0 6 40.93 2.205 2 3.5 3 5 4 49.12 1.855 8 1.22 0 4 30.28 2.952 4 39.9 4 2 4 41.20 2.191 8 23.8 5 4 3 49.17 1.853 8 0.070 2 4 30.30 2.950 4 21.2 2 4 4 41.24 2.189 8 5.4 7 1 0 49.23 1.851 4 0.544 0 2 30.48 2.933 4 6.0 6 0 0 41.39 2.181 2 7.6 5 5 0 49.30 1.848 4 1.24 2 0 30.56 2.925 4 4.5 4 4 2 41.39 2.181 8 0.81 0 7 1 49.36 1.846 4 0.242 4 0 30.61 2.920 4 22.3 0 6 0 41.51 2.175 2 21.9 1 7 0 49.37 1.846 4 0.361 2 4 31.08 2.878 8 1.5 1 0 6 41.53 2.174 4 1.5 5 1 5 49.48 1.842 8 0.134 1 2 31.26 2.861 8 36.8 1 1 6 42.13 2.145 8 0.33 1 5 5 49.55 1.840 8 0.101 4 2 31.32 2.856 8 54.1 2 3 5 42.30 2.137 8 0.10 1 7 1 49.88 1.828 8 0.062 3 3 31.97 2.799 8 0.08 2 5 3 42.55 2.125 8 0.21 0 4 6 49.92 1.827 4 14.1

TH

OT

homsonite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

TOL Tounkite-like mineral

CHEMICAL COMPOSITION: |Na31.1Ca3.94K0.96(SO4)9.3(SO3)0.7(Ca12Cl8)| [Si36Al36O144]Tultuiskoe deposit, Lake Baikal region, Russia.

REFINED COMPOSITION: |Na31.11Ca3.93K0.96(SO4)9.3(SO3)0.7(Ca12Cl8)| [Si36Al36O144]



REFERENCE: K. A. Rozenberg, A. N. Sapozhnikov, R. K. Rastsvetaeva,N. B. Bolotina, and A. A. Kashaev,Crystallography Reports 49 635–642 (2004).


0 0 1 2.74 32.211 2 1.7 3 0 4 26.62 3.349 6 0.52 4 0 6 36.59 2.456 6 10.30 0 2 5.49 16.105 2 0.71 0 3 4 26.62 3.349 6 0.73 0 4 6 36.59 2.456 6 10.60 1 0 8.00 11.048 6 2.1 3 -2 6 27.05 3.296 6 18.9 4 -3 8 36.86 2.438 6 1.10 0 3 8.23 10.737 2 0.38 1 2 6 27.05 3.296 6 18.6 1 3 8 36.86 2.438 6 0.970 1 1 8.46 10.450 6 1.1 3 -1 6 27.05 3.296 6 19.5 3 1 8 36.86 2.438 6 1.21 0 1 8.46 10.450 6 0.42 2 1 6 27.05 3.296 6 19.3 4 -1 8 36.86 2.438 6 1.21 0 2 9.71 9.110 6 0.97 2 0 8 27.41 3.254 6 0.69 0 2 12 37.24 2.414 6 0.540 1 3 11.49 7.700 6 1.2 0 2 8 27.41 3.254 6 0.86 2 0 12 37.24 2.414 6 0.460 1 4 13.61 6.508 6 2.2 2 2 0 27.98 3.189 6 3.7 1 4 0 37.30 2.411 6 3.31 0 4 13.61 6.508 6 2.2 1 0 10 28.87 3.092 6 2.6 4 1 0 37.30 2.411 6 3.30 1 5 15.92 5.565 6 1.3 0 1 10 28.87 3.092 6 1.7 4 0 7 38.00 2.368 6 0.501 0 5 15.92 5.565 6 1.3 3 0 6 29.41 3.037 6 0.63 4 -3 9 38.68 2.328 6 0.450 2 1 16.28 5.444 6 0.56 0 3 6 29.41 3.037 6 0.66 1 3 9 38.68 2.328 6 0.440 0 6 16.51 5.368 2 2.3 4 -1 2 29.68 3.010 6 0.81 4 0 8 39.57 2.278 6 1.40 2 2 16.97 5.225 6 0.87 4 -3 2 29.68 3.010 6 0.74 0 4 8 39.57 2.278 6 1.52 0 2 16.97 5.225 6 0.82 3 1 2 29.68 3.010 6 0.76 0 1 14 40.03 2.252 6 0.602 0 3 18.06 4.912 6 0.44 1 3 2 29.68 3.010 6 0.65 4 -3 10 40.64 2.220 6 0.460 1 6 18.37 4.829 6 22.2 1 3 4 31.23 2.864 6 0.97 1 3 10 40.64 2.220 6 0.451 0 6 18.37 4.829 6 21.3 3 1 4 31.23 2.864 6 0.98 3 1 10 40.64 2.220 6 0.880 2 4 19.49 4.555 6 0.52 4 -3 4 31.23 2.864 6 0.96 4 -1 10 40.64 2.220 6 0.841 0 7 20.91 4.248 6 2.6 4 -1 4 31.23 2.864 6 1.1 0 5 0 40.84 2.210 6 0.770 1 7 20.91 4.248 6 2.0 0 1 11 31.61 2.831 6 0.90 5 0 2 41.24 2.189 6 0.422 1 0 21.28 4.176 6 1.7 1 0 11 31.61 2.831 6 0.50 0 4 9 41.29 2.187 6 0.731 2 0 21.28 4.176 6 1.9 0 4 0 32.41 2.762 6 6.5 0 3 12 41.63 2.169 6 0.782 -1 6 21.64 4.107 6 0.93 4 0 1 32.54 2.752 6 0.71 3 0 12 41.63 2.169 6 0.741 1 6 21.64 4.107 6 1.2 0 4 1 32.54 2.752 6 0.72 3 3 0 42.52 2.126 6 28.32 1 2 21.99 4.042 6 0.47 2 2 6 32.66 2.742 6 1.9 0 4 10 43.14 2.097 6 0.681 2 2 21.99 4.042 6 0.69 4 -2 6 32.66 2.742 6 2.1 4 0 10 43.14 2.097 6 1.23 -2 2 21.99 4.042 6 0.79 4 0 2 32.90 2.722 6 2.1 4 2 0 43.34 2.088 6 0.763 -1 2 21.99 4.042 6 0.46 0 4 2 32.90 2.722 6 2.1 2 4 0 43.34 2.088 6 0.822 1 3 22.85 3.892 6 0.60 3 0 8 32.96 2.717 6 1.2 4 -2 12 44.10 2.054 6 3.93 -1 3 22.85 3.892 6 0.51 0 3 8 32.96 2.717 6 0.95 2 2 12 44.10 2.054 6 3.92 0 6 23.10 3.850 6 0.58 0 0 12 33.38 2.684 2 26.6 0 4 11 45.12 2.009 6 0.680 2 6 23.10 3.850 6 0.73 0 4 3 33.50 2.675 6 1.0 4 0 11 45.12 2.009 6 0.451 0 8 23.52 3.783 6 8.6 4 0 3 33.50 2.675 6 0.88 5 1 0 45.72 1.984 6 0.530 1 8 23.52 3.783 6 8.7 4 -3 6 33.68 2.661 6 1.8 1 5 0 45.72 1.984 6 0.601 2 4 24.01 3.707 6 1.2 4 -1 6 33.68 2.661 6 1.9 4 2 6 46.68 1.946 6 0.392 1 4 24.01 3.707 6 0.70 1 3 6 33.68 2.661 6 1.8 0 4 12 47.22 1.925 6 4.33 -2 4 24.01 3.707 6 1.2 3 1 6 33.68 2.661 6 2.0 4 0 12 47.22 1.925 6 4.43 -1 4 24.01 3.707 6 0.66 4 0 4 34.32 2.613 6 3.1 1 0 17 48.76 1.867 6 0.390 3 0 24.17 3.683 6 100.0 0 4 4 34.32 2.613 6 2.8 1 5 6 48.94 1.861 6 1.02 1 5 25.42 3.504 6 0.63 0 1 12 34.38 2.608 6 1.5 6 -5 6 48.94 1.861 6 1.13 -1 5 25.42 3.504 6 0.59 1 0 12 34.38 2.608 6 1.8 5 1 6 48.94 1.861 6 1.00 1 9 26.17 3.405 6 2.1 4 0 5 35.36 2.539 6 0.47 6 -1 6 48.94 1.861 6 1.11 0 9 26.17 3.405 6 1.00 0 4 5 35.36 2.539 6 0.85 0 6 0 49.50 1.841 6 1.7

TO

LTounkite-like

mineral

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

TON Diethylamine Theta-1 (Silica ZSM-22)

CHEMICAL COMPOSITION: |(C2H5)2NH| [Si24O48](C2H5)2NH = diethylamine


CRYSTAL DATA: Cmc21 (No. 36)a = 13.859 A b = 17.420 A c = 5.038 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: B. Marler,Zeolites 7 393–397 (1987).


1 1 0 8.15 10.845 4 100.0 4 4 0 33.04 2.711 4 0.69 3 3 2 43.80 2.067 8 3.90 2 0 10.16 8.710 2 19.1 2 6 0 33.46 2.678 4 0.30 6 2 1 44.38 2.041 8 0.472 0 0 12.77 6.929 2 22.3 0 0 2 35.64 2.519 2 13.8 6 4 0 44.39 2.041 4 0.492 2 0 16.35 5.423 4 7.3 0 6 1 35.69 2.516 4 3.5 4 0 2 44.47 2.037 4 0.511 3 0 16.55 5.356 4 4.6 5 3 0 35.90 2.501 4 0.24 4 6 1 44.51 2.036 8 2.21 1 1 19.43 4.569 8 9.0 1 1 2 36.62 2.454 8 2.1 1 5 2 44.88 2.020 8 2.13 1 0 19.88 4.465 4 0.30 3 5 1 36.91 2.435 8 9.6 3 7 1 45.13 2.009 8 1.10 2 1 20.36 4.361 4 69.6 0 2 2 37.15 2.420 4 0.45 0 8 1 45.37 1.999 4 3.10 4 0 20.39 4.355 2 15.6 5 1 1 37.39 2.405 8 2.9 5 5 1 45.53 1.992 8 0.372 2 1 24.11 3.691 8 8.7 4 4 1 37.67 2.388 8 1.9 4 2 2 45.73 1.984 8 0.392 4 0 24.14 3.687 4 11.5 2 0 2 38.01 2.367 4 0.71 7 1 0 46.14 1.967 4 0.141 3 1 24.25 3.670 8 49.5 2 6 1 38.06 2.365 8 7.2 2 8 1 47.33 1.920 8 0.723 3 0 24.62 3.615 4 50.0 6 0 0 38.99 2.310 2 0.08 1 9 0 47.43 1.917 4 0.274 0 0 25.71 3.465 2 33.5 2 2 2 39.44 2.285 8 0.43 0 6 2 47.80 1.903 4 3.71 5 0 26.38 3.379 4 2.6 1 3 2 39.53 2.279 8 0.32 6 4 1 48.11 1.891 8 0.033 1 1 26.68 3.342 8 6.1 5 3 1 40.25 2.240 8 1.5 7 3 0 48.58 1.874 4 8.60 4 1 27.06 3.295 4 6.6 6 2 0 40.40 2.233 4 0.47 3 5 2 48.77 1.867 8 0.754 2 0 27.71 3.219 4 1.4 4 6 0 40.54 2.225 4 0.16 5 1 2 49.15 1.854 8 0.292 4 1 30.03 2.975 8 2.7 1 7 1 40.97 2.203 8 0.11 5 7 0 49.20 1.852 4 0.273 3 1 30.43 2.937 8 3.2 3 1 2 41.14 2.194 8 0.18 4 4 2 49.38 1.845 8 0.760 6 0 30.80 2.903 2 2.6 3 7 0 41.20 2.191 4 0.44 4 8 0 49.43 1.844 4 1.41 5 1 31.89 2.806 8 0.90 0 4 2 41.41 2.181 4 0.10 2 6 2 49.69 1.835 8 0.183 5 0 32.18 2.782 4 1.5 0 8 0 41.47 2.178 2 0.07 7 1 1 49.76 1.832 8 1.85 1 0 32.71 2.737 4 2.7 5 5 0 41.64 2.169 4 0.384 2 1 33.02 2.713 8 2.7 2 4 2 43.51 2.080 8 0.24

TO

ND

iethylamine

Theta-1

(Silica

ZSM

-22)

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

TSC Tschortnerite

CHEMICAL COMPOSITION: |K11.2Ca89.6Sr16.64Ba4.8Cu46.4(H2O)217(OH)135.04| [Fe1.44Al189.6Si192.96O768]Bellberg volcano, near Mayen, Eifel, Germany

REFINED COMPOSITION: |K12Ca76Sr12Ba12Cu48Cl0.896O327.448(OH)128| [Si192Al192O768]

CRYSTAL DATA: Fm3m (No. 225)a = 31.62 A b = 31.62 A c = 31.62 Aα = 90◦ β = 90◦ γ = 90◦

Single Crystal X-ray Refinement. R = 0.065, Rw = 0.156

REFERENCE: H. Effenberger, G. Giester, W. Krause and H.-J. Bernhardt,American Mineralogist 83 607–617 (1998).


1 1 1 4.84 18.256 8 100.0 9 5 3 30.31 2.949 48 0.27 11 9 3 41.48 2.177 48 0.152 0 0 5.59 15.810 6 14.5 10 4 0 30.45 2.936 24 1.3 14 4 0 41.58 2.172 24 0.052 2 0 7.91 11.179 12 1.4 8 6 4 30.45 2.936 48 0.77 12 6 6 41.99 2.151 24 0.053 1 1 9.28 9.534 24 0.48 10 4 2 30.98 2.886 48 1.6 10 10 4 41.99 2.151 24 0.022 2 2 9.69 9.128 8 5.4 11 1 1 31.37 2.851 24 0.12 14 4 2 41.99 2.151 48 0.024 0 0 11.19 7.905 6 0.02 7 7 5 31.37 2.851 24 0.12 13 7 1 42.30 2.137 48 0.033 3 1 12.20 7.254 24 0.83 8 8 0 32.02 2.795 12 0.86 11 7 7 42.30 2.137 24 0.104 2 0 12.52 7.070 24 0.05 9 5 5 32.41 2.763 24 1.1 13 5 5 42.30 2.137 24 0.314 2 2 13.72 6.454 24 0.41 9 7 1 32.41 2.763 48 0.58 12 8 4 42.80 2.113 48 0.023 3 3 14.56 6.085 8 0.04 11 3 1 32.41 2.763 48 0.78 11 9 5 43.10 2.099 48 0.505 1 1 14.56 6.085 24 0.40 8 8 2 32.53 2.752 24 0.03 13 7 3 43.10 2.099 48 0.034 4 0 15.85 5.590 12 0.63 10 4 4 32.53 2.752 24 0.02 15 1 1 43.10 2.099 24 0.305 3 1 16.59 5.345 48 0.31 10 6 0 33.04 2.711 24 0.81 14 4 4 43.20 2.094 24 0.104 4 2 16.82 5.270 24 0.06 11 3 3 33.41 2.682 24 0.10 10 8 8 43.20 2.094 24 0.256 0 0 16.82 5.270 6 0.23 10 6 2 33.53 2.672 48 0.25 14 6 0 43.60 2.076 24 0.066 2 0 17.74 5.000 24 0.03 8 8 4 34.02 2.635 24 0.34 10 10 6 43.99 2.058 24 0.195 3 3 18.40 4.822 24 0.05 12 0 0 34.02 2.635 6 0.03 11 11 1 44.67 2.028 24 0.216 2 2 18.61 4.767 24 0.83 7 7 7 34.39 2.608 8 1.2 9 9 9 44.67 2.028 8 0.437 1 1 20.05 4.428 24 0.91 11 5 1 34.39 2.608 48 0.41 13 7 5 44.67 2.028 48 0.175 5 1 20.05 4.428 24 1.0 12 2 0 34.51 2.599 24 0.15 12 8 6 44.77 2.024 48 0.046 4 0 20.25 4.385 24 0.52 10 6 4 34.98 2.565 48 1.4 14 6 4 45.16 2.008 48 0.095 5 3 21.59 4.117 24 0.55 12 2 2 34.98 2.565 24 0.02 12 10 2 45.16 2.008 48 0.037 3 1 21.59 4.117 48 0.32 11 5 3 35.34 2.540 48 0.08 11 11 3 45.44 1.996 24 0.028 0 0 22.49 3.952 6 0.04 12 4 0 35.92 2.500 24 0.02 15 5 1 45.44 1.996 48 0.037 3 3 23.02 3.863 24 1.4 10 8 0 36.39 2.469 24 0.16 16 0 0 45.92 1.976 6 0.256 4 4 23.20 3.834 24 0.77 12 4 2 36.39 2.469 48 0.51 15 5 3 46.20 1.965 48 0.168 2 0 23.20 3.834 24 1.2 8 8 6 36.39 2.469 24 0.70 12 10 4 46.30 1.961 48 0.096 6 0 23.88 3.726 12 0.71 10 8 2 36.84 2.440 48 0.03 14 8 0 46.30 1.961 24 0.187 5 1 24.38 3.651 48 0.07 11 7 1 37.18 2.418 48 0.03 10 10 8 46.67 1.946 24 0.105 5 5 24.38 3.651 8 0.03 10 6 6 37.29 2.411 24 0.22 13 7 7 46.95 1.935 24 0.096 6 2 24.54 3.627 24 0.41 11 7 3 38.07 2.363 48 0.11 11 11 5 46.95 1.935 24 0.037 5 3 25.67 3.471 48 2.1 9 7 7 38.07 2.363 24 0.03 14 6 6 47.05 1.931 24 0.058 4 2 25.82 3.450 48 0.67 13 3 1 38.07 2.363 48 0.11 16 4 0 47.42 1.917 24 0.036 6 4 26.44 3.371 24 0.51 10 8 4 38.18 2.357 48 0.12 13 9 5 47.69 1.907 48 0.129 3 1 26.90 3.315 48 0.02 12 6 0 38.18 2.357 24 0.21 16 4 2 47.79 1.903 48 0.068 4 4 27.64 3.227 24 1.7 12 6 2 38.62 2.331 48 0.05 14 8 4 47.79 1.903 48 0.169 3 3 28.08 3.178 24 0.49 9 9 5 38.95 2.312 24 0.03 15 7 3 48.43 1.880 48 0.047 5 5 28.08 3.178 24 0.50 11 7 5 39.81 2.264 48 0.50 11 9 9 48.43 1.880 24 0.058 6 0 28.22 3.162 24 0.51 14 0 0 39.91 2.259 6 0.17 12 12 0 48.88 1.863 12 0.46

10 0 0 28.22 3.162 6 0.49 14 2 0 40.34 2.236 24 0.07 16 4 4 48.88 1.863 24 0.048 6 2 28.79 3.101 48 0.39 10 10 0 40.34 2.236 12 0.47 13 11 1 49.15 1.854 48 0.049 5 1 29.21 3.057 48 0.19 13 5 3 40.65 2.219 48 0.17 16 6 2 49.60 1.838 48 0.027 7 3 29.21 3.057 24 0.18 10 10 2 40.76 2.214 24 0.12 14 8 6 49.60 1.838 48 0.086 6 6 29.35 3.043 8 0.93 14 2 2 40.76 2.214 24 0.29 13 11 3 49.87 1.829 48 0.11

10 2 2 29.35 3.043 24 0.81 9 9 7 41.48 2.177 24 0.20 15 7 5 49.87 1.829 48 0.10

TSC

Tschortnerite

504030201002 theta (°)

16

14

12

10

8

6

4

2

0

TUN TNU-9



CRYSTAL DATA: C 2/m (No. 12; unique axis b, cell choice 1)a = 28.2040 A b = 20.0430 A c = 19.4800 Aα = 90◦ β = 92.3◦ γ = 90◦


REFERENCE: F. Gramm, Ch. Baerlocher, L. B. McCusker, S. J. Warrender, P. A. Wright,B. Han, S. B. Hong, Z. Liu, T. Ohsuna and O. Terasaki,Nature 444 79–81 (2006).


0 0 1 4.54 19.464 2 2.5 6 2 0 20.89 4.253 4 0.83 5 5 2 29.03 3.075 4 5.91 1 0 5.41 16.333 4 2.9 -2 2 4 21.03 4.224 4 0.78 1 5 4 29.12 3.067 4 6.82 0 0 6.27 14.091 2 1.7 -6 2 1 21.22 4.187 4 1.9 -6 0 5 29.20 3.058 2 4.2

-1 1 1 6.98 12.658 4 0.89 3 3 3 21.55 4.124 4 3.2 8 0 3 29.33 3.045 2 0.861 1 1 7.15 12.371 4 100.0 -5 3 2 22.31 3.985 4 3.4 -8 2 3 29.74 3.004 4 0.90

-2 0 1 7.60 11.638 2 63.3 1 5 0 22.40 3.969 4 0.90 7 3 3 29.76 3.002 4 0.772 0 1 7.89 11.202 2 94.9 -6 2 2 22.51 3.950 4 1.3 2 2 6 29.87 2.991 4 0.910 2 0 8.82 10.021 2 64.4 5 3 2 22.83 3.895 4 4.9 -3 5 4 30.18 2.961 4 1.80 0 2 9.09 9.732 2 74.4 1 5 1 22.89 3.884 4 45.1 6 0 5 30.40 2.940 2 2.23 1 0 10.40 8.506 4 4.3 -6 0 3 22.92 3.879 2 24.6 3 5 4 30.65 2.917 4 0.99

-1 1 2 10.47 8.447 4 3.9 1 3 4 22.93 3.878 4 6.0 1 3 6 30.92 2.892 4 1.71 1 2 10.69 8.276 4 7.4 -2 0 5 23.46 3.792 2 17.1 -7 3 4 31.27 2.860 4 1.32 2 0 10.83 8.167 4 1.1 6 0 3 23.83 3.734 2 5.8 7 5 0 31.49 2.841 4 0.732 0 2 11.25 7.862 2 8.0 2 0 5 23.96 3.714 2 5.6 -7 5 1 31.70 2.822 4 1.23 1 1 11.50 7.692 4 5.2 3 5 0 24.14 3.687 4 3.0 9 3 1 32.07 2.791 4 0.94

-2 2 1 11.65 7.594 4 4.9 -1 5 2 24.17 3.682 4 2.7 10 0 1 32.28 2.773 2 1.24 0 0 12.56 7.045 2 19.1 1 5 2 24.27 3.668 4 6.0 7 3 4 32.33 2.769 4 0.824 0 1 13.54 6.541 2 2.3 -5 3 3 24.45 3.641 4 1.7 -7 5 2 32.59 2.748 4 1.10 0 3 13.65 6.488 2 4.4 3 5 1 24.65 3.612 4 5.3 -5 5 4 32.66 2.742 4 1.2

-2 2 2 13.99 6.329 4 1.4 3 3 4 24.82 3.587 4 6.4 -5 3 6 34.08 2.631 4 0.743 1 2 14.07 6.292 4 1.8 -2 2 5 25.11 3.546 4 0.98 -10 0 3 34.18 2.624 2 1.12 2 2 14.32 6.185 4 4.5 5 3 3 25.16 3.539 4 1.7 -1 5 6 35.65 2.519 4 0.78

-1 3 1 14.32 6.183 4 1.8 8 0 0 25.28 3.523 2 15.4 0 8 0 35.84 2.505 2 1.61 3 1 14.40 6.149 4 10.4 -8 0 1 25.52 3.491 2 1.6 -9 3 4 36.08 2.489 4 1.1

-2 0 3 14.80 5.985 2 3.9 -4 0 5 25.70 3.467 2 0.75 3 3 7 36.63 2.453 4 0.801 1 3 14.81 5.982 4 1.7 3 5 2 25.98 3.430 4 3.3 9 5 1 36.86 2.438 4 1.1

-4 0 2 15.23 5.819 2 12.3 -1 5 3 26.26 3.394 4 0.89 -6 0 7 36.90 2.436 2 1.54 2 0 15.37 5.764 4 1.3 1 5 3 26.39 3.377 4 3.5 9 3 4 37.28 2.412 4 0.763 3 0 16.28 5.444 4 0.75 7 3 1 26.40 3.375 4 1.2 -5 7 3 37.63 2.390 4 0.691 3 2 16.47 5.383 4 5.3 -8 0 2 26.56 3.356 2 5.5 -1 5 7 39.46 2.283 4 0.86

-3 3 1 16.81 5.275 4 1.8 -1 3 5 26.58 3.354 4 1.5 5 5 6 39.60 2.276 4 0.733 3 1 17.01 5.212 4 3.1 4 0 5 26.60 3.351 2 3.5 6 8 3 43.50 2.080 4 0.91

-4 2 2 17.62 5.032 4 1.6 0 6 0 26.69 3.341 2 3.1 2 8 5 43.57 2.077 4 1.22 2 3 17.65 5.023 4 1.4 1 3 5 26.80 3.326 4 1.5 13 3 1 44.35 2.042 4 1.20 4 0 17.70 5.011 2 6.7 -7 3 2 27.14 3.286 4 0.78 -8 0 8 44.39 2.041 2 2.2

-4 0 3 18.21 4.871 2 0.71 -5 3 4 27.22 3.276 4 1.2 -3 3 9 44.73 2.026 4 0.690 0 4 18.23 4.866 2 1.2 8 0 2 27.27 3.271 2 6.9 0 10 0 45.24 2.004 2 5.43 3 2 18.86 4.705 4 3.0 0 0 6 27.49 3.244 2 3.4 7 5 7 46.33 1.960 4 1.35 1 2 19.03 4.663 4 3.8 -5 5 1 27.58 3.234 4 0.74 2 8 6 46.40 1.957 4 0.73

-2 0 4 19.05 4.658 2 0.79 7 3 2 27.74 3.216 4 1.4 0 0 10 46.66 1.946 2 0.791 1 4 19.15 4.634 4 3.5 5 5 1 27.80 3.209 4 0.88 -14 0 3 46.71 1.945 2 2.2

-6 0 1 19.26 4.608 2 1.8 -2 0 6 27.97 3.189 2 1.0 8 8 3 46.96 1.935 4 1.21 3 3 19.42 4.571 4 2.6 4 2 5 28.08 3.178 4 1.4 -1 5 9 47.78 1.904 4 0.81

-4 2 3 20.27 4.381 4 3.5 2 0 6 28.48 3.134 2 2.1 14 0 3 47.85 1.901 2 0.79-3 1 4 20.70 4.291 4 1.3 8 2 2 28.71 3.109 4 0.93 13 5 2 49.00 1.859 4 0.76

TU

NT

NU

-9

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

UEI Hydroxygallophosphate Mu-18

CHEMICAL COMPOSITION: |(C5H14N2)4(OH)8(H2O)4| [Ga24P24O96]

REFINED COMPOSITION: |C19.2H72N12.8O8(H2O)1.334| [Ga24P24O96]

CRYSTAL DATA: Aba2 (No. 41)a = 18.035 A b = 10.513 A c = 14.293 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: L. Josien, A. Simon, V. Gramlich and J. Patarin,Chem. Mater. 13 1305–1311 (2001).


2 0 0 9.81 9.017 2 82.7 2 3 3 33.26 2.694 8 3.3 2 2 6 42.87 2.110 8 1.71 1 1 11.54 7.666 8 51.2 3 2 4 33.80 2.652 8 2.1 6 2 4 42.92 2.107 8 0.280 0 2 12.39 7.146 2 23.5 2 1 5 33.99 2.638 8 2.3 4 0 6 42.94 2.106 4 2.52 1 1 14.35 6.173 8 2.4 0 4 0 34.11 2.628 2 10.5 1 4 4 43.01 2.103 8 2.42 0 2 15.82 5.601 4 21.6 6 2 0 34.37 2.609 4 0.29 3 3 5 43.54 2.078 8 4.90 2 0 16.87 5.257 2 28.4 1 4 0 34.48 2.601 4 4.8 8 2 0 43.69 2.072 4 0.021 2 0 17.57 5.047 4 0.10 3 3 3 35.12 2.555 8 2.3 1 5 1 43.81 2.067 8 0.273 1 1 18.10 4.902 8 100.0 2 4 0 35.58 2.523 4 0.43 2 4 4 43.93 2.061 8 3.32 2 0 19.55 4.541 4 4.1 3 1 5 35.82 2.507 8 13.0 6 3 3 44.00 2.058 8 0.464 0 0 19.69 4.509 2 2.5 5 3 1 36.29 2.475 8 12.4 7 3 1 44.08 2.054 8 2.10 2 2 20.98 4.234 4 4.4 4 2 4 36.35 2.472 8 2.6 3 2 6 44.39 2.041 8 2.01 1 3 21.06 4.219 8 22.9 6 1 3 36.36 2.471 8 0.97 5 4 2 44.50 2.036 8 0.301 2 2 21.56 4.122 8 17.4 0 4 2 36.42 2.467 4 2.7 6 1 5 44.58 2.032 8 0.454 1 1 22.34 3.980 8 4.5 7 1 1 36.45 2.465 8 2.4 2 5 1 44.71 2.027 8 4.83 2 0 22.47 3.957 4 0.88 6 2 2 36.66 2.451 8 1.2 8 1 3 45.33 2.001 8 0.902 1 3 22.74 3.910 8 9.0 1 4 2 36.77 2.444 8 0.88 3 4 4 45.42 1.997 8 0.992 2 2 23.21 3.833 8 1.3 3 4 0 37.34 2.408 4 0.31 1 1 7 45.53 1.992 8 1.94 0 2 23.33 3.813 4 18.3 4 3 3 37.59 2.393 8 1.4 8 2 2 45.59 1.990 8 1.30 0 4 24.92 3.573 2 41.1 0 0 6 37.76 2.382 2 1.5 4 3 5 45.63 1.988 8 3.23 1 3 25.31 3.519 8 7.0 2 4 2 37.81 2.379 8 1.3 6 4 0 45.86 1.979 4 0.333 2 2 25.73 3.462 8 0.87 4 1 5 38.25 2.353 8 1.3 3 5 1 46.18 1.966 8 3.34 2 0 26.04 3.422 4 0.25 7 2 0 38.93 2.313 4 2.9 2 1 7 46.41 1.957 8 3.31 3 1 26.65 3.344 8 18.8 2 0 6 39.11 2.303 4 2.1 4 2 6 46.44 1.955 8 1.52 0 4 26.84 3.322 4 46.8 6 0 4 39.16 2.300 4 2.6 9 1 1 46.57 1.950 8 2.25 1 1 26.87 3.319 8 20.7 5 2 4 39.42 2.286 8 2.1 7 2 4 46.78 1.942 8 1.72 3 1 28.02 3.184 8 12.2 3 4 2 39.49 2.282 8 1.6 4 4 4 47.44 1.916 8 0.754 1 3 28.55 3.127 8 5.9 4 4 0 39.69 2.271 4 2.0 1 5 3 47.54 1.913 8 0.104 2 2 28.93 3.087 8 0.97 8 0 0 39.99 2.254 2 0.38 6 4 2 47.69 1.907 8 4.36 0 0 29.72 3.006 2 0.24 6 3 1 40.02 2.253 8 1.8 8 0 4 47.70 1.907 4 2.95 2 0 30.05 2.974 4 0.22 5 3 3 40.58 2.223 8 3.9 7 3 3 47.79 1.903 8 1.03 3 1 30.17 2.962 8 29.3 7 1 3 40.73 2.215 8 0.55 3 1 7 47.83 1.901 8 0.510 2 4 30.24 2.955 4 0.38 7 2 2 41.00 2.201 8 2.0 4 5 1 48.17 1.889 8 0.351 2 4 30.66 2.916 8 1.3 1 3 5 41.05 2.199 8 5.9 5 3 5 48.21 1.888 8 2.16 1 1 31.58 2.833 8 17.8 5 1 5 41.20 2.191 8 2.4 7 1 5 48.34 1.883 8 1.22 2 4 31.87 2.808 8 6.2 8 1 1 41.45 2.179 8 1.6 2 5 3 48.38 1.881 8 2.04 0 4 31.96 2.800 4 5.0 0 2 6 41.62 2.170 4 0.45 8 3 1 48.43 1.879 8 0.421 3 3 32.09 2.789 8 6.3 4 4 2 41.74 2.164 8 1.6 6 0 6 48.78 1.867 4 1.35 1 3 32.27 2.774 8 10.3 1 2 6 41.94 2.154 8 0.65 5 2 6 48.99 1.859 8 0.256 0 2 32.31 2.771 4 10.3 2 3 5 42.00 2.151 8 0.36 7 4 0 49.54 1.840 4 0.175 2 2 32.61 2.746 8 6.0 8 0 2 42.02 2.150 4 3.0 3 5 3 49.77 1.832 8 0.901 1 5 32.85 2.727 8 7.6 5 4 0 42.56 2.124 4 0.05 4 1 7 49.78 1.832 8 2.04 3 1 32.97 2.716 8 9.7 0 4 4 42.71 2.117 4 1.8 5 4 4 49.95 1.826 8 0.02

UEI

Hydroxygallophosphate

Mu-18

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

UFI UZM-5

CHEMICAL COMPOSITION: |K8| [Si56Al8O128]

REFINED COMPOSITION: |K5.204| [Si56Al8O128]



REFERENCE: C. S. Blackwell, R. W. Broach, M. G. Gatter, J. S. Holmgren, D.-Y. Jan,G. J. Lewis, B. J.Mezza, T. M. Mezza, M. A. Miller, J. G.Moscoso,R. L. Patton, L. M. Rohde, M. W. Schoonover, W. Sinkler, B. A. Wilson,and S. T. Wilson, Angew. Chem., Int. Ed. 42 1737–1740 (2003).


0 0 2 6.27 14.086 2 100.0 3 2 5 30.92 2.892 16 4.0 4 2 8 42.00 2.151 16 0.171 0 1 7.92 11.157 8 88.8 3 3 0 31.23 2.864 4 2.8 4 4 0 42.07 2.148 4 0.711 1 0 10.30 8.592 4 30.3 3 0 7 31.33 2.855 8 1.9 4 1 9 42.11 2.146 16 0.051 0 3 11.91 7.430 8 53.5 0 0 10 31.76 2.817 2 0.53 1 0 13 42.37 2.133 8 1.31 1 2 12.07 7.335 8 21.4 4 1 3 31.82 2.812 16 9.3 5 1 6 42.54 2.125 16 1.10 0 4 12.57 7.043 2 0.15 4 0 4 32.09 2.789 8 0.11 4 4 2 42.57 2.123 8 0.022 0 0 14.58 6.075 4 0.52 2 2 8 32.89 2.723 8 1.1 5 3 0 43.42 2.084 8 0.052 0 2 15.89 5.579 8 22.6 4 2 0 32.97 2.717 8 0.44 4 3 7 43.50 2.080 16 0.601 1 4 16.27 5.447 8 12.8 2 1 9 33.02 2.712 16 0.15 5 0 7 43.50 2.080 8 0.012 1 1 16.61 5.336 16 4.7 1 1 10 33.47 2.677 8 0.01 4 0 10 43.83 2.066 8 2.11 0 5 17.35 5.112 8 25.2 4 2 2 33.59 2.668 16 4.3 5 3 2 43.92 2.061 16 0.012 1 3 18.87 4.703 16 0.94 3 3 4 33.79 2.653 8 4.0 4 4 4 44.08 2.055 8 0.270 0 6 18.90 4.695 2 1.5 4 1 5 34.34 2.611 16 0.46 3 2 11 44.43 2.039 16 0.282 0 4 19.29 4.600 8 6.8 3 1 8 34.55 2.596 16 0.74 6 0 0 44.75 2.025 4 2.72 2 0 20.68 4.296 4 3.0 3 2 7 34.72 2.584 16 5.0 2 1 13 45.04 2.013 16 0.601 1 6 21.57 4.120 8 3.6 2 0 10 35.11 2.556 8 0.64 0 0 14 45.05 2.012 2 0.422 2 2 21.63 4.109 8 1.9 4 0 6 35.19 2.550 8 0.22 3 3 10 45.14 2.008 8 0.153 0 1 22.17 4.009 8 4.7 4 2 4 35.41 2.535 16 1.5 3 1 12 45.26 2.003 16 0.032 1 5 22.73 3.911 16 10.6 1 0 11 35.83 2.506 8 0.82 5 3 4 45.39 1.998 16 0.093 1 0 23.15 3.842 8 3.3 4 3 1 37.13 2.421 16 0.07 6 1 1 45.52 1.993 16 0.041 0 7 23.28 3.820 8 0.08 5 0 1 37.13 2.421 8 1.3 5 1 8 45.99 1.974 16 0.203 0 3 23.93 3.719 8 3.6 4 1 7 37.84 2.378 16 0.30 5 2 7 46.12 1.968 16 1.22 0 6 23.95 3.715 8 0.16 2 2 10 38.20 2.356 8 0.06 4 2 10 46.43 1.956 16 3.23 1 2 24.01 3.707 16 26.4 5 0 3 38.26 2.353 8 0.05 6 1 3 46.48 1.954 16 0.272 2 4 24.27 3.668 8 0.33 4 3 3 38.26 2.353 16 0.17 4 1 11 47.01 1.933 16 0.300 0 8 25.29 3.522 2 5.6 4 2 6 38.27 2.352 16 0.54 6 2 0 47.31 1.921 8 0.023 1 4 26.42 3.373 16 0.10 5 1 2 38.31 2.350 16 0.12 5 0 9 47.36 1.920 8 0.303 2 1 26.64 3.346 16 6.4 0 0 12 38.34 2.348 2 0.32 4 3 9 47.36 1.920 16 0.633 0 5 27.11 3.289 8 1.7 2 1 11 38.87 2.317 16 0.03 3 0 13 47.59 1.911 8 0.051 1 8 27.37 3.258 8 8.6 4 0 8 39.16 2.300 8 0.08 2 0 14 47.60 1.910 8 0.072 1 7 27.58 3.234 16 5.0 3 2 9 39.28 2.293 16 0.63 5 3 6 47.75 1.905 16 0.133 2 3 28.13 3.172 16 0.48 3 1 10 39.67 2.272 16 0.01 6 2 2 47.78 1.904 16 0.182 2 6 28.15 3.169 8 1.1 1 1 12 39.80 2.265 8 0.02 5 4 1 48.05 1.893 16 0.142 0 8 29.31 3.047 8 2.9 5 1 4 39.94 2.257 16 0.13 5 4 3 48.97 1.860 16 1.34 0 0 29.40 3.038 4 0.21 5 2 1 40.09 2.249 16 0.09 4 0 12 49.04 1.858 8 0.391 0 9 29.47 3.031 8 2.7 4 3 5 40.42 2.231 16 0.04 6 2 4 49.15 1.853 16 0.093 1 6 30.05 2.974 16 0.99 5 0 5 40.42 2.231 8 0.24 4 4 8 49.72 1.834 8 0.104 0 2 30.09 2.969 8 4.2 3 3 8 40.60 2.222 8 0.19 5 2 9 49.82 1.830 16 0.044 1 1 30.50 2.931 16 4.3 5 2 3 41.14 2.194 16 0.02

UFI

UZM

-5

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

UOZ IM-10

CHEMICAL COMPOSITION: |(C12N2H30; F2)2| [Ge40O80]

REFINED COMPOSITION: |(C12N2H30; F2)2| [Ge40O80]



REFERENCE: Y. Mathieu, J.-L. Paillaud, P. Caullet, N. Bats,Microporous and Mesoporous Materials 75 13–22 (2004).


0 0 2 6.19 14.281 2 0.02 2 2 5 31.76 2.817 8 0.03 3 3 2 42.34 2.135 8 0.011 0 1 10.14 8.722 8 100.0 2 0 8 31.78 2.816 8 10.7 4 1 4 42.62 2.121 16 0.020 0 4 12.40 7.140 2 0.49 3 1 3 32.30 2.771 16 6.8 2 0 12 42.82 2.112 8 0.551 0 3 13.41 6.601 8 15.3 3 0 5 33.27 2.693 8 0.43 1 1 13 43.50 2.081 8 0.011 1 0 13.67 6.477 4 2.3 3 1 4 33.38 2.684 16 7.1 4 1 5 43.72 2.070 16 0.011 1 1 14.02 6.316 8 0.01 2 2 6 33.47 2.678 8 0.01 3 2 8 43.73 2.070 16 0.011 0 5 18.30 4.847 8 1.1 1 1 10 34.31 2.613 8 0.02 3 3 4 43.81 2.067 8 1.81 1 4 18.49 4.797 8 30.9 3 2 0 35.33 2.540 8 0.02 4 0 6 43.87 2.064 8 0.040 0 6 18.64 4.760 2 0.37 3 2 1 35.47 2.530 16 1.8 4 2 0 44.22 2.048 8 9.32 0 0 19.38 4.580 4 4.5 2 1 9 35.79 2.509 16 8.9 4 2 1 44.34 2.043 16 0.092 1 1 21.92 4.055 16 46.6 3 2 2 35.90 2.501 16 1.9 3 1 10 44.55 2.034 16 0.012 1 2 22.58 3.937 16 28.4 1 0 11 35.95 2.498 8 1.4 4 2 2 44.70 2.027 16 0.032 0 4 23.07 3.855 8 9.2 3 2 3 36.61 2.455 16 0.23 2 2 11 44.74 2.026 8 0.031 1 6 23.19 3.836 8 0.27 3 0 7 36.76 2.445 8 0.35 4 1 6 45.03 2.013 16 2.72 1 3 23.64 3.763 16 8.8 2 2 8 37.49 2.399 8 29.2 4 2 3 45.29 2.002 16 0.061 0 7 23.87 3.727 8 13.0 3 2 4 37.58 2.393 16 0.01 3 2 9 45.75 1.983 16 2.00 0 8 24.94 3.570 2 16.7 0 0 12 37.80 2.380 2 1.0 4 2 4 46.10 1.969 16 0.652 1 4 25.06 3.553 16 0.04 3 1 7 38.10 2.362 16 3.9 4 1 7 46.55 1.951 16 1.32 1 5 26.78 3.329 16 0.71 2 1 10 38.42 2.343 16 0.83 2 1 13 46.93 1.936 16 0.032 0 6 27.02 3.300 8 0.10 3 2 5 38.79 2.321 16 0.43 3 1 11 47.00 1.933 16 4.02 2 0 27.54 3.238 4 7.4 4 0 0 39.35 2.290 4 3.9 4 2 5 47.14 1.928 16 0.012 2 2 28.26 3.158 8 0.04 3 1 8 40.09 2.249 16 0.17 4 0 8 47.15 1.927 8 0.161 1 8 28.55 3.127 8 9.3 3 2 6 40.24 2.241 16 0.17 2 2 12 47.40 1.918 8 0.132 1 6 28.75 3.105 16 6.0 1 1 12 40.37 2.234 8 0.50 3 2 10 47.92 1.898 16 8.03 0 1 29.42 3.036 8 0.05 4 1 1 40.74 2.215 16 4.6 4 1 8 48.25 1.886 16 0.021 0 9 29.79 2.999 8 8.2 3 0 9 41.02 2.200 8 0.12 1 0 15 48.85 1.864 8 0.942 2 4 30.30 2.949 8 9.1 4 1 2 41.12 2.195 16 8.1 3 3 8 49.33 1.847 8 0.463 0 3 30.75 2.907 8 0.39 2 1 11 41.16 2.193 16 2.5 3 1 12 49.57 1.839 16 4.23 1 0 30.87 2.897 8 3.4 4 0 4 41.41 2.181 8 0.04 4 2 7 49.81 1.830 16 0.302 1 7 30.93 2.891 16 7.6 4 1 3 41.75 2.163 16 1.6 5 0 1 49.88 1.828 8 0.043 1 1 31.03 2.882 16 19.1 3 3 0 41.84 2.159 4 0.89 4 3 1 49.88 1.828 16 0.630 0 10 31.32 2.856 2 0.05 3 2 7 41.89 2.157 16 1.1 2 1 14 49.94 1.826 16 0.121 1 9 31.39 2.850 8 0.04 3 1 9 42.24 2.139 16 5.93 1 2 31.52 2.839 16 0.04 1 0 13 42.30 2.136 8 0.02

UO

ZIM

-10

504030201002 theta (°)

504846444240383634323028262422201816141210

86420

USI IM-6

CHEMICAL COMPOSITION: |(C5H13N2)2(H2O)2| [Co4Ga6(PO4)10]

REFINED COMPOSITION: |C10N4(H2O)| [Co4Ga6(PO4)10]



REFERENCE: L. Josien, A. Simon-Masseron, V. Gramlich, J. Patarin and L. Rouleau,Chemistry: A European Journal 9 856–861 (2003).


0 0 1 7.97 11.087 2 28.6 3 1 1 27.18 3.281 2 0.62 0 -1 4 36.51 2.461 2 0.400 1 0 8.01 11.044 2 34.1 -1 2 3 27.23 3.275 2 4.6 4 1 1 36.60 2.455 2 2.80 1 1 8.69 10.176 2 100.0 2 3 3 27.46 3.248 2 3.3 2 2 5 36.92 2.434 2 0.611 0 0 9.41 9.396 2 27.9 -1 0 3 27.50 3.243 2 0.97 1 1 5 36.98 2.431 2 1.81 1 1 10.74 8.236 2 0.46 0 -1 3 28.43 3.140 2 1.1 1 5 1 37.50 2.398 2 0.951 0 1 11.18 7.916 2 0.77 1 -2 2 28.48 3.133 2 0.58 2 5 2 37.59 2.393 2 0.611 1 0 11.46 7.718 2 0.89 0 -3 1 28.50 3.132 2 3.9 -3 2 2 37.96 2.370 2 0.540 -1 1 13.43 6.592 2 2.8 3 2 1 28.59 3.122 2 0.94 0 5 1 38.15 2.359 2 0.84

-1 1 1 14.62 6.061 2 5.6 3 2 2 28.67 3.114 2 10.4 4 0 0 38.32 2.349 2 1.40 1 2 14.66 6.043 2 2.4 1 4 2 28.74 3.106 2 1.8 2 -2 3 38.33 2.348 2 1.60 2 1 14.71 6.022 2 1.6 -1 -2 2 28.92 3.087 2 0.74 1 4 5 38.61 2.332 2 1.20 0 2 15.99 5.543 2 4.3 -2 -1 2 29.34 3.044 2 0.41 -2 4 1 38.93 2.314 2 0.890 2 0 16.05 5.522 2 4.0 -1 -3 1 29.43 3.035 2 0.48 2 -1 4 39.04 2.307 2 1.20 2 2 17.43 5.088 2 2.0 -2 2 2 29.47 3.030 2 2.3 -2 -3 2 39.19 2.298 2 1.62 0 1 19.12 4.641 2 5.7 0 2 4 29.57 3.021 2 0.66 -2 1 4 39.32 2.291 2 0.61

-1 2 1 19.42 4.570 2 0.87 0 4 2 29.67 3.011 2 1.8 -2 -4 1 39.96 2.256 2 0.672 1 0 19.45 4.563 2 10.1 0 1 4 29.86 2.993 2 1.2 1 0 5 40.04 2.252 2 0.77

-1 1 2 19.54 4.543 2 0.86 1 3 4 30.03 2.976 2 0.80 3 2 5 40.58 2.223 2 1.52 1 2 20.49 4.335 2 0.46 -1 3 3 30.57 2.924 2 0.48 0 0 5 40.69 2.217 2 0.860 -1 2 20.66 4.299 2 9.1 1 -3 1 30.71 2.911 2 0.66 0 -3 3 41.08 2.197 2 0.660 -2 1 20.69 4.292 2 4.6 3 2 0 30.75 2.907 2 0.86 -1 5 3 41.74 2.164 2 0.432 2 2 21.58 4.118 2 9.8 2 4 2 30.94 2.890 2 0.55 -1 3 5 41.79 2.161 2 0.65

-2 0 1 21.85 4.067 2 1.7 -1 -1 3 31.05 2.880 2 1.5 -3 2 3 41.97 2.152 2 0.391 -1 2 21.98 4.044 2 2.0 -3 0 1 31.05 2.880 2 0.45 0 -4 2 42.11 2.146 2 0.501 2 3 22.01 4.039 2 6.9 3 1 3 31.45 2.845 2 1.3 -4 -2 1 43.16 2.096 2 0.511 3 1 22.04 4.032 2 3.6 0 4 3 31.54 2.837 2 0.70 1 -5 0 43.39 2.085 2 0.980 3 1 22.11 4.020 2 2.2 2 3 4 31.59 2.832 2 1.2 3 5 1 43.40 2.085 2 1.51 3 2 22.20 4.004 2 1.7 2 4 3 31.85 2.810 2 0.89 -1 0 5 43.62 2.075 2 0.73

-1 2 2 22.21 4.002 2 7.8 1 0 4 31.95 2.801 2 0.53 2 -3 3 45.13 2.009 2 0.44-1 -2 1 22.43 3.964 2 0.92 -2 3 1 32.36 2.767 2 0.89 4 -1 3 45.50 1.994 2 0.462 0 2 22.46 3.958 2 0.53 0 4 0 32.43 2.761 2 1.1 5 1 1 46.44 1.955 2 1.22 -1 1 22.98 3.869 2 4.4 1 4 0 32.47 2.757 2 0.50 -2 1 5 46.67 1.946 2 0.482 2 0 23.05 3.859 2 1.6 3 3 3 32.62 2.745 2 4.5 -4 -3 1 46.70 1.945 2 0.50

-2 1 1 23.10 3.851 2 9.3 2 -2 2 32.82 2.729 2 1.8 3 -4 0 46.85 1.939 2 0.580 0 3 24.08 3.696 2 4.9 2 -3 0 32.97 2.716 2 0.46 -2 -5 1 47.36 1.919 2 0.400 3 0 24.18 3.681 2 4.2 -1 4 1 33.33 2.688 2 1.3 1 5 6 47.61 1.910 2 0.561 3 3 25.11 3.546 2 0.66 -2 0 3 33.47 2.677 2 0.87 3 6 4 47.75 1.904 2 0.612 1 3 25.22 3.531 2 0.61 -1 1 4 33.50 2.675 2 0.96 3 6 2 48.08 1.892 2 0.742 3 2 25.37 3.511 2 1.0 -2 2 3 33.92 2.642 2 1.7 5 0 2 48.21 1.888 2 0.462 3 1 25.78 3.455 2 1.1 1 -4 0 35.15 2.553 2 0.49 0 -3 4 48.52 1.876 2 0.63

-1 1 3 26.13 3.411 2 1.1 0 4 4 35.28 2.544 2 0.71 1 6 0 49.06 1.857 2 0.712 -2 0 26.60 3.351 2 3.0 -3 1 2 35.75 2.511 2 1.3 -3 3 4 49.28 1.849 2 0.680 -2 2 27.05 3.296 2 12.1 3 -2 1 36.17 2.483 2 0.44 0 0 6 49.32 1.848 2 0.42

-2 1 2 27.07 3.294 2 2.8 -2 -1 3 36.19 2.482 2 0.49 -4 0 3 49.64 1.837 2 0.40-1 3 2 27.17 3.282 2 3.9 3 1 4 36.31 2.474 2 0.65 3 6 5 49.81 1.831 2 0.55

USI

IM-6

504030201002 theta (°)

60

50

40

30

20

10

0

UTL IM-12

CHEMICAL COMPOSITION: [Ge13.8Si62.2O152]

REFINED COMPOSITION: [Ge12.18Si63.82O152]

CRYSTAL DATA: C 2/m (No. 12; unique axis b, cell choice 1)a = 29.8004 A b = 13.99259 A c = 12.39256 Aα = 90.0◦ β = 105.1846◦ γ = 90.0◦


REFERENCE: J-L. Paillaud, B. Harbuzaru, J. Patarin and N. Bats,Science 304 990–992 (2004).


2 0 0 6.15 14.380 2 100.0 5 1 2 24.95 3.569 4 0.26 8 2 2 34.76 2.581 4 0.341 1 0 7.03 12.582 4 86.7 -6 0 3 25.03 3.557 2 0.50 -1 3 4 35.09 2.557 4 0.380 0 1 7.39 11.960 2 36.0 4 2 2 25.18 3.537 4 1.1 -1 5 2 35.20 2.550 4 0.97

-2 0 1 8.29 10.672 2 27.2 6 2 1 25.20 3.534 4 1.1 -8 4 1 35.21 2.549 4 0.31-1 1 1 9.60 9.212 4 26.9 0 4 0 25.46 3.498 2 0.44 6 2 3 35.25 2.546 4 0.661 1 1 10.77 8.211 4 8.6 7 1 1 25.51 3.492 4 2.4 -5 3 4 35.64 2.519 4 0.552 0 1 10.79 8.200 2 1.1 2 4 0 26.22 3.399 4 11.7 2 4 3 35.76 2.511 4 0.253 1 0 11.19 7.909 4 5.4 0 4 1 26.55 3.357 4 1.7 8 4 0 35.82 2.507 4 1.2

-3 1 1 12.01 7.370 4 1.9 -5 3 2 26.58 3.353 4 0.44 -4 0 5 36.34 2.472 2 0.264 0 0 12.31 7.190 2 3.4 -2 4 1 26.82 3.324 4 0.87 -11 1 3 36.39 2.469 4 0.290 2 0 12.65 6.996 2 3.3 -8 2 1 27.14 3.286 4 0.43 -12 0 2 36.56 2.458 2 0.272 2 0 14.08 6.291 4 0.52 3 1 3 27.14 3.286 4 1.00 -5 5 2 37.14 2.421 4 0.42

-2 0 2 14.48 6.119 2 3.0 -7 1 3 27.53 3.240 4 1.4 -6 0 5 37.36 2.407 2 0.280 0 2 14.81 5.980 2 1.8 -9 1 1 27.68 3.222 4 0.55 8 0 3 37.83 2.378 2 0.60

-1 1 2 15.66 5.658 4 3.5 8 0 1 27.72 3.218 2 1.6 5 1 4 37.92 2.373 4 0.304 0 1 15.96 5.553 2 0.39 2 4 1 27.72 3.218 4 0.55 8 4 1 37.99 2.368 4 0.56

-3 1 2 16.54 5.359 4 0.28 2 2 3 27.83 3.205 4 0.26 -12 0 3 38.42 2.343 2 1.15 1 0 16.66 5.320 4 3.1 -6 2 3 28.14 3.171 4 0.25 -2 4 4 38.86 2.317 4 0.361 1 2 17.13 5.176 4 0.80 4 4 0 28.37 3.146 4 0.32 7 5 0 38.94 2.313 4 1.22 0 2 17.49 5.071 2 2.0 -8 2 2 28.42 3.140 4 1.1 -4 4 4 39.11 2.303 4 0.894 2 0 17.69 5.014 4 7.3 -7 3 1 28.44 3.138 4 0.25 6 0 4 39.48 2.283 2 0.531 3 0 19.28 4.604 4 3.7 -4 4 1 28.50 3.132 4 0.28 11 3 0 39.51 2.281 4 0.40

-5 1 2 19.46 4.561 4 0.94 9 1 0 28.65 3.115 4 4.1 0 4 4 39.65 2.273 4 0.39-1 3 1 20.38 4.358 4 2.7 -9 1 2 28.73 3.107 4 0.71 12 2 0 39.75 2.267 4 0.254 2 1 20.42 4.350 4 0.67 -2 0 4 28.86 3.093 2 2.0 7 5 1 40.81 2.211 4 0.33

-4 2 2 20.94 4.243 4 0.28 7 3 0 28.96 3.083 4 0.66 -12 0 4 41.67 2.168 2 0.251 3 1 20.96 4.238 4 0.58 -1 3 3 29.01 3.078 4 0.91 7 1 4 42.28 2.138 4 0.423 3 0 21.18 4.194 4 2.0 -3 3 3 29.08 3.071 4 1.1 -9 5 1 42.28 2.137 4 0.35

-2 0 3 21.51 4.130 2 0.68 -3 1 4 29.57 3.021 4 0.87 9 5 0 42.96 2.105 4 0.38-7 1 1 21.89 4.060 4 0.51 6 2 2 29.65 3.012 4 1.3 -3 5 4 43.61 2.075 4 0.880 0 3 22.30 3.987 2 5.1 -1 1 4 29.91 2.987 4 0.38 -4 0 6 43.84 2.065 2 1.16 2 0 22.48 3.954 4 5.4 -10 0 1 29.99 2.979 2 0.53 -13 1 4 44.58 2.032 4 0.25

-4 0 3 22.49 3.953 2 6.3 -5 1 4 30.54 2.927 4 0.73 -14 2 2 44.64 2.030 4 0.26-1 1 3 22.61 3.932 4 3.9 -6 0 4 30.82 2.901 2 0.53 9 5 1 44.99 2.015 4 0.61-3 1 3 22.71 3.916 4 6.3 5 1 3 31.12 2.874 4 1.3 13 3 0 45.37 1.999 4 0.87-7 1 2 23.71 3.753 4 1.1 9 1 1 31.47 2.843 4 0.52 -10 4 4 45.68 1.986 4 0.32-1 3 2 23.89 3.724 4 1.5 -9 1 3 31.61 2.830 4 1.1 8 4 3 46.16 1.967 4 0.37-8 0 1 23.91 3.722 2 0.25 1 5 0 32.13 2.785 4 0.50 8 6 0 46.41 1.956 4 0.35-6 2 2 24.15 3.685 4 2.5 -1 5 1 32.83 2.728 4 0.38 -12 4 3 46.66 1.947 4 0.481 1 3 24.18 3.681 4 0.90 1 5 1 33.21 2.698 4 0.48 6 4 4 47.57 1.912 4 0.42

-5 1 3 24.44 3.642 4 0.49 -2 4 3 33.57 2.669 4 1.2 5 7 0 48.19 1.888 4 0.385 3 0 24.57 3.623 4 3.6 -3 5 1 33.65 2.663 4 0.35 7 5 3 48.32 1.884 4 0.332 0 3 24.69 3.606 2 1.9 6 4 1 33.70 2.660 4 0.47 -11 3 5 48.45 1.879 4 0.288 0 0 24.76 3.595 2 6.2 10 0 1 33.91 2.643 2 0.38 -11 5 3 48.75 1.868 4 0.581 3 2 24.90 3.576 4 0.64 9 3 0 34.01 2.636 4 0.40 5 5 4 49.97 1.825 4 0.33

UT

LIM

-12

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

VET VPI-8





REFERENCE: C. C. Freyhardt, R. F. Lobo, S. Khodabandeh, J. E. Lewis, Jr.,M. Tsapatsis, M. Yoshikawa, M. A. Camblor, M. Pan, M. M. Helmkamp,S. I. Zones and M. E. Davis, J. Am. Chem. Soc. 118 7299–7310 (1996).


1 0 0 6.78 13.045 4 100.0 4 0 1 32.72 2.737 8 3.5 1 6 0 42.13 2.145 4 0.261 1 0 9.59 9.224 4 21.2 4 1 1 33.45 2.679 8 0.67 6 1 0 42.13 2.145 4 0.182 0 0 13.58 6.523 4 1.3 1 4 1 33.45 2.679 8 0.37 4 4 1 43.15 2.097 8 0.072 1 0 15.19 5.834 4 0.24 3 3 1 34.17 2.624 8 0.59 3 2 2 43.81 2.066 8 0.411 2 0 15.19 5.834 4 1.7 4 3 0 34.37 2.609 4 0.39 2 3 2 43.81 2.066 8 0.440 0 1 17.62 5.034 2 0.12 5 0 0 34.37 2.609 4 0.01 2 6 0 43.89 2.063 4 0.621 0 1 18.90 4.696 8 1.7 1 5 0 35.07 2.558 4 0.22 6 2 0 43.89 2.063 4 0.032 2 0 19.24 4.612 4 0.17 4 2 1 35.57 2.524 8 1.4 3 5 1 44.31 2.044 8 0.441 1 1 20.09 4.419 8 20.7 2 4 1 35.57 2.524 8 0.89 5 3 1 44.31 2.044 8 0.183 0 0 20.42 4.348 4 3.4 0 0 2 35.67 2.517 2 3.9 5 4 0 44.47 2.037 4 0.493 1 0 21.54 4.125 4 18.6 1 0 2 36.35 2.471 8 0.34 6 0 1 45.44 1.996 8 0.221 3 0 21.54 4.125 4 0.03 1 1 2 37.02 2.428 8 0.79 4 0 2 45.52 1.993 8 0.132 0 1 22.31 3.985 8 13.8 2 5 0 37.11 2.422 4 0.62 6 1 1 46.00 1.973 8 0.842 1 1 23.34 3.811 8 8.2 2 0 2 38.33 2.348 8 0.35 1 6 1 46.00 1.973 8 0.201 2 1 23.34 3.811 8 3.8 5 0 1 38.88 2.316 8 0.18 4 1 2 46.08 1.970 8 0.312 3 0 24.60 3.618 4 10.8 4 3 1 38.88 2.316 8 1.7 1 4 2 46.08 1.970 8 0.173 2 0 24.60 3.618 4 3.4 3 4 1 38.88 2.316 8 0.65 3 3 2 46.63 1.948 8 1.32 2 1 26.20 3.401 8 9.4 1 2 2 38.97 2.311 8 0.06 6 3 0 46.71 1.945 4 0.383 0 1 27.10 3.291 8 0.86 2 1 2 38.97 2.311 8 0.03 3 6 0 46.71 1.945 4 0.094 0 0 27.35 3.261 4 0.03 1 5 1 39.51 2.281 8 1.2 2 6 1 47.65 1.909 8 0.413 1 1 27.96 3.191 8 0.39 5 1 1 39.51 2.281 8 0.53 6 2 1 47.65 1.909 8 1.21 3 1 27.96 3.191 8 1.9 5 3 0 40.31 2.237 4 0.86 4 2 2 47.72 1.906 8 0.041 4 0 28.20 3.164 4 3.9 2 2 2 40.84 2.209 8 0.21 2 4 2 47.72 1.906 8 1.24 1 0 28.20 3.164 4 7.5 5 2 1 41.36 2.183 8 0.41 5 4 1 48.18 1.888 8 0.203 3 0 29.04 3.075 4 0.99 2 5 1 41.36 2.183 8 0.02 4 5 1 48.18 1.888 8 0.483 2 1 30.42 2.938 8 0.17 3 0 2 41.45 2.178 8 0.04 7 0 0 48.87 1.864 4 0.252 3 1 30.42 2.938 8 0.76 6 0 0 41.53 2.174 4 0.13 7 1 0 49.40 1.845 4 0.042 4 0 30.65 2.917 4 0.05 1 3 2 42.05 2.149 8 0.54 1 7 0 49.40 1.845 4 1.24 2 0 30.65 2.917 4 0.64 3 1 2 42.05 2.149 8 0.06

VET

VPI-8

504030201002 theta (°)

25

20

15

10

5

0

VFI VPI-5





REFERENCE: L. B. McCusker, Ch. Baerlocher, E. Jahn and M. Bulow,Zeolites 11 308–313 (1991).


1 0 0 5.38 16.433 6 100.0 1 5 1 32.28 2.773 12 0.67 4 5 0 42.99 2.104 6 0.081 1 0 9.32 9.488 6 0.65 3 2 2 32.44 2.760 12 0.65 3 3 3 44.09 2.054 12 0.242 0 0 10.77 8.217 6 11.9 2 3 2 32.44 2.760 12 0.51 4 4 2 44.25 2.047 12 0.161 2 0 14.26 6.211 6 0.40 6 0 0 32.70 2.739 6 4.6 4 2 3 44.45 2.038 12 0.262 1 0 14.26 6.211 6 0.53 4 3 0 33.16 2.702 6 0.07 2 4 3 44.45 2.038 12 0.161 1 1 14.37 6.162 12 4.2 4 1 2 33.36 2.685 12 0.11 4 5 1 44.49 2.037 12 0.112 0 1 15.36 5.770 12 0.10 1 4 2 33.36 2.685 12 0.15 5 4 1 44.49 2.037 12 0.143 0 0 16.18 5.478 6 1.1 1 0 3 33.62 2.666 12 0.11 7 0 2 44.61 2.031 12 0.491 2 1 17.99 4.930 12 0.28 2 5 0 34.07 2.631 6 0.06 0 0 4 44.73 2.026 2 0.632 1 1 17.99 4.930 12 0.17 5 2 0 34.07 2.631 6 1.3 1 0 4 45.08 2.011 12 0.522 2 0 18.70 4.744 6 5.2 1 1 3 34.52 2.598 12 0.15 7 2 0 45.16 2.008 6 0.071 3 0 19.48 4.558 6 0.10 6 0 1 34.57 2.595 12 0.11 6 3 1 45.20 2.006 12 0.063 0 1 19.56 4.538 12 0.29 2 0 3 34.96 2.566 12 0.13 3 6 1 45.20 2.006 12 0.154 0 0 21.63 4.108 6 1.2 3 4 1 35.01 2.563 12 0.15 1 5 3 45.52 1.993 12 0.112 2 1 21.71 4.094 12 7.6 4 3 1 35.01 2.563 12 0.04 5 1 3 45.52 1.993 12 0.140 0 2 21.93 4.052 2 9.9 5 0 2 35.16 2.553 12 0.10 8 0 1 45.56 1.991 12 0.111 3 1 22.38 3.973 12 1.8 6 1 0 35.83 2.506 6 0.13 2 6 2 45.67 1.986 12 0.083 1 1 22.38 3.973 12 2.6 1 6 0 35.83 2.506 6 0.18 2 0 4 46.14 1.967 12 0.151 0 2 22.60 3.934 12 7.2 2 5 1 35.88 2.503 12 1.1 7 2 1 46.61 1.949 12 0.352 3 0 23.60 3.770 6 2.0 3 3 2 36.02 2.493 12 0.65 2 7 1 46.61 1.949 12 0.263 2 0 23.60 3.770 6 4.5 1 2 3 36.26 2.477 12 0.14 2 1 4 47.18 1.926 12 0.141 1 2 23.88 3.727 12 1.2 4 2 2 36.45 2.465 12 0.22 1 2 4 47.18 1.926 12 0.044 0 1 24.29 3.664 12 0.10 3 0 3 37.11 2.423 12 0.11 8 1 0 47.26 1.923 6 0.062 0 2 24.49 3.634 12 1.6 5 1 2 37.70 2.386 12 0.40 6 0 3 47.26 1.923 12 0.071 4 0 24.83 3.586 6 2.2 1 5 2 37.70 2.386 12 0.27 7 1 2 47.41 1.917 12 0.212 3 1 26.07 3.418 12 0.44 2 2 3 38.34 2.348 12 1.8 1 7 2 47.41 1.917 12 0.283 2 1 26.07 3.418 12 0.34 1 3 3 38.75 2.324 12 0.38 3 4 3 47.60 1.910 12 0.072 1 2 26.26 3.394 12 0.43 3 1 3 38.75 2.324 12 0.17 4 3 3 47.60 1.910 12 0.121 2 2 26.26 3.394 12 0.15 6 2 0 39.54 2.279 6 0.54 3 0 4 47.87 1.900 12 0.135 0 0 27.13 3.287 6 0.20 4 4 1 39.59 2.276 12 0.13 5 5 0 47.94 1.898 6 0.054 1 1 27.19 3.279 12 4.6 6 0 2 39.72 2.269 12 0.40 4 6 0 48.28 1.885 6 0.061 4 1 27.19 3.279 12 5.9 4 0 3 39.94 2.257 12 0.11 2 5 3 48.28 1.885 12 0.123 0 2 27.38 3.258 12 1.3 3 5 1 39.98 2.255 12 0.06 8 1 1 48.65 1.871 12 0.443 3 0 28.22 3.163 6 2.4 5 3 1 39.98 2.255 12 0.18 1 8 1 48.65 1.871 12 0.494 2 0 28.75 3.106 6 0.06 7 0 1 39.98 2.255 12 0.07 5 4 2 48.77 1.867 12 0.102 2 2 28.98 3.081 12 4.5 4 3 2 40.11 2.248 12 0.11 4 5 2 48.77 1.867 12 0.085 0 1 29.32 3.046 12 0.06 2 5 2 40.89 2.207 12 0.15 2 2 4 48.88 1.863 12 0.551 3 2 29.50 3.028 12 1.1 5 2 2 40.89 2.207 12 0.32 3 1 4 49.21 1.851 12 0.333 1 2 29.50 3.028 12 1.1 2 3 3 41.10 2.196 12 0.15 1 3 4 49.21 1.851 12 0.371 5 0 30.28 2.951 6 2.8 3 2 3 41.10 2.196 12 0.26 3 7 0 49.29 1.849 6 0.245 1 0 30.28 2.951 6 1.9 2 6 1 41.15 2.194 12 0.16 7 3 0 49.29 1.849 6 0.093 3 1 30.34 2.946 12 0.61 6 2 1 41.15 2.194 12 0.41 5 5 1 49.32 1.848 12 0.412 4 1 30.83 2.900 12 0.24 4 1 3 41.87 2.158 12 0.22 6 4 1 49.65 1.836 12 0.614 2 1 30.83 2.900 12 1.4 1 4 3 41.87 2.158 12 0.16 4 6 1 49.65 1.836 12 0.804 0 2 31.00 2.885 12 1.5 6 1 2 42.41 2.131 12 0.04 8 0 2 49.76 1.832 12 0.12

VFI

VPI-5

504030201002 theta (°)

12

10

8

6

4

2

0

VNI VPI-9

CHEMICAL COMPOSITION: |Rb44K4(H2O)48| [Si96Zn24O240]

REFINED COMPOSITION: |Rb44K4(H2O)14| [Si96Zn24O240]



REFERENCE: L. B. McCusker, R. W. Grosse-Kunstleve, Ch. Baerlocher, M. Yoshikawa,and M. E. Davis, Microporous and Mesoporous Materials 6 295–309 (1996).


0 0 4 4.80 18.413 2 21.0 1 1 21 28.47 3.135 8 3.7 3 3 0 38.65 2.330 4 11.51 0 2 9.26 9.546 8 2.7 3 1 0 28.56 3.126 8 37.8 2 1 27 38.79 2.321 16 3.00 0 8 9.61 9.206 2 6.8 3 1 1 28.58 3.123 16 3.1 3 2 17 38.88 2.316 16 3.81 0 3 9.65 9.169 8 3.3 3 1 2 28.66 3.114 16 55.2 1 1 30 38.88 2.316 8 2.81 0 4 10.16 8.708 8 34.5 3 0 8 28.78 3.102 8 64.4 2 2 24 39.06 2.306 8 17.51 0 5 10.78 8.207 8 5.0 3 1 4 28.98 3.081 16 89.8 4 0 12 39.31 2.292 8 4.61 0 7 12.29 7.204 8 4.9 0 0 24 29.10 3.069 2 96.8 3 3 6 39.37 2.289 8 6.41 1 0 12.67 6.989 4 14.0 3 1 5 29.21 3.057 16 6.4 3 1 22 39.44 2.285 16 3.31 1 2 12.89 6.866 8 24.5 3 0 9 29.22 3.056 8 3.9 3 2 18 39.57 2.277 16 2.41 0 8 13.14 6.737 8 14.3 2 2 12 29.41 3.037 8 29.8 2 1 28 39.88 2.260 16 6.20 0 12 14.43 6.138 2 22.1 1 1 22 29.59 3.019 8 46.0 3 2 19 40.29 2.238 16 2.91 1 6 14.58 6.073 8 20.2 2 1 18 29.75 3.003 16 10.1 3 1 23 40.32 2.237 16 2.71 1 8 15.92 5.567 8 7.6 3 1 8 30.20 2.960 16 3.6 4 1 13 40.88 2.208 16 3.01 1 10 17.49 5.070 8 23.5 2 0 20 30.27 2.953 8 53.3 4 2 2 40.91 2.206 16 3.22 0 0 17.95 4.942 4 5.6 1 1 23 30.71 2.911 8 3.7 2 1 29 40.98 2.202 16 4.22 0 4 18.59 4.773 8 29.3 3 1 10 31.08 2.877 16 5.6 3 2 20 41.05 2.199 16 4.71 1 12 19.25 4.612 8 9.4 2 0 21 31.27 2.860 8 3.9 3 1 24 41.23 2.190 16 7.32 1 1 20.12 4.412 16 4.7 3 1 11 31.59 2.832 16 2.7 3 3 12 41.46 2.178 8 6.31 0 15 20.19 4.397 8 2.4 3 1 12 32.14 2.785 16 18.2 4 0 16 41.48 2.177 8 7.42 1 2 20.23 4.389 16 5.1 3 1 13 32.72 2.737 16 2.3 4 2 8 42.04 2.149 16 5.92 0 8 20.40 4.354 8 42.0 3 0 15 32.73 2.736 8 2.6 2 1 30 42.10 2.146 16 4.12 1 3 20.41 4.350 16 2.8 1 0 26 32.89 2.723 8 2.5 3 1 26 43.10 2.099 16 14.52 1 4 20.67 4.298 16 26.6 3 2 4 33.04 2.711 16 7.8 2 0 32 43.37 2.086 8 5.72 1 5 20.98 4.234 16 6.9 3 1 14 33.34 2.687 16 21.4 4 2 12 43.52 2.079 16 4.21 1 14 21.14 4.203 8 2.5 3 0 16 33.45 2.679 8 49.4 3 3 16 43.54 2.079 8 3.71 0 16 21.29 4.173 8 2.3 2 1 22 33.58 2.669 16 5.0 4 0 20 44.14 2.052 8 3.22 1 7 21.81 4.075 16 5.9 2 2 18 33.73 2.657 8 17.7 4 2 14 44.46 2.038 16 2.51 0 17 22.41 3.968 8 5.8 3 2 7 33.79 2.653 16 3.6 3 3 18 44.77 2.024 8 3.92 1 9 22.87 3.889 16 2.3 3 2 8 34.13 2.627 16 8.8 3 1 28 45.05 2.013 16 15.12 0 12 23.11 3.849 8 23.2 3 1 16 34.69 2.586 16 4.2 4 3 2 45.98 1.974 16 2.71 1 16 23.14 3.844 8 6.1 2 2 20 35.41 2.535 8 5.9 3 3 20 46.10 1.969 8 4.21 0 18 23.53 3.781 8 3.1 2 1 24 35.61 2.521 16 3.8 4 1 22 46.60 1.949 16 2.82 1 12 24.82 3.587 16 4.3 3 2 12 35.88 2.503 16 4.1 4 2 18 46.71 1.945 16 2.72 2 0 25.49 3.494 4 74.9 3 1 18 36.16 2.484 16 14.7 5 1 2 46.94 1.936 16 5.62 2 1 25.52 3.490 8 3.9 4 0 0 36.36 2.471 4 4.5 5 0 8 47.02 1.933 8 3.42 0 15 25.57 3.483 8 3.7 3 1 19 36.94 2.433 16 2.4 4 3 8 47.02 1.933 16 2.42 2 2 25.61 3.479 8 50.8 3 2 14 36.98 2.431 16 5.0 5 1 4 47.14 1.928 16 3.91 0 20 25.82 3.451 8 17.3 2 2 22 37.19 2.417 8 6.6 5 1 6 47.49 1.915 16 3.12 1 14 26.33 3.384 16 66.3 3 0 21 37.45 2.401 8 4.4 4 3 10 47.63 1.909 16 6.72 0 16 26.46 3.368 8 33.7 3 2 15 37.58 2.393 16 4.3 4 2 20 48.01 1.895 16 4.82 2 6 26.52 3.361 8 10.6 4 0 8 37.69 2.386 8 3.1 5 0 12 48.37 1.882 8 3.22 2 7 26.88 3.316 8 3.6 2 1 26 37.72 2.385 16 3.3 3 3 24 49.10 1.856 8 5.52 2 8 27.30 3.267 8 8.9 3 1 20 37.75 2.383 16 12.6 5 1 12 49.30 1.848 16 13.61 0 22 28.14 3.171 8 3.5 4 1 5 38.03 2.366 16 2.3 4 2 22 49.41 1.844 16 2.92 2 10 28.27 3.157 8 100.0 4 1 7 38.52 2.337 16 4.3 2 2 34 49.51 1.841 8 4.6

VN

IVPI-9

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

VSV VPI-7

CHEMICAL COMPOSITION: |Na32(H2O)40| [Si56Zn16O144]

REFINED COMPOSITION: |Na28.48(H2O)49.76| [Si56Zn16O144]



REFERENCE: C. Rohrig, H. Gies and B. Marler,Zeolites 14 498–503 (1994).


4 0 0 8.87 9.970 2 9.1 9 1 3 34.32 2.613 8 0.29 8 2 4 43.49 2.081 8 0.791 1 1 12.39 7.146 8 1.8 0 4 0 34.75 2.582 2 2.2 15 3 1 43.93 2.061 8 0.433 1 1 13.89 6.374 8 100.0 2 4 0 35.05 2.560 4 6.5 16 2 2 44.06 2.055 8 1.35 1 1 16.51 5.370 8 30.4 0 0 4 35.13 2.555 2 5.2 15 1 3 44.09 2.054 8 0.612 2 0 17.75 4.998 4 4.0 4 4 0 35.93 2.499 4 0.28 12 4 0 44.44 2.039 4 1.68 0 0 17.79 4.985 2 17.3 15 1 1 35.97 2.497 8 10.1 18 2 0 44.50 2.036 4 1.82 0 2 17.92 4.950 4 22.4 14 2 0 36.01 2.494 4 0.02 18 0 2 44.57 2.033 4 6.34 2 0 19.36 4.585 4 9.1 16 0 0 36.03 2.493 2 1.5 12 0 4 44.74 2.025 4 3.87 1 1 19.80 4.483 8 5.9 14 0 2 36.10 2.488 4 9.1 1 5 1 44.83 2.022 8 2.26 2 0 21.80 4.077 4 0.10 4 0 4 36.30 2.475 4 0.48 19 1 1 44.95 2.016 8 0.616 0 2 21.94 4.051 4 0.82 12 2 2 36.65 2.452 8 6.3 11 3 3 45.02 2.013 8 0.279 1 1 23.52 3.783 8 2.3 11 3 1 37.07 2.425 8 6.7 1 1 5 45.29 2.002 8 1.20 2 2 24.51 3.632 4 0.42 1 3 3 37.20 2.417 8 4.4 3 5 1 45.31 2.001 8 1.28 2 0 24.83 3.586 4 0.30 11 1 3 37.25 2.414 8 7.9 10 4 2 45.46 1.995 8 3.02 2 2 24.92 3.573 8 3.2 6 4 0 37.37 2.406 4 1.1 20 0 0 45.49 1.994 2 0.114 2 2 26.11 3.412 8 11.8 3 3 3 37.77 2.382 8 12.6 10 2 4 45.69 1.986 8 2.6

12 0 0 26.83 3.323 2 15.3 5 3 3 38.87 2.317 8 1.1 3 1 5 45.77 1.982 8 4.31 3 1 27.43 3.251 8 50.8 8 4 0 39.30 2.292 4 1.9 5 5 1 46.27 1.962 8 3.5

11 1 1 27.50 3.244 8 22.6 2 4 2 39.36 2.289 8 2.6 5 1 5 46.72 1.944 8 0.121 1 3 27.67 3.224 8 14.5 2 2 4 39.62 2.275 8 0.06 14 4 0 47.53 1.913 4 1.56 2 2 28.00 3.187 8 36.8 8 0 4 39.64 2.274 4 5.1 7 5 1 47.68 1.907 8 3.13 3 1 28.17 3.168 8 14.1 4 4 2 40.17 2.245 8 0.60 17 3 1 47.75 1.905 8 0.40

10 2 0 28.28 3.156 4 6.9 16 2 0 40.17 2.245 4 0.92 13 3 3 47.86 1.901 8 1.710 0 2 28.39 3.144 4 8.7 14 2 2 40.23 2.241 8 8.7 17 1 3 47.90 1.899 8 0.153 1 3 28.39 3.143 8 30.8 13 3 1 40.36 2.235 8 3.4 12 4 2 48.05 1.894 8 0.645 3 1 29.59 3.019 8 3.9 17 1 1 40.40 2.232 8 1.9 18 2 2 48.11 1.891 8 0.065 1 3 29.80 2.998 8 26.3 4 2 4 40.42 2.232 8 3.3 7 1 5 48.11 1.891 8 1.88 2 2 30.45 2.935 8 17.8 7 3 3 40.48 2.228 8 0.17 12 2 4 48.26 1.886 8 1.67 3 1 31.61 2.831 8 7.2 13 1 3 40.53 2.226 8 1.5 20 2 0 48.97 1.860 4 0.84

13 1 1 31.66 2.826 8 24.1 6 4 2 41.48 2.177 8 1.4 9 5 1 49.50 1.841 8 1.57 1 3 31.81 2.813 8 0.86 10 4 0 41.68 2.167 4 0.48 21 1 1 49.62 1.837 8 3.3

12 2 0 32.03 2.794 4 3.6 6 2 4 41.72 2.165 8 0.38 9 1 5 49.93 1.827 8 2.310 2 2 33.37 2.685 8 0.99 9 3 3 42.55 2.125 8 1.19 3 1 34.13 2.627 8 1.2 8 4 2 43.26 2.092 8 0.68

VSV

VPI-7

504030201002 theta (°)

60

50

40

30

20

10

0

WEI Weinebeneite

CHEMICAL COMPOSITION: |Ca4(H2O)16| [Be12P8O32(OH)8]Weinebene Pass, Koralpe, Austria

REFINED COMPOSITION: |Ca4(H2O)16| [Be12P8O32(OH)8]



REFERENCE: F. Walter,Eur. J. Mineral. 4 1275–1283 (1992).


1 1 0 11.79 7.506 4 17.7 4 2 0 35.53 2.527 4 1.5 -3 1 4 43.18 2.095 4 2.2-1 1 1 14.52 6.101 4 19.0 -3 1 3 35.56 2.525 4 3.8 -2 2 4 43.50 2.081 4 0.792 0 0 14.97 5.918 2 100.0 -2 2 3 35.73 2.513 4 65.1 -4 2 3 43.73 2.070 4 5.81 1 1 15.45 5.735 4 69.7 3 3 0 35.89 2.502 4 8.9 -2 4 2 43.87 2.064 4 8.90 2 0 18.28 4.853 2 35.3 -4 2 1 35.97 2.496 4 1.8 -3 3 3 44.55 2.034 4 0.680 0 2 18.51 4.792 2 34.2 -3 3 1 36.53 2.459 4 20.1 2 4 2 45.25 2.004 4 1.50 2 1 20.51 4.330 4 52.2 0 4 0 37.04 2.427 2 14.9 5 1 2 45.37 1.999 4 2.3

-1 1 2 21.35 4.161 4 38.1 4 0 2 37.28 2.412 2 1.0 6 0 0 46.00 1.973 2 8.91 1 2 22.64 3.927 4 7.1 0 0 4 37.54 2.396 2 6.9 2 2 4 46.23 1.964 4 0.78

-2 0 2 22.67 3.922 2 8.6 4 2 1 37.58 2.393 4 4.2 -4 0 4 46.30 1.961 2 5.52 2 0 23.71 3.753 4 1.4 3 3 1 37.73 2.384 4 2.9 -5 1 3 46.34 1.959 4 3.23 1 0 24.35 3.655 4 7.4 2 2 3 38.14 2.360 4 12.0 0 4 3 47.02 1.932 4 3.1

-2 2 1 24.92 3.573 4 12.5 0 4 1 38.26 2.353 4 1.4 -1 3 4 47.20 1.925 4 0.042 0 2 25.06 3.554 2 10.8 -1 1 4 38.71 2.326 4 5.7 3 1 4 47.25 1.924 4 6.2

-3 1 1 25.26 3.526 4 7.1 -4 2 2 38.84 2.318 4 1.4 1 5 0 47.46 1.916 4 0.562 2 1 26.04 3.421 4 63.8 -2 0 4 39.12 2.303 2 1.9 3 3 3 47.57 1.912 4 7.20 2 2 26.13 3.410 4 7.4 3 1 3 39.13 2.302 4 4.5 5 3 0 47.59 1.911 4 1.43 1 1 26.90 3.314 4 8.3 5 1 0 39.17 2.300 4 1.3 4 2 3 47.77 1.904 4 4.71 3 0 28.60 3.121 4 5.0 -5 1 1 39.39 2.288 4 2.4 -5 3 1 47.78 1.904 4 24.6

-2 2 2 29.28 3.050 4 2.2 -1 3 3 39.84 2.263 4 1.4 -6 0 2 48.08 1.892 2 1.9-3 1 2 29.32 3.046 4 30.2 2 4 0 40.16 2.245 4 4.3 -1 1 5 48.25 1.886 4 1.7-1 1 3 29.69 3.009 4 14.3 1 1 4 40.23 2.242 4 7.6 -1 5 1 48.29 1.885 4 1.0-1 3 1 29.87 2.991 4 19.3 -2 4 1 40.93 2.205 4 5.6 1 3 4 48.50 1.877 4 0.294 0 0 30.20 2.959 2 38.3 1 3 3 40.95 2.204 4 2.0 4 4 0 48.51 1.876 4 0.041 3 1 30.35 2.945 4 34.3 5 1 1 41.25 2.189 4 3.7 1 5 1 48.61 1.873 4 1.11 1 3 31.11 2.874 4 27.5 2 4 1 41.66 2.168 4 4.6 -2 4 3 48.67 1.871 4 11.32 2 2 31.19 2.867 4 2.2 0 4 2 41.72 2.165 4 0.79 -4 4 1 48.86 1.864 4 2.53 1 2 32.15 2.784 4 33.0 3 3 2 41.78 2.162 4 0.33 5 3 1 49.39 1.845 4 2.10 2 3 33.58 2.669 4 0.26 4 2 2 41.82 2.160 4 3.9 1 1 5 49.84 1.830 4 0.44

-1 3 2 33.86 2.648 4 1.4 -5 1 2 41.88 2.157 4 2.5 6 2 0 49.90 1.828 4 3.8-4 0 2 33.97 2.639 2 3.5 0 2 4 42.05 2.149 4 2.4 -6 2 1 49.92 1.827 4 0.911 3 2 34.71 2.584 4 0.72 2 0 4 42.08 2.147 2 3.0 -5 3 2 49.93 1.826 4 0.02

WEI

Weineb

eneite

504030201002 theta (°)

70

60

50

40

30

20

10

0

-WEN Wenkite

CHEMICAL COMPOSITION: |Na0.5K0.5Ca5.5Ba3.5(SO4)3H2O| [Si11Al9O41(OH)2]Candoglia, Italy

REFINED COMPOSITION: |Na0.5K0.5Ca5.5Ba3.5S3(OH)12| [Si11Al9O41(OH)2]

CRYSTAL DATA: P62m (No. 189)a = 13.511 A b = 13.511 A c = 7.462 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: S. Merlino,Acta Cryst. B30 1262–1266 (1974).


1 0 0 7.56 11.701 6 0.12 4 0 1 32.89 2.723 12 15.0 4 1 2 42.92 2.107 24 1.70 0 1 11.86 7.462 2 24.9 3 0 2 33.23 2.696 12 32.7 5 1 0 43.04 2.102 12 2.51 1 0 13.11 6.755 6 27.7 3 2 0 33.38 2.684 12 68.0 3 0 3 43.13 2.097 12 21.91 0 1 14.08 6.292 12 12.0 4 1 0 35.15 2.553 12 3.6 5 1 1 44.80 2.023 24 0.492 0 0 15.14 5.850 6 3.9 3 2 1 35.54 2.526 24 2.4 2 2 3 45.27 2.003 12 2.31 1 1 17.71 5.008 12 17.5 2 2 2 35.86 2.504 12 16.3 5 0 2 45.77 1.982 12 8.62 0 1 19.28 4.604 12 32.1 0 0 3 36.11 2.487 2 3.1 3 1 3 45.97 1.974 24 8.82 1 0 20.08 4.423 12 4.3 3 1 2 36.70 2.449 24 30.9 6 0 0 46.57 1.950 6 3.73 0 0 22.80 3.900 6 0.11 1 0 3 36.95 2.433 12 0.09 3 3 2 47.14 1.928 12 3.92 1 1 23.38 3.805 24 31.6 4 1 1 37.22 2.416 24 18.6 4 3 0 47.25 1.924 12 2.50 0 2 23.85 3.731 2 32.5 5 0 0 38.47 2.340 6 19.1 4 2 2 47.81 1.902 24 0.951 0 2 25.05 3.555 12 56.8 1 1 3 38.57 2.334 12 5.5 4 0 3 48.01 1.895 12 10.63 0 1 25.77 3.457 12 100.0 4 0 2 39.13 2.302 12 7.7 6 0 1 48.23 1.887 12 0.022 2 0 26.39 3.378 6 62.5 2 0 3 39.36 2.289 12 15.1 5 2 0 48.59 1.874 12 1.61 1 2 27.31 3.266 12 4.2 3 3 0 40.04 2.252 6 7.1 0 0 4 48.82 1.865 2 19.53 1 0 27.48 3.245 12 63.2 5 0 1 40.39 2.233 12 65.5 4 3 1 48.89 1.863 24 10.22 0 2 28.37 3.146 12 83.0 4 2 0 40.81 2.211 12 1.1 1 0 4 49.47 1.842 12 0.742 2 1 29.02 3.077 12 20.1 3 2 2 41.44 2.179 24 19.0 5 1 2 49.80 1.831 24 1.63 1 1 30.03 2.976 24 26.9 2 1 3 41.66 2.168 24 5.1 3 2 3 49.99 1.824 24 22.64 0 0 30.56 2.925 6 0.15 3 3 1 41.90 2.156 12 3.02 1 2 31.37 2.852 24 37.4 4 2 1 42.64 2.120 24 23.8

-WEN

Wenkite

504030201002 theta (°)

100

90

80

70

60

50

40

30

20

10

0

YUG Yugawaralite

CHEMICAL COMPOSITION: |Ca2(H2O)8| [Si12Al4O32]Hvalfjordur, Iceland

REFINED COMPOSITION: |Ca2H15.82O8.136| [Si12Al4O32]

CRYSTAL DATA: P1c1 (No. 7; unique axis b, cell choice 1)a = 6.700 A b = 13.972 A c = 10.039 Aα = 90◦ β = 111.07◦ γ = 90◦

Neutron single crystal refinement at T = 13K, Rw = 0.045

REFERENCE: A. Kvick, G. Artioli and J. V. Smith,Z. Kristallogr. 174 265–281 (1986).


0 1 0 6.33 13.972 2 4.8 0 5 1 33.46 2.678 4 10.1 -2 5 2 43.08 2.099 4 1.30 1 1 11.37 7.781 4 8.1 1 3 2 33.75 2.655 4 4.0 -3 1 3 43.14 2.097 4 3.90 2 0 12.67 6.986 2 30.6 2 1 1 33.95 2.641 4 8.8 0 3 4 43.24 2.092 4 1.21 0 0 14.17 6.252 2 6.4 -2 3 2 34.13 2.627 4 8.3 0 6 2 43.39 2.085 4 0.89

-1 1 1 15.30 5.790 4 82.6 2 3 0 34.56 2.596 4 2.6 3 0 0 43.42 2.084 2 8.91 1 0 15.53 5.707 4 1.5 -2 2 3 34.95 2.567 4 5.0 2 5 0 43.43 2.083 4 0.860 2 1 15.82 5.600 4 2.4 -1 5 1 35.07 2.559 4 1.7 0 5 3 43.46 2.082 4 1.20 0 2 18.95 4.684 2 29.3 1 5 0 35.18 2.551 4 3.2 -1 6 2 43.50 2.081 4 0.821 2 0 19.05 4.659 4 51.1 2 2 1 35.78 2.510 4 1.0 -2 3 4 43.65 2.074 4 0.570 3 0 19.06 4.657 2 6.4 -1 0 4 35.78 2.509 2 4.3 1 6 1 43.76 2.069 4 0.88

-1 0 2 19.16 4.632 2 71.5 -1 1 4 36.37 2.470 4 5.5 -1 4 4 44.45 2.038 4 2.00 1 2 19.99 4.441 4 5.9 1 1 3 37.08 2.425 4 5.9 -3 2 3 44.65 2.029 4 0.62

-1 1 2 20.20 4.397 4 13.5 -2 4 1 37.19 2.417 4 2.5 2 3 2 44.68 2.028 4 0.551 1 1 20.71 4.288 4 34.9 0 5 2 37.48 2.400 4 2.6 1 4 3 45.05 2.012 4 1.70 3 1 21.30 4.170 4 18.1 -1 5 2 37.59 2.393 4 0.70 -3 3 2 45.18 2.007 4 2.50 2 2 22.86 3.890 4 6.7 -2 3 3 37.89 2.375 4 0.86 3 2 0 45.41 1.997 4 0.90

-1 2 2 23.04 3.860 4 2.2 1 4 2 37.92 2.372 4 0.82 -3 3 1 45.43 1.996 4 4.71 2 1 23.49 3.787 4 1.9 -1 2 4 38.10 2.362 4 9.4 0 7 0 45.44 1.996 2 1.1

-1 3 1 23.67 3.758 4 10.0 -2 4 2 38.27 2.352 4 0.68 -1 1 5 45.74 1.983 4 1.31 3 0 23.82 3.735 4 3.2 0 0 4 38.44 2.342 2 8.3 1 0 4 46.01 1.973 2 3.30 3 2 27.00 3.303 4 5.4 2 4 0 38.65 2.329 4 1.4 -2 5 3 46.23 1.964 4 0.44

-1 3 2 27.15 3.284 4 3.5 2 3 1 38.66 2.329 4 3.2 1 1 4 46.49 1.953 4 1.30 4 1 27.25 3.273 4 2.1 0 6 0 38.66 2.329 2 0.50 0 7 1 46.52 1.952 4 5.5

-2 1 1 27.39 3.256 4 6.5 0 4 3 38.68 2.328 4 1.4 -3 0 4 46.79 1.942 2 2.31 3 1 27.54 3.238 4 8.2 1 2 3 38.78 2.322 4 1.3 2 5 1 46.89 1.938 4 0.651 0 2 27.60 3.232 2 27.2 -2 0 4 38.89 2.316 2 2.1 -2 1 5 47.19 1.926 4 2.2

-1 1 3 27.70 3.220 4 11.1 0 1 4 38.99 2.310 4 1.0 -1 2 5 47.19 1.926 4 0.71-2 0 2 28.05 3.181 2 2.3 -2 1 4 39.44 2.285 4 1.1 -3 1 4 47.26 1.923 4 4.71 1 2 28.34 3.149 4 3.4 0 6 1 39.89 2.260 4 0.68 -1 6 3 47.76 1.904 4 2.12 0 0 28.55 3.126 2 7.7 2 1 2 40.56 2.224 4 0.95 3 3 0 47.81 1.902 4 0.71

-2 1 2 28.78 3.102 4 5.2 -3 0 2 40.56 2.224 2 1.2 1 7 0 47.84 1.901 4 1.82 1 0 29.28 3.051 4 1.6 0 2 4 40.63 2.221 4 1.1 1 2 4 47.92 1.898 4 0.811 4 0 29.29 3.049 4 100.0 -1 3 4 40.85 2.209 4 2.0 2 4 2 48.06 1.893 4 9.10 1 3 29.31 3.047 4 16.9 -2 2 4 41.06 2.198 4 2.5 3 1 1 48.48 1.878 4 0.46

-2 2 1 29.58 3.020 4 2.5 -3 1 2 41.10 2.196 4 0.80 2 1 3 48.48 1.878 4 1.9-1 2 3 29.87 2.991 4 3.9 -1 6 1 41.28 2.187 4 3.3 -3 4 2 48.53 1.876 4 0.851 2 2 30.47 2.933 4 14.9 -3 1 1 41.37 2.183 4 0.50 -2 2 5 48.60 1.873 4 1.00

-2 2 2 30.88 2.895 4 24.3 1 6 0 41.37 2.182 4 0.50 2 6 0 48.76 1.867 4 1.62 2 0 31.35 2.853 4 4.6 1 3 3 41.49 2.177 4 2.5 -3 4 1 48.77 1.867 4 1.70 2 3 31.38 2.851 4 1.0 -2 4 3 41.70 2.166 4 1.6 0 1 5 49.06 1.857 4 1.30 4 2 31.96 2.800 4 0.73 -2 5 1 42.12 2.146 4 1.8 -1 3 5 49.52 1.841 4 1.0

-1 4 2 32.09 2.789 4 0.51 2 2 2 42.14 2.144 4 2.4 0 7 2 49.65 1.836 4 0.581 4 1 32.43 2.761 4 14.7 -1 5 3 42.33 2.135 4 1.9 -1 7 2 49.74 1.833 4 0.75

-2 1 3 33.08 2.708 4 17.6 2 4 1 42.42 2.131 4 4.2 3 2 1 49.86 1.829 4 0.46-1 3 3 33.21 2.698 4 4.3 1 5 2 42.78 2.114 4 1.3 1 7 1 49.98 1.825 4 0.70

YU

GYugaw

aralite

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

ZON Tetramethylammonium ZAPO-M1

CHEMICAL COMPOSITION: |((CH3)4N)8| [Al24P32Zn8O128]((CH3)4N)+ = tetramethylammonium

REFINED COMPOSITION: |N8C42.656| [Al25Zn7P32O128]



REFERENCE: B. Marler, J. Patarin and L. Sierra,Microporous and Mesoporous Materials 5 151–159 (1995).


0 0 2 10.08 8.779 2 100.0 1 4 3 28.81 3.099 8 0.47 2 4 6 41.02 2.200 8 0.550 2 0 11.71 7.558 2 11.4 2 1 5 28.97 3.082 8 4.5 0 6 4 41.32 2.185 4 0.771 0 2 11.85 7.471 4 0.65 4 2 2 29.56 3.021 8 1.1 2 5 5 41.40 2.181 8 4.52 0 0 12.44 7.113 2 33.4 2 3 4 29.77 3.001 8 2.9 6 1 3 41.52 2.175 8 3.20 2 1 12.75 6.942 4 2.5 4 1 3 29.99 2.980 8 24.4 4 2 6 41.72 2.165 8 0.781 1 2 13.22 6.697 8 0.75 0 0 6 30.55 2.926 2 1.0 6 3 0 42.12 2.145 4 1.12 1 0 13.76 6.436 4 39.2 2 2 5 30.76 2.907 8 11.4 0 2 8 42.91 2.108 4 0.542 1 1 14.66 6.043 8 2.8 4 3 0 30.77 2.906 4 2.1 0 4 7 43.29 2.090 4 0.230 2 2 15.47 5.728 4 2.6 4 3 1 31.20 2.867 8 2.5 2 6 4 43.32 2.089 8 0.592 2 0 17.12 5.180 4 0.39 0 4 4 31.23 2.864 4 1.1 4 4 5 43.41 2.084 8 0.582 2 1 17.85 4.968 8 0.79 2 5 1 32.58 2.748 8 6.5 6 3 2 43.42 2.084 8 0.260 2 3 19.18 4.627 4 25.1 0 2 6 32.82 2.729 4 12.2 2 1 8 43.57 2.077 8 0.542 2 2 19.90 4.461 8 51.1 4 1 4 32.95 2.718 8 3.7 2 7 0 43.81 2.066 4 0.300 0 4 20.23 4.389 2 2.0 2 1 6 33.64 2.664 8 3.5 4 3 6 43.91 2.062 8 4.03 1 1 20.27 4.381 8 0.79 2 4 4 33.74 2.657 8 1.5 4 6 0 44.05 2.056 4 0.322 1 3 20.51 4.330 8 61.5 2 5 2 33.79 2.652 8 0.65 2 7 1 44.13 2.052 8 0.901 3 2 21.27 4.178 8 0.23 4 3 3 34.46 2.603 8 3.4 0 6 5 44.24 2.047 4 1.63 0 2 21.30 4.172 4 0.35 4 2 4 34.56 2.595 8 0.67 4 1 7 44.61 2.031 8 0.232 3 0 21.61 4.112 4 15.6 0 4 5 34.88 2.572 4 0.32 2 2 8 44.85 2.021 8 0.612 3 1 22.20 4.003 8 1.5 2 2 6 35.23 2.548 8 4.1 2 5 6 44.95 2.016 8 0.322 2 3 22.93 3.879 8 29.5 0 6 0 35.63 2.520 2 0.45 2 7 2 45.07 2.011 8 0.440 2 4 23.44 3.796 4 5.7 2 5 3 35.73 2.513 8 9.2 6 2 4 45.08 2.011 8 0.240 4 0 23.54 3.779 2 14.8 0 6 1 36.01 2.494 4 1.6 4 6 2 45.30 2.002 8 0.412 0 4 23.82 3.735 4 27.6 4 1 5 36.44 2.465 8 1.5 4 2 7 45.87 1.978 8 0.772 3 2 23.90 3.724 8 4.7 3 5 2 36.71 2.448 8 0.24 6 4 2 46.38 1.958 8 0.510 4 1 24.09 3.695 4 13.5 0 6 2 37.12 2.422 4 1.1 2 7 3 46.61 1.949 8 0.301 2 4 24.27 3.667 8 0.46 2 4 5 37.17 2.419 8 1.5 4 5 5 47.19 1.926 8 0.822 1 4 24.55 3.626 8 1.8 2 6 0 37.88 2.375 4 1.4 6 2 5 47.83 1.902 8 0.763 1 3 24.87 3.580 8 0.24 6 0 0 37.95 2.371 2 2.4 6 4 3 47.88 1.900 8 0.444 0 0 25.04 3.556 2 2.4 4 4 3 37.99 2.368 8 0.68 0 4 8 47.93 1.898 4 2.10 4 2 25.66 3.471 4 40.5 2 6 1 38.24 2.353 8 2.8 0 8 0 48.15 1.890 2 0.544 1 0 25.73 3.462 4 1.8 1 2 7 38.34 2.348 8 0.29 0 8 1 48.45 1.879 4 0.594 1 1 26.24 3.397 8 13.1 6 1 0 38.43 2.342 4 1.7 2 1 9 48.78 1.867 8 1.61 4 2 26.43 3.372 8 0.31 6 1 1 38.78 2.322 8 1.3 2 5 7 48.89 1.863 8 0.452 2 4 26.62 3.349 8 2.9 0 4 6 38.92 2.314 4 2.0 0 8 2 49.33 1.847 4 0.682 4 0 26.71 3.337 4 0.56 4 5 0 39.10 2.304 4 4.2 4 7 0 49.37 1.846 4 1.04 0 2 27.05 3.296 4 0.92 2 6 2 39.30 2.293 8 1.6 2 6 6 49.42 1.844 8 0.242 4 1 27.20 3.279 8 0.47 4 5 1 39.45 2.284 8 1.9 6 0 6 49.48 1.842 4 0.333 0 4 27.69 3.221 4 0.36 1 4 6 39.46 2.284 8 0.26 4 7 1 49.66 1.836 8 1.34 1 2 27.70 3.221 8 24.0 4 0 6 39.90 2.260 4 0.34 6 3 5 49.81 1.831 8 1.54 2 0 27.72 3.218 4 0.95 2 2 7 39.94 2.257 8 2.3 6 1 6 49.87 1.829 8 0.250 2 5 28.02 3.185 4 0.38 4 3 5 40.29 2.239 8 0.56 6 4 4 49.93 1.826 8 0.240 4 3 28.11 3.175 4 1.4 4 1 6 40.36 2.235 8 0.76 2 8 0 49.94 1.826 4 0.284 2 1 28.19 3.165 8 0.60 4 5 2 40.48 2.228 8 0.70 5 2 7 49.95 1.826 8 0.272 4 2 28.61 3.120 8 4.6 2 6 3 41.01 2.201 8 0.46 6 5 2 49.98 1.825 8 0.60

ZO

NTetram

ethylamm

oniumZAPO

-M1

504030201002 theta (°)

70

60

50

40

30

20

10

0

ZON UiO-7, aluminophosphate

CHEMICAL COMPOSITION: |((CH3)4NF)8| [Al32P32O128]((CH3)4NF) = tetramethyl ammonium fluroide

REFINED COMPOSITION: |(C4NF)8| [Al32P32O128]



REFERENCE: D. E. Akporiaye, H. Fjellvag, E. N. Halvorsen, J. Hustveit, A. Karlssonand K. P. Lillerud, J. Phys. Chem. 10 16641–16646 (1996).


0 0 2 10.66 8.300 2 100.0 4 2 2 29.25 3.053 8 3.0 2 3 6 39.04 2.307 8 0.460 2 0 11.54 7.667 2 10.5 4 1 3 29.99 2.979 8 17.3 6 1 2 39.19 2.299 8 0.372 0 0 12.18 7.266 2 33.1 2 1 5 30.16 2.963 8 2.2 5 4 1 39.27 2.294 8 1.30 2 1 12.72 6.961 4 3.8 4 3 0 30.18 2.961 4 4.1 5 2 4 39.64 2.274 8 0.612 1 0 13.48 6.567 4 53.1 3 4 1 30.21 2.958 8 2.3 0 4 6 40.19 2.244 4 1.31 2 1 14.11 6.278 8 0.50 1 5 1 30.27 2.953 8 1.0 4 4 4 40.53 2.226 8 0.382 1 1 14.51 6.106 8 3.6 2 3 4 30.35 2.945 8 1.9 4 0 6 41.00 2.201 4 0.520 2 2 15.73 5.632 4 0.53 4 3 1 30.67 2.915 8 1.7 6 1 3 41.10 2.196 8 2.12 1 2 17.22 5.150 8 1.4 3 2 4 30.67 2.915 8 0.67 6 3 0 41.24 2.189 4 2.11 1 3 18.10 4.900 8 0.62 2 4 3 30.93 2.891 8 0.53 0 6 4 41.49 2.176 4 3.50 2 3 19.79 4.487 4 25.0 5 1 1 31.79 2.814 8 0.38 2 2 7 41.76 2.163 8 2.12 2 2 19.95 4.452 8 31.9 2 2 5 31.85 2.810 8 8.6 2 5 5 41.99 2.152 8 3.73 1 1 19.95 4.450 8 0.66 4 3 2 32.09 2.789 8 0.70 2 7 0 43.13 2.097 4 0.362 1 3 20.99 4.232 8 66.0 2 5 1 32.13 2.785 8 6.1 4 6 0 43.28 2.090 4 0.933 0 2 21.24 4.184 4 0.88 5 0 2 32.64 2.743 4 0.41 2 6 4 43.41 2.085 8 1.62 3 0 21.25 4.181 4 23.1 5 2 1 33.41 2.682 8 0.40 2 7 1 43.49 2.081 8 1.31 3 2 21.31 4.169 8 3.9 2 5 2 33.50 2.675 8 1.5 0 0 8 43.62 2.075 2 0.350 0 4 21.41 4.150 2 0.66 3 4 3 33.94 2.642 8 0.47 4 4 5 43.84 2.065 8 1.32 3 1 21.92 4.054 8 3.4 4 3 3 34.35 2.611 8 1.1 6 4 0 44.23 2.048 4 1.61 0 4 22.28 3.991 4 0.45 0 2 6 34.46 2.603 4 8.1 7 1 1 44.37 2.042 8 0.533 2 1 22.36 3.976 8 1.7 2 3 5 34.49 2.600 8 0.70 4 3 6 44.83 2.022 8 3.81 1 4 23.03 3.862 8 3.4 2 0 6 34.69 2.586 4 0.48 6 2 4 44.91 2.018 8 1.90 4 0 23.20 3.833 2 10.1 0 6 0 35.11 2.556 2 0.75 0 2 8 45.27 2.003 4 0.482 2 3 23.30 3.818 8 28.6 2 1 6 35.20 2.550 8 3.6 2 0 8 45.45 1.995 4 0.980 4 1 23.82 3.735 4 12.9 0 6 1 35.54 2.526 4 0.58 6 4 2 45.63 1.988 8 0.512 3 2 23.83 3.734 8 4.1 2 5 3 35.68 2.516 8 9.4 2 1 8 45.86 1.979 8 1.43 2 2 24.23 3.673 8 0.78 0 4 5 35.78 2.510 4 0.34 2 5 6 45.90 1.977 8 0.580 2 4 24.39 3.650 4 1.9 2 2 6 36.68 2.450 8 1.7 4 1 7 46.09 1.969 8 0.431 3 3 24.49 3.635 8 0.49 0 6 2 36.80 2.443 4 3.0 2 6 5 46.55 1.951 8 1.64 0 0 24.50 3.633 2 2.5 5 2 3 36.84 2.439 8 0.44 2 2 8 47.06 1.931 8 0.661 4 1 24.61 3.618 8 1.8 1 5 4 36.97 2.432 8 1.8 4 2 7 47.28 1.922 8 0.692 0 4 24.70 3.604 4 15.9 6 0 0 37.12 2.422 2 2.9 6 4 3 47.33 1.920 8 0.521 2 4 25.16 3.540 8 1.3 2 6 0 37.30 2.411 4 1.6 4 5 5 47.49 1.915 8 1.34 1 0 25.19 3.535 4 6.8 4 3 4 37.30 2.411 8 0.76 7 3 1 47.59 1.911 8 0.412 1 4 25.39 3.508 8 1.1 6 1 0 37.59 2.393 4 2.7 0 8 1 47.77 1.904 4 1.20 4 2 25.60 3.480 4 22.0 2 6 1 37.70 2.386 8 1.1 6 2 5 47.98 1.896 8 1.14 1 1 25.76 3.458 8 15.3 5 0 4 37.79 2.381 4 0.51 4 7 0 48.53 1.876 4 0.822 4 0 26.28 3.391 4 0.94 4 4 3 37.79 2.381 8 1.7 2 7 4 48.64 1.872 8 2.14 0 2 26.78 3.328 4 2.5 2 4 5 37.93 2.372 8 1.2 0 8 2 48.76 1.868 4 0.344 2 0 27.16 3.283 4 2.4 6 1 1 38.00 2.368 8 1.1 4 7 1 48.86 1.864 8 1.52 2 4 27.34 3.262 8 0.36 3 5 3 38.36 2.347 8 0.89 6 5 2 49.17 1.853 8 1.34 1 2 27.42 3.253 8 7.5 4 5 0 38.41 2.344 4 1.2 4 3 7 49.22 1.851 8 0.431 1 5 28.18 3.167 8 0.46 6 0 2 38.72 2.325 4 0.49 2 8 1 49.48 1.842 8 0.822 4 2 28.43 3.139 8 1.2 4 5 1 38.81 2.321 8 1.2 6 3 5 49.90 1.827 8 1.01 4 3 28.99 3.080 8 0.37 2 6 2 38.90 2.315 8 3.6 0 4 8 49.98 1.825 4 3.0

ZO

NU

iO-7,

aluminophosphate

504030201002 theta (°)

70

60

50

40

30

20

10

0

ZON Gallophosphate DAB-2

CHEMICAL COMPOSITION: |(DABCO)8(HF)16| [Ga32P32O128]DABCO = 1,4-diazabicyclo-(2,2,2)-octane = C6H12N2

REFINED COMPOSITION: |(C6H14N2+2 )8F

−16| [Ga32P32O128]



REFERENCE: A. Meden, R. W. Grosse-Kunstleve, C. Baerlocher and L. B. McCusker,Z. Kristallogr. 212 801–807 (1997).


0 0 2 10.31 8.578 2 100.0 1 5 1 29.15 3.064 8 1.9 6 0 2 39.58 2.277 4 1.60 2 0 11.09 7.980 2 17.3 2 1 5 29.46 3.032 8 6.4 6 1 2 40.00 2.254 8 0.920 2 1 12.23 7.235 4 3.5 4 2 2 29.49 3.029 8 3.7 4 3 5 40.33 2.236 8 4.72 0 0 12.49 7.085 2 33.5 2 3 4 29.57 3.020 8 5.6 1 6 4 40.41 2.232 8 2.61 1 2 13.28 6.667 8 2.2 3 4 1 29.77 3.001 8 2.7 5 4 2 40.43 2.231 8 0.732 1 0 13.67 6.475 4 32.4 2 4 3 30.08 2.971 8 6.5 2 2 7 40.55 2.224 8 3.42 1 1 14.62 6.058 8 1.6 4 1 3 30.20 2.959 8 27.4 2 5 5 40.65 2.219 8 2.22 0 2 16.23 5.463 4 2.3 4 3 0 30.31 2.949 4 4.0 4 1 6 40.95 2.204 8 0.662 2 0 16.73 5.298 4 1.3 1 5 2 30.54 2.927 8 8.2 4 5 3 41.21 2.190 8 0.682 1 2 17.16 5.168 8 3.6 0 4 4 30.60 2.921 4 2.3 6 1 3 41.77 2.163 8 1.02 2 1 17.52 5.062 8 0.79 4 3 1 30.77 2.906 8 0.78 6 3 0 41.85 2.158 4 3.20 2 3 19.09 4.648 4 23.6 2 2 5 31.05 2.880 8 17.7 2 7 1 41.96 2.153 8 1.02 2 2 19.69 4.508 8 40.1 3 4 2 31.14 2.872 8 0.84 3 6 3 42.07 2.148 8 1.51 3 2 20.62 4.307 8 8.4 2 5 1 31.17 2.869 8 9.4 3 2 7 43.10 2.099 8 1.40 0 4 20.71 4.289 2 3.9 4 2 3 31.76 2.818 8 0.97 4 4 5 43.14 2.097 8 1.52 1 3 20.72 4.286 8 53.6 1 0 6 31.93 2.803 4 0.77 0 4 7 43.33 2.088 4 1.42 3 0 20.88 4.254 4 15.3 1 1 6 32.43 2.761 8 7.1 0 2 8 43.71 2.071 4 1.32 3 1 21.52 4.129 8 2.4 2 5 2 32.49 2.756 8 4.1 4 3 6 44.12 2.053 8 0.673 1 2 22.20 4.005 8 1.4 2 4 4 33.17 2.701 8 1.7 2 0 8 44.12 2.053 4 0.930 4 0 22.28 3.990 2 5.3 0 2 6 33.28 2.692 4 5.3 2 6 5 44.98 2.015 8 0.721 1 4 22.36 3.976 8 2.7 2 3 5 33.55 2.671 8 0.70 5 0 6 45.04 2.013 4 0.733 2 1 22.48 3.955 8 10.3 0 6 0 33.70 2.660 2 1.8 6 2 4 45.28 2.003 8 1.02 2 3 22.88 3.886 8 22.2 5 2 1 33.97 2.639 8 2.9 0 8 0 45.47 1.995 2 0.800 4 1 22.88 3.886 4 5.1 0 6 1 34.11 2.628 4 1.0 1 7 4 45.51 1.993 8 1.42 3 2 23.34 3.811 8 1.4 4 3 3 34.21 2.621 8 2.1 2 2 8 45.64 1.988 8 2.40 2 4 23.55 3.778 4 3.9 2 1 6 34.28 2.616 8 1.4 0 8 1 45.79 1.982 4 0.991 3 3 23.69 3.756 8 0.99 2 5 3 34.58 2.594 8 10.0 6 4 2 45.89 1.978 8 1.12 0 4 24.26 3.669 4 13.0 0 6 2 35.33 2.541 4 0.67 4 5 5 46.55 1.951 8 0.750 4 2 24.61 3.618 4 31.5 3 5 2 35.52 2.527 8 1.2 7 2 1 46.59 1.949 8 2.13 1 3 25.08 3.550 8 0.88 1 5 4 35.63 2.520 8 2.4 2 7 4 46.92 1.936 8 1.24 0 0 25.14 3.542 2 5.1 2 2 6 35.68 2.516 8 5.3 6 3 4 47.13 1.928 8 0.843 3 1 25.75 3.459 8 3.2 2 6 0 36.07 2.490 4 10.2 2 8 0 47.34 1.920 4 1.54 1 0 25.76 3.458 4 3.0 2 4 5 36.80 2.442 8 3.0 4 7 0 47.42 1.917 4 1.24 1 1 26.29 3.390 8 9.1 4 1 5 36.90 2.436 8 4.5 2 8 1 47.65 1.908 8 1.62 2 4 26.74 3.334 8 5.1 4 4 3 37.41 2.404 8 2.7 4 7 1 47.73 1.905 8 1.33 2 3 26.91 3.313 8 1.9 2 6 2 37.61 2.391 8 4.2 5 6 2 48.10 1.892 8 1.54 0 2 27.24 3.274 4 2.8 1 1 7 37.67 2.388 8 0.79 6 2 5 48.14 1.890 8 1.50 4 3 27.25 3.272 4 0.96 2 3 6 37.91 2.373 8 0.83 0 4 8 48.17 1.889 4 4.33 3 2 27.31 3.266 8 1.7 6 0 0 38.10 2.362 2 2.9 6 5 1 48.23 1.887 8 1.21 3 4 27.44 3.250 8 3.7 4 5 1 38.32 2.349 8 1.7 4 3 7 48.29 1.885 8 1.24 2 0 27.55 3.238 4 7.1 0 2 7 38.42 2.343 4 0.98 6 5 2 49.15 1.854 8 2.82 4 2 27.69 3.222 8 3.0 6 1 0 38.54 2.336 4 5.9 5 6 3 49.63 1.837 8 1.04 1 2 27.81 3.207 8 4.9 0 4 6 38.74 2.324 4 3.5 2 7 5 49.71 1.834 8 1.34 2 1 28.04 3.182 8 0.73 3 6 1 39.22 2.297 8 1.5 2 1 9 49.87 1.829 8 1.23 0 4 28.10 3.175 4 2.1 1 4 6 39.28 2.293 8 2.0 2 4 8 49.97 1.825 8 0.72

ZO

NG

allophosphateD

AB-2

504030201002 theta (°)

60

50

40

30

20

10

0

Alpha Cristobalite

CHEMICAL COMPOSITION: [Si4O8]Ellora, Hyderabad, India




REFERENCE: W. A. Dollase,Z. Kristallogr. 121 369–377 (1965).


1 0 1 22.00 4.041 8 100.0 2 0 0 36.15 2.485 4 14.0 1 0 3 43.13 2.097 8 0.151 1 0 25.34 3.514 4 0.66 1 1 2 36.38 2.469 8 4.3 2 0 2 44.86 2.020 8 2.61 1 1 28.47 3.135 8 9.0 2 0 1 38.48 2.340 8 0.06 1 1 3 47.03 1.932 8 5.21 0 2 31.44 2.845 8 11.2 2 1 1 42.72 2.117 16 2.7 2 1 2 48.65 1.872 16 5.4

Alpha

Cristobalite

504030201002 theta (°)

16

14

12

10

8

6

4

2

0

Keatite

CHEMICAL COMPOSITION: [Si12O24]Synthetic material



X-ray single crystal refinement, Rhk0 = 0.129, Rhhl = 0.098

REFERENCE: J. Shropshire, P. P. Keat and P. A. Vaughan,Z. Kristallogr. 112 409–413 (1959).


1 0 1 15.72 5.638 8 4.4 2 2 0 33.99 2.638 4 0.34 3 1 2 43.76 2.069 16 1.91 1 0 16.81 5.275 4 0.20 2 1 2 34.00 2.637 16 0.28 1 0 4 43.77 2.068 8 0.781 1 1 19.74 4.498 8 11.0 1 1 3 35.61 2.521 8 1.6 3 2 1 45.06 2.012 16 0.072 0 0 23.86 3.730 4 0.69 3 0 1 37.65 2.389 8 0.15 1 1 4 45.51 1.993 8 0.711 0 2 23.86 3.729 8 39.8 3 1 0 38.15 2.359 8 0.11 2 2 3 46.78 1.942 8 0.012 0 1 26.03 3.423 8 100.0 3 1 1 39.61 2.275 16 0.74 3 0 3 48.43 1.879 8 6.52 1 0 26.72 3.336 8 0.46 2 2 2 40.09 2.249 8 3.2 4 0 0 48.83 1.865 4 7.81 1 2 26.73 3.335 8 20.7 2 1 3 41.50 2.176 16 3.7 3 2 2 48.84 1.865 16 2.62 1 1 28.70 3.111 16 15.5 3 0 2 41.96 2.153 8 0.01 2 0 4 48.85 1.864 8 0.062 0 2 31.74 2.819 8 0.37 0 0 4 41.97 2.152 2 1.21 0 3 33.45 2.679 8 0.03 3 2 0 43.75 2.069 8 0.16

Keatite

504030201002 theta (°)

45

40

35

30

25

20

15

10

5

0

Moganite

CHEMICAL COMPOSITION: [Si12O24]Mogan formation, Gran Canaria, Canary Islands



REFERENCE: G. Miehe and H. Graetsch,Eur. J. Mineral. 4 693–706 (1992).


0 0 2 16.55 5.357 2 0.24 0 2 0 36.87 2.438 2 9.2 2 2 0 42.43 2.130 4 9.50 1 1 20.01 4.438 4 45.7 -2 1 3 37.34 2.408 4 0.14 -4 0 2 44.69 2.028 2 1.92 0 0 20.28 4.379 2 22.3 2 1 3 37.38 2.406 4 1.3 4 0 2 44.73 2.026 2 3.8

-2 0 2 26.27 3.393 2 47.4 -1 2 1 39.27 2.294 4 3.3 2 2 2 45.85 1.979 4 0.512 0 2 26.30 3.388 2 75.5 1 2 1 39.27 2.294 4 5.0 -4 1 1 46.22 1.964 4 0.45

-1 1 2 26.73 3.336 4 100.0 -2 0 4 39.41 2.287 2 7.6 4 1 1 46.24 1.963 4 3.01 1 2 26.74 3.333 4 57.3 2 0 4 39.46 2.284 2 0.57 -1 2 3 46.25 1.963 4 0.52

-2 1 1 28.63 3.118 4 26.7 -3 1 2 39.70 2.270 4 0.43 1 2 3 46.27 1.962 4 0.452 1 1 28.65 3.116 4 12.1 3 1 2 39.74 2.268 4 0.43 0 1 5 46.28 1.962 4 0.570 1 3 31.04 2.881 4 16.4 1 1 4 39.76 2.267 4 4.2 3 2 1 49.45 1.843 4 0.030 0 4 33.45 2.679 2 0.96 0 2 2 40.66 2.219 4 0.91 -3 1 4 49.81 1.831 4 11.23 1 0 35.85 2.505 4 1.2 4 0 0 41.23 2.189 2 6.8 3 1 4 49.87 1.828 4 12.5

Moganite

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

Alpha Quartz

CHEMICAL COMPOSITION: [Si3O6]Dextro-rotatory synthetic material




REFERENCE: L. Levien, C. T. Prewitt and D. J. Weidner,American Mineralogist 65 920–930 (1980).


0 0 1 16.40 5.405 2 6.1 0 0 2 33.15 2.703 2 0.87 1 1 1 40.31 2.238 12 14.01 0 0 20.86 4.257 6 55.3 1 1 0 36.56 2.458 6 1.4 2 0 0 42.46 2.129 6 10.80 1 1 26.65 3.345 6 14.9 1 0 2 39.49 2.282 6 1.6 0 2 1 45.81 1.981 6 2.21 0 1 26.65 3.345 6 100.0 0 1 2 39.49 2.282 6 22.8 2 0 1 45.81 1.981 6 5.1

Alpha

Quartz

504030201002 theta (°)

504846444240383634323028262422201816141210

86420

Tridymite

CHEMICAL COMPOSITION: [Si48O96]From the Steinbach meteorite, Harvard Museum, U.S.A.




REFERENCE: W. A. Dollase and W. H. Baur,American Mineralogist 61 971–978 (1976).


0 0 2 7.72 11.454 2 0.38 1 1 7 34.24 2.619 4 4.1 -8 0 8 44.18 2.050 2 2.62 0 0 9.93 8.911 2 0.20 -5 1 6 34.41 2.607 4 2.6 -5 1 10 44.61 2.031 4 0.732 0 2 14.16 6.255 2 0.23 4 0 6 34.87 2.573 2 1.1 4 2 3 44.70 2.027 4 0.151 1 0 18.42 4.817 4 0.61 5 1 3 35.43 2.533 4 3.4 -4 2 6 45.03 2.013 4 0.16

-1 1 1 18.54 4.785 4 0.16 2 0 8 35.44 2.533 2 0.15 1 1 10 45.06 2.012 4 0.21-4 0 2 19.31 4.597 2 2.4 -3 1 8 35.71 2.514 4 0.37 -2 2 7 45.06 2.012 4 0.61-1 1 2 19.46 4.562 4 1.1 0 2 0 35.90 2.502 2 20.9 0 2 7 45.65 1.987 4 0.251 1 2 20.52 4.328 4 100.0 3 1 6 36.03 2.493 4 11.0 -3 1 11 45.80 1.981 4 0.732 0 4 20.59 4.313 2 56.5 0 2 1 36.12 2.487 4 0.11 -2 0 12 45.81 1.981 2 0.34

-1 1 3 21.07 4.217 4 1.7 -5 1 7 36.53 2.460 4 0.45 2 2 6 46.01 1.973 4 0.64-4 0 4 21.68 4.100 2 82.5 -2 0 10 37.79 2.381 2 0.45 3 1 9 46.17 1.966 4 0.321 1 3 22.54 3.945 4 0.34 0 2 3 37.84 2.377 4 0.13 5 1 7 46.18 1.966 4 0.15

-2 0 6 22.70 3.917 2 0.59 -1 1 9 38.78 2.322 4 0.62 -1 1 11 46.20 1.965 4 0.13-3 1 1 22.88 3.887 4 1.3 -3 1 9 38.90 2.315 4 0.19 -4 0 12 46.36 1.959 2 0.72-1 1 4 23.24 3.828 4 27.0 -7 1 1 38.92 2.314 4 0.33 4 2 4 46.48 1.954 4 0.323 1 0 23.24 3.827 4 26.8 -5 1 8 38.97 2.311 4 1.8 7 1 4 46.49 1.953 4 0.200 0 6 23.30 3.818 2 15.7 -7 1 4 38.98 2.311 4 4.6 -7 1 9 46.71 1.945 4 1.24 0 2 23.31 3.816 2 15.0 -4 0 10 39.00 2.309 2 2.3 -6 2 3 46.88 1.938 4 0.15

-3 1 3 24.11 3.691 4 0.40 -8 0 2 39.03 2.308 2 6.7 -6 2 1 46.95 1.935 4 0.203 1 1 24.24 3.671 4 3.1 3 1 7 39.24 2.296 4 0.44 -6 2 4 47.37 1.919 4 0.33

-3 1 4 25.62 3.476 4 0.46 7 1 0 39.72 2.269 4 0.21 -2 2 8 47.50 1.914 4 0.233 1 2 25.81 3.452 4 2.5 -7 1 5 39.82 2.264 4 0.17 6 2 0 47.52 1.913 4 0.27

-1 1 5 25.83 3.449 4 2.3 5 1 5 40.30 2.238 4 2.3 0 0 12 47.63 1.909 2 0.21-4 0 6 26.27 3.392 2 4.5 7 1 1 40.91 2.206 4 0.39 8 0 4 47.66 1.908 2 0.31-3 1 5 27.62 3.229 4 3.5 -8 0 6 40.96 2.203 2 0.63 -5 1 11 47.76 1.904 4 0.142 0 6 27.82 3.207 2 1.5 -2 2 5 41.03 2.200 4 0.25 -9 1 3 47.79 1.903 4 0.921 1 5 27.84 3.204 4 1.3 -7 1 6 41.04 2.199 4 0.11 -9 1 2 48.02 1.895 4 0.133 1 3 27.85 3.203 4 0.75 0 2 5 41.11 2.196 4 0.14 -6 2 5 48.21 1.887 4 0.184 0 4 28.54 3.128 2 0.92 1 1 9 41.32 2.185 4 1.6 -9 1 5 48.38 1.881 4 0.59

-6 0 2 28.92 3.087 2 1.1 2 2 4 41.74 2.164 4 0.28 6 2 1 48.43 1.880 4 0.24-6 0 4 29.87 2.991 2 0.11 4 0 8 41.89 2.156 2 0.26 2 2 7 48.55 1.875 4 0.13-3 1 6 30.02 2.977 4 6.1 4 2 1 42.13 2.145 4 0.17 -9 1 1 48.59 1.874 4 0.29-5 1 2 30.03 2.976 4 7.3 -3 1 10 42.27 2.138 4 0.40 -8 0 10 48.62 1.872 2 0.59-2 0 8 30.06 2.972 2 4.5 -4 2 4 42.32 2.135 4 2.4 1 1 11 48.91 1.862 4 0.186 0 0 30.08 2.970 2 5.1 -1 1 10 42.43 2.131 4 0.16 7 1 5 48.93 1.861 4 0.55

-5 1 1 30.16 2.963 4 0.95 7 1 2 42.45 2.129 4 0.32 -4 2 8 49.00 1.859 4 0.783 1 4 30.28 2.951 4 2.1 -7 1 7 42.61 2.122 4 0.56 -7 1 10 49.17 1.853 4 0.19

-5 1 3 30.41 2.939 4 2.1 3 1 8 42.63 2.121 4 1.9 -9 1 6 49.19 1.852 4 0.311 1 6 30.94 2.890 4 0.45 -6 0 10 42.77 2.114 2 0.18 -6 0 12 49.20 1.852 2 0.32

-5 1 4 31.30 2.858 4 0.15 -2 2 6 42.89 2.108 4 0.15 -10 0 4 49.23 1.851 2 0.27-1 1 7 31.91 2.805 4 0.54 5 1 6 43.13 2.097 4 0.40 -6 2 6 49.39 1.845 4 0.105 1 1 31.92 2.803 4 1.9 0 2 6 43.24 2.092 4 3.0 9 1 0 49.50 1.841 4 0.20

-4 0 8 32.22 2.778 2 5.5 4 2 2 43.24 2.092 4 2.7 6 2 2 49.67 1.836 4 0.20-5 1 5 32.64 2.743 4 0.40 2 0 10 43.38 2.086 2 2.0 3 1 10 49.85 1.829 4 0.76-3 1 7 32.73 2.736 4 1.2 6 0 6 43.40 2.085 2 1.3 6 0 8 49.90 1.828 2 1.1

Tridym

ite

504030201002 theta (°)

80

70

60

50

40

30

20

10

0

POWDER PATTERN SIMULATIONS

OF DISORDERED INTERGROWTHS

AEI–

CH

Afam

ily

90

80

70

60

50

40

30

20

10

0

3020100

2 theta (°)

CHA

AEI

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

100

110

Beta

family,

polym

orphA

(*BEA)

–polym

orphB

120

110

100

90

80

70

60

50

40

30

20

10

0

50403020100

2 theta (°)

*BEA

B

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

SSZ33/S

SZ26

family,

polym

orphA

–polym

orphB

140

130

120

110

100

90

80

70

60

50

40

30

20

10

0

50403020100

2 theta (°)

A

B (CON)

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

Faujasite

family,

FAU

–EM

T

110

100

90

80

70

60

50

40

30

20

10

0

50403020100

2 theta (°)

FAU

0.1

EMT

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

ZSM

5/ZSM

11fam

ily,M

FI–

MEL

150

140

130

120

110

100

90

80

70

60

50

40

30

20

10

0

50403020100

2 theta (°)

MFI

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

MEL

Offretite

–Erionite

family

150

140

130

120

110

100

90

80

70

60

50

40

30

20

10

0

50403020100

2 theta (°)

OFF

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

ERI

ZSM

48fam

ily,Endm

ember

6–

Endm

ember

7

90

100

110

80

70

60

50

40

30

20

10

0

3020100

2 theta (°)

End-member 6, ZSM-48(B)

End-member 7

0.1

0.2

0.3

0.4

0.5

0.6

0.7

0.8

0.9

ATOMIC COORDINATES

ABWLi-ABW

REFINED COMPOSITION: |Li4(H2O)4| [Si4Al4O16]



REFERENCE: E. Krogh Andersen and G. Ploug-Sørensen,Z. Kristallogr. 176 67–73 (1986).

Atom x y z Biso occ

Li 0.1862 0.6849 0.2520 1.57 1.0Si 0.3544 0.3757 0.2492 0.44 1.0Al 0.1593 0.0810 0.2500 0.4 1.0O 1 0.0061 0.1584 0.1970 0.75 1.0O 2 0.2736 0.2198 0.1391 0.97 1.0O 3 0.1912 0.0399 0.5907 0.76 1.0O 4 0.1804 -0.1008 0.0689 0.68 1.0H 1 0.5497 0.1798 0.8651 4.0 1.0H 2 0.4965 0.0587 0.5773 4.2 1.0O 5 0.4891 0.0903 -0.2395 2.93 1.0

ACO ACP-1

REFINED COMPOSITION: |C8N8O2| [Co8P8O32]

CRYSTAL DATA: I42m (No. 121)a = 10.240 A b = 10.240 A c = 9.652 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: P. Feng, X. Bu and G. D. Stucky,Nature 388 735–741 (1997).

Atom x y z Biso occ

Co 0.6332 0.3668 0.1316 3.79 0.89Al 0.6332 0.3668 0.1316 3.79 0.11P 0.6647 0.3353 0.8092 4.34 1.0O 1 0.6999 0.3001 0.9553 5.37 1.0O 2 0.4818 0.3036 0.2179 6.0 1.0O 3 0.7417 0.2583 0.7049 11.2 1.0N 0.5 0.1847 0.5 4.03 1.0C 0.5017 0.0444 0.568 3.0 0.5O 10 0.5 0.5 0.0 4.82 0.5O 20 0.5 0.5 0.5 8.37 0.5

AEIAlPO–18, Calcined




REFERENCE: A. Simmen, L. B. McCusker, Ch. Baerlocher and W. M. Meier,Zeolites 11 654–661 (1991). Ch. Baerlocher, Private communication.

Atom x y z Biso occ

Al 1 0.88997 0.95872 0.16598 0.75 1.0Al 2 0.88129 0.22661 0.93877 0.96 1.0Al 3 0.22953 0.09687 0.04922 1.42 1.0P 1 0.77251 0.09559 0.05384 1.42 1.0P 2 0.10981 0.23135 0.93763 0.96 1.0P 3 0.11634 0.96983 0.16394 0.75 1.0O 1 0.17723 0.05318 0.12913 0.72 1.0O 2 0.14278 0.16702 0.00209 0.72 1.0O 3 0.00371 0.25884 0.94574 0.72 1.0O 4 0.84714 0.16747 0.02039 0.72 1.0O 5 0.81686 0.04552 0.12009 0.72 1.0O 6 0.01022 0.99732 0.15632 0.72 1.0O 7 0.13601 0.86260 0.13230 0.72 1.0O 8 0.33199 0.16953 0.06981 0.72 1.0O 9 0.85795 0.96546 0.25665 0.72 1.0O 10 0.81531 0.33988 0.92509 0.72 1.0O 11 0.12779 0.16274 0.87230 0.72 1.0O 12 0.26213 -0.01281 0.99849 0.72 1.0

AEL AlPO–11, Calcined




REFERENCE: J. W. Richardson, Jr., J. J. Pluth and J. V. Smith,Acta Cryst. B44 367–373 (1988).

Atom x y z Biso occ

Al 1 0.134 0.035 -0.199 2.76 1.0Al 2 0.949 0.102 0.317 3.54 1.0Al 3 0.850 0.250 -0.185 1.89 1.0P 1 0.143 0.025 0.182 2.76 1.0P 2 0.953 0.104 -0.306 3.54 1.0P 3 0.857 0.250 0.185 1.89 1.0O 1 0.143 0.039 0.000 12.15 1.0O 2 0.945 0.105 0.517 6.09 1.0O 3 0.860 0.250 0.024 9.72 1.0O 4 0.242 0.068 0.243 5.04 1.0O 5 0.068 0.088 0.252 5.37 1.0O 51 0.057 0.091 -0.257 5.37 1.0O 6 0.118 0.955 0.232 8.52 1.0O 61 0.125 0.954 -0.264 8.52 1.0O 7 0.913 0.179 0.232 8.76 1.0O 71 0.909 0.177 -0.263 8.76 1.0O 8 0.762 0.250 0.234 7.02 1.0

AELDi-isopropylamine MnAPO–11

REFINED COMPOSITION: |C15.5N2.58| [Al20.54P18.22O80]



REFERENCE: J. J. Pluth, J. V. Smith and J. W. Richardson, Jr.,J. Phys. Chem. 92 2734–2738 (1988).

Atom x y z Biso occ

Al 1 0.1390 0.0331 -0.203 3.553 1.034Al 2 0.9501 0.1060 0.294 3.553 1.028Al 3 0.8565 0.250 -0.208 2.921 1.010P 1 0.1464 0.0365 0.170 3.324 0.913P 2 0.9515 0.10846 -0.334 3.024 0.912P 3 0.8621 0.250 0.163 2.661 0.904O 1 0.1430 0.0364 0.000 9.396 1.0O 2 0.9515 0.1120 0.491 10.185 1.0O 3 0.8542 0.250 0.001 10.422 1.0O 4 0.2455 0.0612 0.228 6.711 1.0O 5 0.0690 0.0874 0.234 6.632 1.0O 51 0.0564 0.0974 -0.277 6.79 1.0O 6 0.1250 0.9611 0.232 7.106 1.0O 61 0.1158 0.9498 -0.276 7.896 1.0O 7 0.9175 0.1863 0.221 8.764 1.0O 71 0.9169 0.1786 -0.267 8.922 1.0O 8 0.7620 0.250 0.227 9.554 1.0C 1 0.250 0.250 0.073 21.318 0.646C 2 0.246 0.250 0.346 21.318 0.646C 3 0.3449 0.250 0.457 13.738 1.292C 4 0.161 0.250 0.448 17.371 1.292N 0.301 0.206 0.242 17.371 0.323

AEN AlPO-EN3

REFINED COMPOSITION: |(C8N8O8)(H2O)8| [P24Al24O96]


X-ray single crystal refinement. R = 0.140, Rw = 0.182, RF2 = 0.103

REFERENCE: R. M. Kirchner, R. W. Grosse-Kunstleve, J. J. Pluth, S. T. Wilson,R. W. Broach and J. V. Smith,Microporous and Mesoporous Materials 39 319–332 (2000).

Atom x y z Biso occ

P 1 0.8718 0.0088 0.0463 1.05 1.0P 2 0.1248 0.3179 0.1721 1.05 1.0P 3 0.1135 0.8170 0.8271 1.05 1.0P 4 0.8810 0.4973 0.9579 1.05 1.0P 5 0.1237 0.7200 0.0851 1.05 1.0P 6 0.1289 0.2104 0.9227 1.05 1.0Al 1 0.1124 0.9905 0.9460 1.22 1.0Al 2 0.8750 0.8123 0.1446 1.22 1.0Al 3 0.1226 0.4884 0.0590 1.22 1.0Al 4 0.8804 0.3091 0.8580 1.22 1.0Al 5 0.9268 0.7311 0.9514 1.22 1.0Al 6 0.9210 0.2354 0.0511 1.22 1.0O 1 0.8514 0.2491 0.9560 0.83 1.0O 2 0.8494 0.7656 0.0421 0.83 1.0O 3 0.9414 0.1067 0.0646 0.83 1.0O 4 0.9102 0.6021 0.9286 0.83 1.0O 5 0.8696 0.4348 0.8842 0.83 1.0O 6 0.8749 0.9373 0.1152 0.83 1.0O 7 0.1273 0.6078 0.0976 0.83 1.0O 8 0.0863 0.1051 0.9013 0.83 1.0O 9 0.0864 0.2483 0.0029 0.83 1.0O 10 0.9660 0.4661 0.0268 0.83 1.0O 11 0.9946 0.2866 0.1359 0.83 1.0O 12 0.9674 0.9566 0.9900 0.83 1.0O 13 0.0440 0.7717 0.1486 0.83 1.0O 14 0.2307 0.2390 0.1688 0.83 1.0O 15 0.1777 0.4108 0.1322 0.83 1.0O 16 0.9831 0.7730 0.8558 0.83 1.0O 17 0.0876 0.7357 0.9998 0.83 1.0O 18 0.0946 0.3485 0.2546 0.83 1.0O 19 0.7355 0.0268 0.0144 0.83 1.0O 20 0.2163 0.7365 0.8383 0.83 1.0O 21 0.9102 0.3467 0.7561 0.83 1.0O 22 0.2701 0.7347 0.0944 0.83 1.0O 23 0.7596 0.2456 0.1026 0.83 1.0O 24 0.0393 0.2626 0.8658 0.83 1.0O 25 0.8490 0.4091 0.6274 0.83 1.0O 26 0.7580 0.4987 0.4900 0.83 1.0H2O 1 0.7788 0.3736 0.2476 4.74 1.0H2O 2 0.7142 0.1702 0.2521 7.11 1.0

continued . . .

AENAlPO-EN3

. . . continued from previous page

Atom x y z Biso occ

N 1 0.0457 0.5689 0.2542 3.95 1.0C 1 0.9121 0.5366 0.2338 3.95 1.0N 2 0.4381 0.4467 0.2655 3.95 1.0C 2 0.3506 0.5317 0.2604 3.95 1.0

AET AlPO–8




REFERENCE: J. W. Richardson, Jr. and E. T. C. Vogt,Zeolites 12 13–19 (1992).

Atom x y z Biso occ

Si 11 0.1904 0.416 0.066 -1.3 1.0Si 12 0.0 0.132 -0.028 12.4 1.0Si 21 0.0878 0.094 0.055 -0.1 1.0Si 22 0.2740 0.404 -0.061 -0.1 1.0Si 23 0.1573 0.226 -0.071 -0.1 1.0O 11 0.1767 0.5 0.0 0.3 1.0O 12 0.0 0.0 0.0 12.8 1.0O 21 0.1772 0.402 0.25 -0.7 1.0O 22 0.0 0.127 -0.25 12.5 1.0O 31 0.0456 0.133 0.018 2.0 1.0O 32 0.2317 0.394 0.020 3.0 1.0O 33 0.1580 0.324 0.031 3.0 1.0O 41 0.1993 0.175 0.017 3.0 1.0O 42 0.0906 0.0 0.0 3.0 1.0O 51 0.0847 0.096 0.25 6.6 1.0O 52 0.2590 0.378 -0.25 6.6 1.0O 53 0.1444 0.232 -0.25 6.6 1.0O 61 0.1154 0.174 0.002 3.0 1.0O 62 0.2865 0.5 0.0 3.0 1.0

Aluminophosphate material refined assuming SiO2 compositionin a higher space group symmetry.

AFGAfghanite

REFINED COMPOSITION: |(Na10.134K5.304Ca9.332)((SO4)6Cl5.8F0.18)| [Si24Al24O96]Pitigliano, Tuscany, Italy



REFERENCE: P. Ballirano, E. Bonaccorsi, A. Maras and S. Merlino,Eur. J. Mineral. 9 21–30 (1997).

Atom x y z Biso occ

Si 1 0.253 0.0 0.495 0.39 1.0Al 1 0.7412 0.0 0.9952 0.92 1.0Si 2 0.9234 0.5849 0.3687 0.72 1.0Al 2 0.0784 0.4032 0.8684 0.69 1.0Si 3 0.0056 0.257 0.2445 0.72 1.0Al 3 0.004 0.7424 0.745 0.45 1.0Si 4 0.9232 0.5851 0.1217 0.59 1.0Al 4 0.0783 0.4035 0.622 0.55 1.0O 1 0.342 0.333 0.6773 2.01 1.0O 2 0.669 0.68 0.182 1.53 1.0O 3 0.348 0.345 0.8062 1.27 1.0O 4 0.663 0.668 0.302 1.53 1.0O 5 0.122 0.887 0.7462 1.16 1.0O 6 0.336 0.335 0.4281 2.1 1.0O 7 0.674 0.677 0.9335 1.69 1.0O 8 0.3516 0.3424 0.0554 1.21 1.0O 9 0.658 0.669 0.5508 1.74 1.0O 10 0.121 0.883 0.0028 2.45 1.0O 11 0.117 0.887 0.4947 1.71 1.0O 12 0.118 0.884 0.2491 1.76 1.0O 13 0.458 0.5465 0.6257 2.31 1.0O 14 0.4562 0.5482 0.875 1.59 1.0O 15 0.2113 0.7732 0.6264 1.64 1.0O 16 0.2128 0.7715 0.866 1.48 1.0Ca 1 0.0 0.0 0.0 1.38 1.0Ca 2 0.0 0.0 0.25 1.29 1.0Ca 3 0.3333 0.6667 0.6296 1.03 0.9Ca 31 0.3333 0.6667 0.66 1.03 0.1Ca 4 0.3333 0.6667 0.8791 1.16 0.9Ca 41 0.3333 0.6667 0.853 1.16 0.1Cl 1 0.0 0.0 0.1237 5.53 1.0Cl 2 0.0 0.0 0.3739 6.28 1.0Cl 3 0.3333 0.6667 0.7527 9.14 0.9F 0.4018 0.5995 0.7452 3.95 0.03K 1 0.4432 0.2235 0.8651 3.06 0.218Ca 1 0.4432 0.2235 0.8651 3.06 0.092Na 1 0.4432 0.2235 0.8651 3.06 0.364K 11 0.386 0.199 0.86 3.06 0.1K 2 0.5054 0.5014 0.9912 2.98 0.243

continued . . .

AFG Afghanite


Atom x y z Biso occ

Ca 22 0.5054 0.5014 0.9912 2.98 0.103Na 2 0.5054 0.5014 0.9912 2.98 0.423K 3 0.5211 0.4845 0.7412 3.15 0.012Ca 32 0.5211 0.4845 0.7412 3.15 0.005Na 3 0.5211 0.4845 0.7412 3.15 0.573K 4 0.423 0.21 0.6238 2.69 0.051Ca 42 0.423 0.21 0.6238 2.69 0.022Na 4 0.423 0.21 0.6238 2.69 0.329K 41 0.456 0.236 0.6163 2.69 0.26S 1 0.3333 0.6667 0.2475 3.39 1.0S 2 0.3333 0.6667 0.4625 3.51 1.0S 3 0.3333 0.6667 0.0301 4.2 1.0O 17 0.444 0.744 0.278 7.26 0.3333O 18 0.4 0.619 0.208 9.26 0.3333O 19 0.4 0.64 0.296 10.95 0.3333O 20 0.432 0.762 0.214 14.96 0.3333O 21 0.3333 0.6667 0.5231 9.89 1.0O 22 0.211 0.608 0.442 6.91 1.0O 23 0.206 0.587 0.073 12.8 0.3333O 24 0.215 0.608 0.042 9.88 0.6667O 25 0.265 0.635 0.97 12.6 0.3333

AFITetrapropylammonium Fluoride AlPO-5

REFINED COMPOSITION: |C12NF| [Al12P12O48]

CRYSTAL DATA: P6cc (No. 184)a = 13.740 A b = 13.740 A c = 8.474 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: S. Qiu, W. Pang, H. Kessler and J. L. Guth,Zeolites 9 440–444 (1989).

Atom x y z Biso occ

P 0.4529 0.3281 0.053 2.25 1.0Al 0.4571 0.3382 0.425 1.89 1.0O 1 0.4214 0.209 0.008 4.18 1.0O 2 0.4550 0.3299 0.251 5.33 1.0O 3 0.3658 0.3597 0.004 4.11 1.0O 4 0.5742 0.4175 0.007 5.03 1.0C 1 0.104 0.041 0.666 3.95 0.1667C 2 0.125 0.979 0.750 3.95 0.1667C 3 0.104 0.979 0.416 3.95 0.1667C 4 0.000 0.895 0.500 3.95 0.1667C 5 0.041 0.895 0.359 3.95 0.1667C 6 0.082 0.957 0.221 3.95 0.1667N 0.000 0.000 0.543 3.95 0.5F 0.500 0.500 0.317 3.95 0.1667

AFN AlPO–14, Calcined



X-ray Rietveld refinement, RF = 0.059, RP = 0.114, RwP = 0.135

REFERENCE: R. W. Broach, S. T. Wilson and R. M. Kirchner,in Proceedings of the 12th International Zeolite Conference,Ed. by M. M. J. Treacy, B. K. Marcus, J. B. Higgins and M. E. Bisher(Materials Research Society: Warrendale) vol. III 1715–1722 (1999).

Atom x y z Biso occ

Al 1 0.2730 0.7425 0.8445 0.79 1.0Al 2 0.4322 0.2004 0.9080 0.79 1.0Al 3 0.8141 0.0506 0.6558 0.79 1.0Al 4 0.0699 0.4732 0.2015 0.79 1.0P 1 0.5246 0.9351 0.7996 1.03 1.0P 2 0.2010 0.4282 0.9010 1.03 1.0P 3 0.9511 0.1884 0.3437 1.03 1.0P 4 0.7520 0.2740 0.8400 1.03 1.0O 1 0.0766 0.4368 0.8348 0.79 1.0O 2 0.3024 0.3126 0.8628 0.79 1.0O 3 0.7757 0.2329 -0.0177 0.79 1.0O 4 0.4396 0.6420 0.8307 0.79 1.0O 5 0.4431 0.8367 0.7641 0.79 1.0O 6 0.2989 0.5607 0.8480 0.79 1.0O 7 0.0245 0.3297 0.3318 0.79 1.0O 8 0.8582 0.1495 0.4864 0.79 1.0O 9 0.9407 0.9216 0.6755 0.79 1.0O 10 0.1609 0.4094 0.0595 0.79 1.0O 11 0.8659 0.1898 0.2366 0.79 1.0O 12 0.6009 0.2911 0.8439 0.79 1.0O 13 0.8048 0.1556 0.7691 0.79 1.0O 14 0.3519 0.0299 0.3184 0.79 1.0O 15 0.4183 0.1391 0.0786 0.79 1.0O 16 0.8210 0.4141 0.7623 0.79 1.0

AFOAlPO–41, Calcined




REFERENCE: R. M. Kirchner and J. M. Bennett,Zeolites 14 523–528 (1994).

Atom x y z Biso occ

Al 1 0.562 0.122 0.638 1.97 1.0Al 2 0.852 0.278 0.124 1.97 1.0Al 3 0.725 0.443 0.627 1.97 1.0Al 4 0.826 0.666 0.142 1.97 1.0Al 5 0.580 0.743 0.672 1.97 1.0P 1 0.548 0.096 0.022 1.97 1.0P 2 0.859 0.284 0.499 1.97 1.0P 3 0.713 0.440 0.008 1.97 1.0P 4 0.828 0.671 0.518 1.97 1.0P 5 0.561 0.716 0.016 1.97 1.0O 1 0.449 0.138 0.146 3.0 1.0O 2 0.543 0.127 0.839 3.0 1.0O 3 0.708 0.156 0.042 3.0 1.0O 4 0.518 0.976 0.048 3.0 1.0O 5 0.835 0.385 0.548 3.0 1.0O 6 -0.006 0.294 0.559 3.0 1.0O 7 0.743 0.158 0.549 3.0 1.0O 8 0.855 0.258 0.313 3.0 1.0O 9 0.825 0.393 0.057 3.0 1.0O 10 0.752 0.551 0.110 3.0 1.0O 11 0.545 0.342 0.019 3.0 1.0O 12 0.751 0.448 0.827 3.0 1.0O 13 0.754 0.745 0.620 3.0 1.0O 14 0.775 0.554 0.572 3.0 1.0O 15 0.801 0.683 0.327 3.0 1.0O 16 -0.022 0.730 0.555 3.0 1.0O 17 0.744 0.742 0.061 3.0 1.0O 18 0.534 0.679 0.834 3.0 1.0O 19 0.546 0.806 0.089 3.0 1.0O 20 0.464 0.605 0.089 3.0 1.0

AFR Tetrapropylammonium SAPO–40

REFINED COMPOSITION: |((C3H7)4N)4| [Al32P32O128]

CRYSTAL DATA: Pccn (No. 56)a = 21.9443 A b = 13.6911 A c = 14.2486 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: L. B. McCusker and Ch. Baerlocher,Microporous and Mesoporous Materials 6 51–54 (1996).

Atom x y z Biso occ

Al 1 0.0860 0.1417 0.2174 1.03 1.0Al 2 0.1778 0.3624 0.0553 1.03 1.0Al 3 -0.0119 0.3639 0.0615 1.03 1.0Al 4 0.0833 0.0482 -0.0764 1.03 1.0P 1 0.0858 0.3652 0.2198 1.03 1.0P 2 0.1804 0.1295 0.0587 1.03 1.0P 3 -0.0125 0.1420 0.0587 1.03 1.0P 4 0.0836 0.4489 -0.0808 1.03 1.0O 1 0.0954 0.2605 0.2514 0.79 1.0O 2 0.1471 0.1050 0.1506 0.79 1.0O 3 0.0207 0.1285 0.1529 0.79 1.0O 4 0.0812 0.0682 0.3134 0.79 1.0O 5 0.1372 0.3945 0.1554 0.79 1.0O 6 0.0265 0.3770 0.1677 0.79 1.0O 7 0.0857 0.4322 0.3036 0.79 1.0O 8 0.1751 0.2388 0.0401 0.79 1.0O 9 0.2525 0.4007 0.0687 0.79 1.0O 10 0.1454 0.4190 -0.0410 0.79 1.0O 11 0.1521 0.0719 -0.0229 0.79 1.0O 12 -0.0369 0.2460 0.0526 0.79 1.0O 13 0.0341 0.3867 -0.0342 0.79 1.0O 14 -0.0741 0.4414 0.0607 0.79 1.0O 15 0.0297 0.1238 -0.0260 0.79 1.0O 16 -0.0659 0.0720 0.0550 0.79 1.0N 0.25 -0.25 -0.0080 5.53 1.0C 1 0.1994 -0.2871 0.0541 5.53 1.0C 2 0.1726 -0.2012 0.1130 5.53 1.0C 3 0.1186 -0.2388 0.1727 5.53 1.0C 4 0.2243 -0.1690 -0.0669 5.53 1.0C 5 0.2730 -0.1304 -0.1357 5.53 1.0C 6 0.2487 -0.0377 -0.1838 5.53 1.0H 11 0.1665 -0.3160 0.0142 0.0 1.0H 12 0.2158 -0.3382 0.0972 0.0 1.0H 21 0.1580 -0.1485 0.0698 0.0 1.0H 22 0.2049 -0.1744 0.1552 0.0 1.0H 31 0.1332 -0.2913 0.2160 0.0 1.0H 32 0.0863 -0.2656 0.1304 0.0 1.0H 33 0.1014 -0.1836 0.2103 0.0 1.0H 41 0.2107 -0.1145 -0.0250 0.0 1.0H 42 0.1886 -0.1940 -0.1032 0.0 1.0

continued . . .

AFRTetrapropylammonium SAPO–40


Atom x y z Biso occ

H 51 0.3111 -0.1145 -0.1004 0.0 1.0H 52 0.2819 -0.1812 -0.1841 0.0 1.0H 61 0.2307 0.0069 -0.1353 0.0 1.0H 62 0.2165 -0.0559 -0.2303 0.0 1.0H 63 0.2828 -0.0035 -0.2167 0.0 1.0

AFS Di-n-propylamine MAPSO–46

REFINED COMPOSITION: |(C4N)6| [Al28P28O112]

CRYSTAL DATA: P3c1 (No. 158)a = 13.2251 A b = 13.2251 A c = 26.8922 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: J. M. Bennett and B. K. Marcus,in Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37 )Ed. by P. J. Grobet, W. J. Mortier, E. F. Vansant and G. Schulz-Ekloff(Elsevier: Amsterdam) 269–279 (1988).And J. M. Bennett, Private communication.

Atom x y z Biso occ

Al 1 0.00000 0.00000 0.06457 1.55 1.0Al 2 0.46967 0.31584 0.13168 2.55 1.0Al 3 0.19875 0.96524 0.18925 1.04 1.0Al 4 0.46726 0.11576 0.30775 1.42 1.0Al 5 0.19352 0.17290 0.36246 1.46 1.0Al 6 0.66667 0.33333 0.43950 1.39 1.0P 1 0.66667 0.33333 0.06039 1.22 1.0P 2 0.19862 0.18082 0.13165 1.62 1.0P 3 0.46965 0.10767 0.19050 1.02 1.0P 4 0.20093 0.96592 0.30722 1.73 1.0P 5 0.46960 0.31962 0.36555 1.16 1.0P 6 0.00000 0.00000 0.43771 1.6 1.0O 12 0.9846 0.1174 0.5852 1.75 1.0O 16 0.0000 0.0000 0.9957 2.49 1.0O 21 0.6875 0.2336 0.0819 1.36 1.0O 22 0.7350 0.0649 0.1160 1.02 1.0O 231 0.9192 0.4727 0.1661 2.29 1.0O 23 0.7826 0.2713 0.1759 1.91 1.0O 32 0.1515 0.2587 0.1616 2.65 1.0O 321 0.1910 0.0927 0.1748 1.96 1.0O 33 0.3389 0.9936 0.1796 2.58 1.0O 34 0.1638 0.2199 0.7555 3.21 1.0O 43 0.8976 0.5052 0.7477 1.74 1.0O 44 0.3218 0.0036 0.3158 1.95 1.0O 45 0.5189 0.4365 0.3483 1.15 1.0O 451 0.4884 0.2442 0.3316 2.85 1.0O 54 0.1405 0.2616 0.3398 1.76 1.0O 541 0.1867 0.0777 0.3187 2.29 1.0O 55 0.7279 0.0750 0.3741 2.09 1.0O 56 0.9997 0.8889 0.4222 2.66 1.0O 61 0.6666 0.3333 0.0081 2.85 1.0O 65 0.7979 0.4676 0.4151 2.54 1.0C 1 0.2968 0.1621 0.5117 4.0 1.0C 11 0.0527 0.3242 0.4726 4.0 1.0C 21 0.3242 0.4316 0.9472 4.0 1.0C 2 0.9726 0.7011 0.5117 4.0 1.0N 0.3242 0.0800 0.4863 4.0 1.0

AFTAlPO–52, Calcined, Rehydrated



X-ray Rietveld refinement, Rexp = 0.130, Rwp = 0.197, Rp = 0.173

REFERENCE: N. K. McGuire, C. A. Bateman, C. S. Blackwell, S. T. Wilsonand R. M. Kirchner, Zeolites 15 460–469 (1995).

Atom x y z Biso occ

Al 1 0.231 0.000 0.198 1.97 1.0Al 2 0.341 0.445 0.469 1.97 1.0Al 3 0.435 0.326 0.635 1.97 1.0P 1 0.225 0.223 0.202 1.97 1.0P 2 0.339 0.448 0.368 1.97 1.0P 3 0.435 0.329 0.534 1.97 1.0O 1 0.267 0.007 0.253 1.97 1.0O 2 0.234 0.125 0.182 1.97 1.0O 3 0.097 -0.103 0.195 1.97 1.0O 4 0.317 -0.026 0.163 1.97 1.0O 5 0.344 0.413 0.414 1.97 1.0O 6 0.362 0.354 0.503 1.97 1.0O 7 0.445 0.581 0.477 1.97 1.0O 8 0.223 0.453 0.487 1.97 1.0O 9 0.302 0.323 0.170 1.97 1.0O 10 0.472 0.224 0.648 1.97 1.0O 11 0.550 0.452 0.651 1.97 1.0O 12 0.394 0.318 0.580 1.97 1.0

AFX SAPO–56




REFERENCE: N. K. McGuire, C. S. Blackwell, C. A. Bateman, S. T. Wilson andR. M. Kirchner, Microporous and Mesoporous Materials 28 125–137 (1999).

Atom x y z Biso occ

Al 1 0.001 0.225 0.077 1.185 1.0Al 2 0.338 0.439 0.173 1.185 1.0P 1 0.107 0.441 0.179 1.422 1.0P 2 0.231 0.229 0.079 1.422 1.0O 1 -0.126 0.112 0.104 1.974 1.0O 2 0.105 0.189 0.093 1.974 1.0O 3 0.024 0.348 0.119 1.974 1.0O 4 0.013 0.277 -0.006 1.974 1.0O 5 0.231 0.469 0.159 1.974 1.0O 6 0.095 0.54 0.143 1.974 1.0O 7 0.073 0.4 0.242 1.974 1.0O 8 0.319 0.323 0.125 1.974 1.0

AFYDi-n-propylamine CoAPO–50

REFINED COMPOSITION: |(C4N)6| [Al6Co2P8O32]



REFERENCE: J. M. Bennett and B. K. Marcus,in Innovations in Zeolite Material Science (Stud. Surf. Sci. Catal. No. 37 )Ed. by P. J. Grobet, W. J. Mortier, E. F. Vansant and G. Schulz-Ekloff(Elsevier: Amsterdam) 269–279 (1988).and J. M. Bennett, Private communication.

Atom x y z Biso occ

Al 0.85585 0.32535 0.40999 0.09 1.0Co 0.33333 0.66667 0.18423 0.24 1.0P 1 0.66667 0.33333 0.19314 0.23 1.0P 2 0.32138 0.86415 0.38454 0.23 1.0O 31 0.85934 0.44164 0.52440 0.29 1.0O 32 0.39760 0.20587 0.52481 0.39 1.0O 11 0.54705 0.23176 0.25047 0.45 1.0O 12 0.20298 0.50794 0.24269 0.36 1.0O 14 0.33333 0.66667 -0.02687 0.36 1.0O 2 0.35660 0.99417 0.35229 0.44 1.0C 1 0.40093 0.40351 0.07477 8.9 1.0C 11 0.21931 0.21598 0.20291 10.03 1.0C 2 0.46509 0.00622 0.04137 14.41 1.0C 21 0.34138 0.32934 0.23073 17.57 1.0N 0.28549 0.01616 0.90866 20.45 1.0

AHT AlPO – H2




REFERENCE: J. B. Higgins, R. M. Dessau, H-X. Li, M. E. Davis and J.M. Newsam,American Crystallographic Association Abstracts K005 39 (1993).

Atom x y z Biso occ

Al 1 0.0 0.215 0.139 1.263 1.0Al 2 0.347 0.303 0.664 1.263 1.0Al 3 0.348 0.037 0.134 1.263 1.0P 1 0.007 0.094 0.526 1.263 1.0P 2 0.366 0.349 0.064 1.263 1.0P 3 0.373 0.038 0.537 1.263 1.0O 1 0.014 0.067 0.013 2.052 1.0O 2 0.0 0.116 0.337 2.052 1.0O 3 0.229 0.347 0.165 2.052 1.0O 4 0.419 0.234 0.112 2.052 1.0O 5 0.352 0.333 0.876 2.052 1.0O 6 0.512 0.523 0.067 2.052 1.0O 7 0.16 0.254 0.576 2.052 1.0O 8 -0.229 0.112 0.111 2.052 1.0O 9 0.406 0.166 0.661 2.052 1.0O 10 0.362 0.035 0.348 2.052 1.0O 11 0.525 0.038 0.605 2.052 1.0O 12 -0.138 0.097 0.608 2.052 1.0H2O 1 0.016 0.277 -0.097 1.815 0.5H2O 2 -0.045 0.384 0.196 1.815 0.5H2O 3 0.262 0.615 0.365 2.607 0.5H2O 4 0.752 0.408 0.265 2.607 0.5

ANAAnalcime

REFINED COMPOSITION: |Na16(H2O)16| [Si32Al16O96]Cyclopean Islands, Greece

CRYSTAL DATA: Ia3d (No. 230)a = 13.73 A b = 13.73 A c = 13.73 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: G. Ferraris, D. W. Jones and J. Yerkess,Z. Kristallogr. 135 240–252 (1972).

Atom x y z Biso occ

Na 0.125 0.0 0.25 0.32 0.6667Si 0.66208 -0.41208 0.125 0.14 0.6667Al 0.66208 -0.41208 0.125 0.14 0.3333O 1 0.10428 0.13440 0.71932 0.29 1.0H 1 0.0791 0.0791 0.0791 1.05 0.25H 2 0.1402 0.1006 0.0548 0.83 0.25O 2 0.125 0.125 0.125 0.69 1.0

O1 z-coordinate changed from 0.21932 to 0.71932.

APC AlPO–C, Hydrated

REFINED COMPOSITION: |(H2O)16O8| [Al16P16O64]



REFERENCE: J. J. Pluth and J. V. Smith,Acta Cryst. C42 1118–1120 (1986).

Atom x y z Biso occ

Al 1 0.44808 0.08470 0.32419 0.23 1.0Al 2 0.28207 0.33224 0.14654 0.21 1.0P 1 0.44769 0.34071 0.13498 0.22 1.0P 2 0.29050 0.06565 0.33879 0.21 1.0O 1 0.37433 0.3765 0.1701 0.39 1.0O 2 0.46047 0.1662 0.4804 0.45 1.0O 3 0.49520 0.4497 0.1971 0.42 1.0O 4 0.46889 0.2004 0.1942 0.34 1.0O 5 0.27397 0.0582 0.4913 0.29 1.0O 6 0.36522 0.0190 0.3136 0.42 1.0O 7 0.28329 0.2158 0.2953 0.34 1.0O 8 0.25855 0.4758 0.2592 0.29 1.0H 1 0.15752 0.2988 0.0523 5.26 1.0H 2 0.16096 0.2574 0.1883 3.95 1.0H 3 0.28123 0.1025 0.0541 1.74 1.0H 4 0.30108 0.1902 0.9490 1.42 1.0O 9 0.18446 0.2831 0.1193 0.58 1.0O 10 0.30512 0.1730 0.0340 0.39 1.0O 11 0.11929 0.1440 0.3627 1.5 1.0

The third water molecule (O11) is missing hydrogen atoms.

APCAlPO–C, Dehydrated





Atom x y z Biso occ

Al 1 0.455 0.160 0.360 0.3 1.0Al 2 0.297 0.423 0.197 1.5 1.0P 1 0.456 0.424 0.206 2.7 1.0P 2 0.293 0.145 0.346 0.3 1.0O 1 0.384 0.465 0.222 9.0 1.0O 2 0.465 0.143 0.546 0.7 1.0O 3 0.500 0.539 0.238 1.5 1.0O 4 0.476 0.317 0.323 0.5 1.0O 5 0.280 0.110 0.506 1.3 1.0O 6 0.370 0.124 0.313 5.1 1.0O 7 0.278 0.284 0.297 0.1 1.0O 8 0.249 0.560 0.241 3.3 1.0

APD AlPO–D





Atom x y z Biso occ

Al 11 0.531 0.065 0.133 9.1 1.0Al 12 0.572 0.574 0.385 4.0 1.0Al 21 0.721 0.074 0.320 0.2 1.0Al 22 0.681 0.572 0.026 0.8 1.0P 11 0.574 -0.031 0.421 6.9 1.0P 12 0.529 0.473 0.107 2.5 1.0P 21 0.680 -0.051 0.040 0.8 1.0P 22 0.724 0.453 0.298 0.2 1.0O 11 0.645 0.035 0.406 1.3 1.0O 12 0.593 0.526 0.031 0.0 1.0O 21 0.531 0.284 0.130 8.7 1.0O 22 0.584 0.784 0.418 4.0 1.0O 31 0.540 0.017 0.553 6.4 1.0O 32 0.469 0.518 0.019 0.8 1.0O 41 0.532 0.018 0.302 5.1 1.0O 42 0.524 0.557 0.238 0.8 1.0O 51 0.691 0.773 0.060 4.0 1.0O 52 0.734 0.278 0.320 8.0 1.0O 61 0.601 -0.015 0.045 0.7 1.0O 62 0.655 0.498 0.361 9.4 1.0O 71 0.716 0.025 0.154 0.8 1.0O 72 0.724 0.478 0.150 0.8 1.0O 81 0.789 -0.010 0.405 0.8 1.0O 82 0.719 0.539 0.869 6.2 1.0

ASTQuinuclidine AlPO–16


CRYSTAL DATA: F23 (No. 196)a = 13.3832 A b = 13.3832 A c = 13.3832 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: J. M. Bennett and R. M. Kirchner,Zeolites 11 502–506 (1991).

Atom x y z Biso occ

Al 1 0.1186 0.1186 0.1186 6.4 1.0P 1 -0.1116 0.1116 0.1116 5.2 1.0P 2 0.2500 0.2500 0.2500 4.4 1.0Al 2 -0.2500 0.2500 0.2500 2.5 1.0O 1 -0.0078 0.1285 0.1495 3.0 1.0O 2 0.1915 0.1915 0.1915 5.0 1.0O 3 -0.1704 0.1704 0.1704 8.0 1.0N 0.0560 0.4329 0.0424 6.0 0.0833C 1 0.0056 0.3916 -0.0462 6.0 0.0833C 2 -0.0601 0.4680 -0.0973 6.0 0.0833C 3 0.1159 0.5193 0.0103 6.0 0.0833C 4 0.0529 0.5988 -0.0393 6.0 0.0833C 5 -0.0214 0.4689 0.1118 6.0 0.0833C 6 -0.0878 0.5472 0.0646 6.0 0.0833C 7 -0.0552 0.5662 -0.0418 6.0 0.0833H 11 0.0566 0.3668 -0.0939 7.0 0.0833H 12 -0.0351 0.3331 -0.0261 7.0 0.0833H 21 -0.0382 0.4774 -0.1673 7.0 0.0833H 22 -0.1300 0.4437 -0.0995 7.0 0.0833H 31 0.1506 0.5481 0.0691 7.0 0.0833H 32 0.1686 0.4965 -0.0364 7.0 0.0833H 41 0.0592 0.6627 -0.0025 7.0 0.0833H 42 0.0772 0.6110 -0.1081 7.0 0.0833H 51 -0.0626 0.4116 0.1344 7.0 0.0833H 52 0.0122 0.4970 0.1722 7.0 0.0833H 61 -0.1583 0.5246 0.0658 7.0 0.0833H 62 -0.0845 0.6099 0.1036 7.0 0.0833H 7 -0.0978 0.6173 -0.0741 7.0 0.0833

AST Quinuclidinium fluoride octadecasil

REFINED COMPOSITION: |C6.18F0.07| [Si20O40]



REFERENCE: P. Caullet, J. L. Guth, J. Hazm, J. M. Lamblin and H. Gies,Eur. J. Solid State Inorg. Chem. 28 345–361 (1991).

Atom x y z Biso occ

Si 1 0.2303 0.0387 0.1137 0.61 1.0Si 2 0.5 0.0 0.25 0.47 1.0O 1 0.3724 0.0659 0.1817 0.96 1.0O 2 0.3308 0.6201 0.3583 1.27 1.0O 3 0.2883 0.0502 0.0 1.36 1.0C 1 0.05 0.14 0.5 11.91 0.151C 2 0.13 0.06 0.41 14.5 0.184C 3 0.00 0.07 0.37 3.87 0.049C 4 0.14 0.13 0.16 6.15 0.078F 0.0 0.0 0.0 2.91 0.037

ASVASU-7

REFINED COMPOSITION: |(C4N2)(H2O)2| [Ge20O40]

CRYSTAL DATA: P 4/m cc (No. 124)a = 8.7795 A b = 8.7795 A c = 14.4696 Aα = 90◦ β = 90◦ γ = 90◦

X-ray single crystal refinement, RF = 0.025, wRF2 = 0.053; at -75 C.

REFERENCE: H. Li and O. M. Yaghi,J. Am. Chem. Soc. 120 10569–10570 (1998).

Atom x y z Biso occ

Ge 1 0.0 0.5000 0.2500 0.71 1.0Ge 2 0.2565 0.4239 0.1086 0.71 1.0O 1 0.1043 0.3755 0.1810 0.95 1.0O 20 0.2010 0.3595 0.0 1.11 0.5O 21 0.1764 0.4393 0.0 0.95 0.5O 30 0.3257 0.5936 0.1557 1.18 0.5O 31 0.3793 0.2692 0.1194 0.95 0.5H2O 0.5000 0.5000 0.0 2.53 1.0C 1 0.0 0.0 0.1258 6.63 0.5C 2 -0.0333 0.0537 0.2080 7.42 0.125N -0.0333 0.0537 0.2080 7.42 0.125

Framework oxygen atoms O2 and O3 are statistically disordered between twoalternative sites in the lattice, O20 and O21, and O30 and O31, respectively.

ATN MAPO–39

REFINED COMPOSITION: |C13.16O0.168| [Al7.512P7.504O32]



REFERENCE: W. H. Baur, W. Joswig, D. Kassner, A. Bieniok, G. Fingerand J. Kornatowski, Z. Kristallogr. 214 154–159 (1999).

Atom x y z Biso occ

P 1 0.21631 0.38206 0.0 2.4 0.898P 2 0.1226 0.4167 0.0 1.2 0.04Al 1 0.37846 0.20842 0.0 2.5 0.4495Al3+ 1 0.37846 0.20842 0.0 2.5 0.4495Al 2 0.4104 0.1156 0.0 1.6 0.02Al3+ 2 0.4104 0.1156 0.0 1.6 0.02O− 1 0.31508 0.32477 0.0 4.6 0.959O− 2 0.15488 0.35625 0.2302 6.8 1.008O− 3 0.2418 0.49346 0.0 4.9 0.926O− 31 0.187 0.511 0.0 3.3 0.04O− 32 0.517 0.19 0.0 3.3 0.04O− 41 0.015 0.445 0.0 3.3 0.04C 1 0.5 0.5 0.743 4.3 0.37C 2 0.449 0.522 0.5 45.8 0.82C 3 0.4857 0.513 0.0 23.7 0.259C 4 0.4676 0.0389 0.0 10.5 0.381

The original refinement for the two Al sites used interpolated scattering factorsfor Al+1.5, which we model as an equal mix of Al and Al3+.

ATODi-n-propylamine SAPO–31

REFINED COMPOSITION: |C14.76| [Al17.71P16.67O72]


X-ray single crystal refinement, RwF = 0.018, RF = 0.051

REFERENCE: W. H. Baur, W. Joswig, D. Kassner and J. Kornatowski,Acta Cryst. B50 290–294 (1994).

Atom x y z Biso occ

Al 0.61736 0.08455 0.0381 1.89 0.984P 0.47126 0.08774 0.1138 1.31 0.926O 1 0.55134 0.10711 0.1317 3.0 1.0O 2 0.42390 0.00893 0.0133 3.32 1.0O 3 0.44586 0.09533 0.3880 3.32 1.0O 4 0.46468 0.14061 0.9208 3.32 1.0C 1 0.046 0.013 0.111 15.79 0.46C 2 0.064 0.029 0.388 15.79 0.25C 3 0.0 0.0 0.30 15.79 0.33

ATS MAPO–36, Calcined




REFERENCE: J. V. Smith, J. J. Pluth and K. J. Andries,Zeolites 13 166–169 (1993).

Atom x y z Biso occ

Si 1 0.619 0.041 0.767 0.92 1.0Si 2 0.314 0.174 0.768 0.92 1.0Si 3 0.617 0.243 0.223 0.92 1.0O 1 0.690 0.101 0.773 1.237 1.0O 2 0.500 0.048 0.750 1.237 1.0O 3 0.622 0.212 0.934 1.237 1.0O 4 0.354 0.189 0.069 1.237 1.0O 5 0.500 0.265 0.250 1.237 1.0O 6 0.645 0.001 0.022 1.237 1.0O 7 0.811 0.195 0.748 1.237 1.0

ATTTetramethylammonium hydroxide AlPO–12-TAMU

REFINED COMPOSITION: |(C4NO)4| [Al12P12O48]



REFERENCE: P. R. Rudolf, C. Saldarriaga-Molina and A. Clearfield,J. Phys. Chem. 90 6122–6125 (1986).

Atom x y z Biso occ

Al 1 0.354 0.608 0.387 3.0 1.0Al 2 0.366 0.896 0.383 3.0 1.0Al 3 0.349 0.249 0.139 3.0 1.0P 1 0.339 0.770 0.157 4.8 1.0P 2 0.354 0.112 0.368 4.8 1.0P 3 0.343 0.415 0.369 4.8 1.0O 1 0.338 0.696 0.272 4.3 1.0O 2 0.311 0.864 0.218 4.3 1.0O 3 0.482 0.758 0.086 4.3 1.0O 4 0.249 0.764 0.018 4.3 1.0O 5 0.318 0.137 0.210 4.3 1.0O 6 0.370 0.012 0.381 4.3 1.0O 7 0.485 0.168 0.412 4.3 1.0O 8 0.244 0.143 0.466 4.3 1.0O 9 0.300 0.506 0.317 4.3 1.0O 10 0.337 0.349 0.242 4.3 1.0O 11 0.482 0.412 0.425 4.3 1.0O 12 0.254 0.381 0.488 4.3 1.0C 1 -0.024 0.089 0.196 13.1 1.0C 2 -0.131 -0.017 0.004 13.1 1.0C 3 -0.018 0.587 0.249 13.1 1.0C 4 -0.129 0.482 0.065 13.1 1.0N 1 0.000 0.000 0.100 13.1 1.0N 2 0.000 0.500 0.158 13.1 1.0O 13 0.000 0.000 0.284 13.1 1.0O 14 0.000 0.500 -0.024 13.1 1.0

ATV AlPO–25


CRYSTAL DATA: Acmm (No. 67; cba setting)a = 9.4489 A b = 15.2028 A c = 8.4084 Aα = 90◦ β = 90◦ γ = 90◦

Neutron Rietveld refinement, Rwp = 0.041, RF2 = 0.133; At T = 593 K.

REFERENCE: J. W. Richardson, Jr., J. V. Smith and J. J. Pluth,J. Phys. Chem. 94 3365–3367 (1990).

Atom x y z Biso occ

Al 1 0.3535 0.0982 0.1987 2.63 0.5Al 2 0.1566 0.2500 0.3142 0.92 0.5P 1 0.3535 0.0982 0.1987 2.63 0.5P 2 0.1566 0.2500 0.3142 0.92 0.5O 1 0.3017 0.0000 0.2500 1.95 1.0O 2 0.5000 0.1275 0.2500 2.08 1.0O 3 0.2317 0.1625 0.2497 2.53 1.0O 4 0.3308 0.0971 0.0000 2.95 1.0O 5 0.0000 0.2500 0.2500 1.84 1.0O 6 0.1076 0.2500 0.5000 5.76 1.0

AWOAlPO–21

REFINED COMPOSITION: |N2.84C13.41O4H4| [Al12P12O48]

CRYSTAL DATA: P1 21/a 1 (No. 14; unique axis b, cell choice 3)a = 10.3307 A b = 17.5241 A c = 8.6757 Aα = 90.0◦ β = 123.369◦ γ = 90.0◦


REFERENCE: J. M. Bennett, J. M. Cohen, G. Artioli, J. J. Pluth and J. V. Smith,Inorg. Chem. 24 188–193 (1985).

Atom x y z Biso occ

P 1 0.1335 0.0708 0.9738 0.58 1.0P 2 0.0269 0.2112 0.3235 0.70 1.0P 3 0.4967 0.1646 0.7462 0.65 1.0Al 1 0.3082 0.1714 0.3192 0.76 1.0Al 2 0.3372 0.3892 0.9739 0.61 1.0Al 3 0.2057 0.2037 0.7707 0.63 1.0O 1 0.3375 0.4885 0.0519 0.84 1.0O 2 0.2331 0.0912 0.1807 1.16 1.0O 3 0.421 0.2188 0.258 1.12 1.0O 4 0.0904 0.1947 0.5237 1.29 1.0O 5 0.0484 0.2523 0.7775 0.94 1.0O 6 0.4254 0.1411 0.5439 1.46 1.0O 7 0.4636 0.4153 0.9012 0.85 1.0O 8 0.1819 0.1203 0.8696 1.08 1.0O 9 0.3221 0.2905 0.8647 1.08 1.0O 10 0.3759 0.1525 0.7924 1.01 1.0O 11 0.1316 0.3898 0.8632 0.99 1.0O 12 0.1589 0.2283 0.2955 1.33 1.0O 13 0.4353 0.3575 0.2081 1.12 1.0N 0.2155 0.4898 0.2852 3.06 0.71C 1 0.3305 0.4857 0.4786 12.70 1.425C 2 0.0868 0.4358 0.2039 7.39 1.295C 3 0.177 0.4828 0.362 0.00 0.22C 4 0.125 0.4639 0.477 7.11 0.412H 0.381 0.286 0.854 2.02 1.0

AWW Quinuclidine AlPO–22

REFINED COMPOSITION: |P2O8.48(C7N)4| [Al24P24O96]

CRYSTAL DATA: P 4/n cc (No. 130; origin at centre 1)a = 13.628 A b = 13.628 A c = 15.463 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: J. W. Richardson, Jr., J. J. Pluth and J. V. Smith,Naturwiss. 76 467–469 (1989).And J. J. Pluth, Private communication (1990).

Atom x y z Biso occ

Al 1 0.1360 0.8640 0.2500 0.63 1.0Al 2 0.4660 -0.1419 0.4284 0.843 1.0P 1 0.1354 0.8646 0.7500 0.737 1.0P 2 0.6308 0.0185 0.4214 0.79 1.0O 1 0.2565 -0.1166 0.2738 1.08 1.0O 2 0.4998 -0.2584 0.4317 1.107 1.0O 3 0.4258 -0.1044 0.3241 1.37 1.0O 4 0.5794 -0.0795 0.4309 1.343 1.0O 5 0.1060 -0.0629 0.1620 1.5 1.0O 6 0.599 0.0912 0.4905 2.683 1.0C 1 0.250 0.250 0.739 12.633 1.0C 2 0.282 0.163 0.389 12.633 0.25C 3 0.274 0.339 0.389 12.633 0.25C 5 0.227 0.157 0.302 12.633 0.25C 6 0.219 0.341 0.302 12.633 0.25C 8 0.250 0.250 0.249 12.633 1.0C 9 0.250 0.250 0.298 12.633 1.0N 0.250 0.250 0.4389 12.633 1.0P 3 0.250 0.750 0.000 0.87 0.5O 7 0.164 0.787 0.936 0.71 0.5O 8 0.276 0.0852 0.4213 5.267 0.03

BCTMg-BCTT

REFINED COMPOSITION: |K4.56| [Si5.72Mg2.28O16]

CRYSTAL DATA: I4mm (No. 107)a = 8.957 A b = 8.957 A c = 5.281 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: W. A. Dollase and C. R. Ross II,American Mineralogist 78 627–632 (1993).

Atom x y z Biso occ

Si 0.1805 0.1805 0.0 0.79 0.715Mg 0.1805 0.1805 0.0 0.79 0.285O 1 0.2144 0.0 0.0695 1.58 1.0O 2 0.2889 0.2889 0.1914 1.58 1.0K 1 0.0 0.5 0.2960 2.37 0.64K 2 0.0 0.0 0.4979 2.37 1.0

A collapsed form of this framework with FD = 23.4/1000 A3 is monoclinic CaAl2Si2O8

(Takeuchi et al., Zeit. Krist. 137 380 (1973)). It was found as the mineral svyatoslavite(B. V. Chesnokov, E. V. Lotova, V. S. Pavlyuchenko, L. V. Usova, A. F.Bushmakin and T.P. Nishanbayev, American Mineralogist 76 299–301 (1991)).

*BEA Beta, Polymorph A SiO2 Framework



DLS76 refinement.


Atom x y z

Si 1 0.33694 0.79277 0.05619Si 2 0.33711 0.54031 0.05606Si 3 0.71647 0.79300 0.05872Si 4 0.71656 0.54076 0.05884Si 5 0.95425 0.79364 0.05555Si 6 0.95434 0.54040 0.05556Si 7 0.14278 0.85722 0.12500Si 8 0.52836 0.85702 0.12552Si 9 0.52842 0.47158 0.12500O 10 0.33623 0.66652 0.06515O 11 0.33454 0.81732 -0.00385O 12 0.23433 0.84457 0.08279O 13 0.44268 0.84276 0.08069O 20 0.33456 0.51612 -0.00402O 21 0.23464 0.48822 0.08264O 22 0.44301 0.49038 0.08043O 30 0.71891 0.66690 0.06809O 31 0.83544 0.83902 0.06074O 32 0.64609 0.84874 0.10222O 40 0.83559 0.49490 0.06084O 41 0.64627 0.48518 0.10242O 50 1.00000 0.82149 0.00000O 51 0.95304 0.66702 0.06321O 52 1.02844 0.84708 0.09824O 60 1.00000 0.51256 0.00000O 61 1.02874 0.48708 0.09821

Zeolite beta is an intergrown material and *BEA represents the framework of ahypothetical end member. The P4322 (No. 95) topology can be generated by thecoordinate transformation z → −z.

Beta, Polymorph B SiO2 Framework



DLS76 refinement


Atom x y z

Si 1 0.60607 -0.02206 0.38112Si 2 0.48332 -0.14331 0.37930Si 3 0.79947 -0.21324 0.38677Si 4 0.67495 -0.33750 0.38698Si 5 0.91268 -0.33092 0.38275Si 6 0.79042 -0.45237 0.38137Si 7 0.50000 0.11084 0.25000Si 8 0.69528 -0.08286 0.25183Si 9 0.50000 -0.27723 0.25000O 10 0.53355 -0.08379 0.34288O 11 0.64810 -0.01901 0.50530O 12 0.56790 0.05877 0.33609O 13 0.67468 -0.04420 0.34022O 20 0.52172 -0.14542 0.50343O 21 0.38767 -0.11893 0.33454O 22 0.49034 -0.22518 0.33637O 30 0.73217 -0.27927 0.36034O 31 0.88292 -0.24602 0.38479O 32 0.76334 -0.14756 0.30231O 33 0.81946 -0.18012 0.49966O 40 0.70644 -0.42162 0.38400O 41 0.58064 -0.32929 0.30322O 51 0.83406 -0.38605 0.34599O 52 0.95542 -0.33707 0.30360O 60 0.76924 -0.52075 0.30078

Zeolite beta is an intergrown material. Polymorph B represents theframework of a hypothetical end member of the beta family.

BEC FOS-5

REFINED COMPOSITION: |(C3N)48(H2O)36| [Ge256O512]



REFERENCE: T. Conradsson, M.S. Dadachov and X.D. Zou,Microporous and Mesoporous Materials 41 183–191 (2000).

Atom x y z Biso occ

Ge 1 0.06080 0.56726 0.05003 1.96 1.0Ge 2 0.18313 0.31110 0.20106 1.88 1.0Ge 3 0.06127 0.44742 0.06418 2.05 1.0Ge 4 0.16210 0.41210 0.37500 1.91 1.0Ge 5 0.19686 0.31144 0.31554 1.83 1.0Ge 6 0.15531 0.40669 0.13668 2.07 1.0Ge 7 0.24081 0.44472 0.05716 2.19 1.0Ge 8 0.23811 0.56364 0.05594 2.04 1.0Ge 9 0.14778 0.60222 0.12500 2.26 1.0O 1 0.14210 0.34760 0.16490 2.76 1.0O 2 0.16270 0.31660 0.26330 2.76 1.0O 3 0.09690 0.61140 0.08470 2.45 1.0O 4 0.06590 0.58900 -0.00980 3.32 1.0O 5 0.19400 0.25000 0.34080 2.84 1.0O 6 0.21760 0.41700 0.00220 2.53 1.0O 7 0.08870 0.50680 0.06120 3.55 1.0O 8 0.17240 0.25000 0.17770 3.08 1.0O 9 0.00000 0.44600 0.09020 3.32 1.0O 10 0.16620 0.44850 0.18530 2.61 1.0O 11 0.20300 0.60860 0.09140 2.61 1.0O 12 0.09620 0.41360 0.10910 3.08 1.0O 13 0.24260 0.33790 0.19140 3.47 1.0O 14 0.20720 0.40180 0.09830 2.84 1.0O 15 0.00000 0.57460 0.07410 3.47 1.0O 16 0.17980 0.44460 0.32170 3.00 1.0O 17 0.16840 0.34710 0.36250 2.68 1.0O 18 0.21620 0.50380 0.07760 2.68 1.0N 1 0.24780 0.25000 0.00390 6.63 1.0C 1 0.23600 0.29700 0.03400 1.34 1.0C 2 0.26900 0.25000 -0.04700 2.05 1.0N 2 0.14760 0.25000 0.00900 8.29 1.0C 3 0.17600 0.25000 -0.03700 40.27 1.0C 4 0.16200 0.30200 0.02800 16.58 1.0N 3 0.35190 0.25000 0.00200 9.79 1.0C 5 0.34000 0.30300 0.02400 22.90 1.0C 6 0.36100 0.25000 -0.05000 15.00 1.0H2O 1 0.00000 0.50000 0.00000 2.53 1.0H2O 2 0.25000 0.25000 0.25000 2.61 1.0H2O 3 0.27690 0.50000 0.00000 4.97 1.0H2O 4 0.00000 0.25000 -0.12500 19.74 1.0

BIKBikitaite

REFINED COMPOSITION: |Li1.86(H2O)2| [Si3.89Al2.13O12]Bikita, Zimbabwe


Neutron single crystal refinement, Rw = 0.056

REFERENCE: K. Stahl, A. Kvick and S. Ghose,Zeolites 9 303–311 (1989).

Atom x y z Biso occ

Li 1 0.3095 0.3657 0.1469 1.07 0.91Li 2 0.6995 0.8665 0.8722 1.36 0.947Si 11 0.1057 0.8645 0.0975 0.42 0.957Si 12 0.1038 0.8006 0.5049 0.51 0.981Si 22 0.8920 0.2984 0.4877 0.53 0.981Si 23 0.6187 0.3748 0.0630 0.41 0.975Al 13 0.3803 0.8749 0.9374 0.58 1.061Al 21 0.8985 0.3639 0.9065 0.58 1.066O 11 0.2641 0.7404 0.0569 0.85 1.0O 12 0.0830 0.1853 0.0413 0.97 1.0O 13 0.1584 0.8281 0.3279 1.49 1.0O 14 0.0557 0.4868 0.5173 1.50 1.0O 15 0.2612 0.8920 0.6947 1.34 1.0O 16 0.4496 0.1940 0.0282 0.88 1.0O 21 0.7311 0.2433 0.9552 0.85 1.0O 22 0.9283 0.7021 0.9708 0.98 1.0O 23 0.8414 0.3281 0.6655 1.52 1.0O 24 0.9378 0.9872 0.4657 1.45 1.0O 25 0.7318 0.3929 0.2966 1.29 1.0O 26 0.5593 0.6797 0.9807 0.85 1.0H 11 0.3230 0.2849 0.4786 5.96 1.0H 12 0.4870 0.1784 0.4863 5.21 1.0H 21 0.6853 0.7872 0.5420 6.35 1.0H 22 0.5214 0.6763 0.5343 5.28 1.0O 17 0.4083 0.3224 0.4347 2.35 1.0O 27 0.5991 0.8225 0.5871 2.35 1.0

BOG Boggsite

REFINED COMPOSITION: |(H2O)137.04| [Si77.76Al18.24O192]Goble area, Oregon, U.S.A.



REFERENCE: J. J. Pluth and J. V. Smith,American Mineralogist 75 501–507 (1990).

Atom x y z Biso occ

Si 1 0.18881 0.18550 0.67190 1.38 0.81Si 2 0.19006 0.02407 0.32970 1.54 0.81Si 3 0.07689 0.18517 0.83570 1.29 0.81Si 4 0.07768 0.022100 0.164300 .41 0.81Si 5 0.22108 0.083000 0.537800 .35 0.81Si 6 0.12270 0.083710 0.965600 .35 0.81Al 1 0.18881 0.18550 0.67190 1.38 0.19Al 2 0.19006 0.02407 0.32970 1.54 0.19Al 3 0.07689 0.18517 0.83570 1.29 0.19Al 4 0.07768 0.02210 0.16430 1.41 0.19Al 5 0.22108 0.08300 0.53780 1.35 0.19Al 6 0.12270 0.08371 0.96560 1.35 0.19O 1 0.18820 0.250000 0.629100 .37 1.0O 2 0.11940 0.170700 0.732200 .67 1.0O 3 0.195000 0.145600 0.567900 .76 1.0O 4 0.190000 0.070200 0.423600 .85 1.0O 5 0.119400 0.031900 0.272200 .85 1.0O 6 0.089300 0.250000 0.873100 .22 1.0O 7 0.000000 0.173800 0.804300 .46 1.0O 8 0.000000 0.026300 0.196800 .15 1.0O 9 0.194400 0.037900 0.620400 .26 1.0O 10 0.097800 0.146400 0.932700 .09 1.0O 11 0.095900 0.072500 0.081300 .48 1.0O 12 0.200700 0.080000 0.968200 .61 1.0O 13 0.094900 0.039500 0.884700 .63 1.0O 14 0.250000 0.175500 0.750000 .15 1.0O 15 0.250000 -0.037500 0.750000 .39 1.0H2O 1 0.000000 0.173500 0.136000 5.26 1.85H2O 2 0.193600 0.170100 0.203000 7.89 1.35H2O 3 0.193000 0.250000 0.057000 9.74 0.92H2O 4 0.107400 0.175400 0.372000 3.96 1.16H2O 5 0.000000 0.175000 0.570000 13.7 3.2H2O 6 0.000000 0.028400 0.429000 6.07 0.91H2O 7 0.056200 0.114700 0.410000 9.74 0.63H2O 8 0.043100 0.081200 0.626000 1.33 0.77H2O 9 0.149000 0.250000 0.237000 4.22 0.5H2O 10 0.106000 0.250000 0.086000 5.0 0.61H2O 11 0.206000 0.250000 0.401000 4.74 1.32

BPHBeryllophosphate-H

REFINED COMPOSITION: |Na8.36K5.49(H2O)30.48| [Be14P14O56]



REFERENCE: G. Harvey, Ch. Baerlocher and T. Wroblewski,Z. Kristallogr. 201 113–123 (1992).

Atom x y z Biso occ

Na 1 0.3333 0.6667 0.502 1.02 1.0Na 2 0.184 0.164 0.317 14.28 1.06K 1 0.6260 0.0000 0.5000 1.02 1.0K 2 0.5230 0.0000 0.0000 13.59 0.83Be 1 0.6667 0.3333 0.1311 0.09 1.0Be 2 0.3576 0.4981 0.2681 3.09 1.0Be 3 0.6996 0.5607 0.3819 0.33 1.0P 1 0.3333 0.6667 0.1199 0.08 1.0P 2 0.4907 0.3534 0.2699 1.74 1.0P 3 0.5609 0.6992 0.3793 1.11 1.0O 1 0.5696 0.3736 0.1701 3.24 1.0O 2 0.3333 0.6667 -0.0013 2.46 1.0O 3 0.4332 0.5920 0.3659 0.09 1.0O 4 0.4078 0.4054 0.2520 0.09 1.0O 5 0.5869 0.8005 0.2973 3.72 1.0O 6 0.4231 0.7992 0.1584 0.96 1.0O 7 0.4102 0.2168 0.2954 0.09 1.0O 8 0.5842 0.4242 0.3611 1.74 1.0O 9 0.6548 0.6592 0.3646 2.85 1.0O 10 0.5705 0.7509 0.4945 1.65 1.0H2O 1 0.406 0.282 -0.002 7.41 1.25H2O 2 0.079 -0.070 0.160 18.54 0.83H2O 3 0.045 0.237 -0.116 12.0 1.06H2O 4 0.044 0.168 0.515 9.09 1.02H2O 5 0.647 0.622 0.129 10.65 0.92

BRE Brewsterite

REFINED COMPOSITION: |Ba0.52Sr1.48(H2O)10| [Si12Al4O32]Strontian, Argyll, Scotland



REFERENCE: J. L. Schlenker, J. J. Pluth and J. V. Smith,Acta Cryst. B33 2907–2910 (1977).

Atom x y z Biso occ

Ba 0.2501 0.2500 0.1780 1.19 0.26Sr 0.2501 0.2500 0.1780 1.19 0.74Si 1 0.3218 0.0812 0.8224 1.1 0.75Si 2 0.4054 0.0566 0.2108 1.2 0.75Si 3 0.5553 0.1582 0.5336 1.09 0.75Si 4 0.9087 0.0528 0.6410 1.01 0.75Al 1 0.3218 0.0812 0.8224 1.1 0.25Al 2 0.4054 0.0566 0.2108 1.2 0.25Al 3 0.5553 0.1582 0.5336 1.09 0.25Al 4 0.9087 0.0528 0.6410 1.01 0.25O 1 0.3501 0.1059 0.0283 1.78 1.0O 2 0.4218 0.1240 0.3607 2.32 1.0O 3 0.7825 0.1211 0.5454 1.93 1.0O 4 0.4500 0.1408 0.7150 1.99 1.0O 5 0.0850 0.0920 0.7615 2.33 1.0O 6 0.2228 0.9966 0.2388 2.76 1.0O 7 0.3851 0.9921 0.7952 1.83 1.0O 8 0.0000 0.0000 0.5000 3.19 1.0O 9 0.5718 0.2500 0.4994 2.81 1.0H2O 1 0.0598 0.2500 0.4699 4.14 1.0H2O 2 0.9286 0.1474 0.1518 5.6 1.0H2O 3 0.5996 0.2500 0.0241 4.39 1.0H2O 4 0.0665 0.2500 0.8660 4.25 1.0

CANCancrinite

REFINED COMPOSITION: |Na8(CO3)1.2(H2O)2| [Si6Al6O24]Synthetic crystal.



REFERENCE: Y. I. Smolin, Y. F. Shepelev, I. K. Butikova and I. B. Kobyakov,Kristallografiya 26 63–66 (1981).

Atom x y z Biso occ

Na 1 0.6667 0.3333 0.1354 1.86 1.0Na 2 0.1254 0.2521 0.2943 1.21 1.0Si 0.3300 0.4115 0.7500 0.32 1.0Al 0.0772 0.4221 0.75 0.27 1.0O 1 0.2019 0.4035 0.6586 0.56 1.0O 2 0.1157 0.5619 0.7248 0.74 1.0O 3 0.0329 0.3526 0.0588 0.69 1.0O 4 0.3161 0.3582 0.0486 0.72 1.0C 0.0 0.0 0.173 3.27 0.595O 5 0.1179 0.0603 0.173 1.57 0.6H2O 0.378 0.701 0.179 5.28 0.333

CAN Tiptopite

REFINED COMPOSITION: |Li2.9Na1.7K2Ca0.7O6| [Be6P6O24]Tip Top Mine, Custer, S. Dakota, U.S.A.



REFERENCE: D. R. Peacor, R. C. Rouse and J. H. Ahn,American Mineralogist 72 816–820 (1987).

Atom x y z Biso occ

Li 0.2207 0.1137 0.7486 2.32 0.483Na 0.2207 0.1137 0.7486 2.32 0.283K 0.3333 0.6667 0.253 2.04 1.0Ca 0.2207 0.1137 0.7486 2.32 0.1167Be 0.338 0.418 0.746 0.63 1.0P 0.0851 0.4167 0.7500 0.5 1.0O 1 0.1902 0.3843 0.6518 0.97 1.0O 2 0.1378 0.5647 0.7027 0.75 1.0O 3 0.0547 0.3801 0.0688 0.95 1.0O 4 0.3302 0.3747 0.0862 0.65 1.0O 5 0.0000 0.0000 0.253 2.67 1.0O 6 0.064 0.130 0.378 1.58 0.25O 7 0.066 0.130 0.097 1.58 0.25O 8 0.168 0.322 0.236 1.58 0.17

O5 represents a hydroxyl (OH) in the channel.O6, O7 and 08 are non-framework oxygen atoms.

CASCs-Aluminosilicate

REFINED COMPOSITION: |Cs3.26| [Si24O48]

CRYSTAL DATA: Ama2 (No. 40)a = 16.776 A b = 13.828 A c = 5.021 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: T. Araki,Z. Kristallogr. 152 207–213 (1980).

Atom x y z Biso occ

Cs 0.2500 0.20406 0.00000 4.665 0.814Si 1 0.05281 0.74134 0.04651 1.469 1.0Si 2 0.15709 0.42622 0.41971 1.404 1.0Si 3 0.08952 0.02677 0.40524 1.444 1.0O 1 0.00000 0.00000 0.31644 2.851 1.0O 2 0.25000 0.41029 0.35466 4.888 1.0O 3 0.12235 0.32339 0.51936 3.97 1.0O 4 0.09931 0.14024 0.48097 3.014 1.0O 5 0.02323 0.73969 0.35550 2.718 1.0O 6 0.11123 0.45939 0.15344 4.334 1.0O 7 0.14838 0.00661 0.15333 2.614 1.0

Coordinates converted from Bbm2 (bac) setting.

CDO CDS-1




REFERENCE: T. Ikeda, Y. Akiyama, Y. Oumi, A. Kawai and F. Mizukami,Angew. Chem., Int. Ed. 43 4892-4896 (2004).

Atom x y z Biso occ

Si 1 0.239 0.25 0.221 0.029 1.0Si 2 0.322 0.545 0.214 0.029 1.0Si 3 0.4189 0.4647 0.5 0.029 1.0Si 4 0.3598 0.25 0.5 0.029 1.0Si 5 0.267 0.75 0.3 0.029 1.0Si 6 0.319 0.549 0.801 0.029 1.0O 1 0.312 0.25 0.326 0.046 1.0O 2 0.25 0.5 0.231 0.046 1.0O 3 0.4135 0.3473 0.5 0.046 1.0O 4 0.308 0.654 -0.233 0.046 1.0O 5 0.5 0.5 0.5 0.046 1.0O 6 0.382 0.501 0.323 0.046 1.0O 7 0.88 0.51 0.822 0.046 1.0O 8 0.196 0.75 0.176 0.046 1.0O 9 0.2425 0.75 0.5 0.046 1.0O 10 0.318 0.847 0.264 0.046 1.0O 11 0.3424 0.53 0.0 0.046 1.0

CDOMCM-65, calcined




REFERENCE: D. L. Dorset and G. L. Kennedy,J. Phys. Chem. B 108 15216–15222 (2004).

Atom x y z Biso occ

Si 1 0.21108 0.23554 0.25000 1.97 1.0Si 2 0.29158 0.17568 0.05342 1.97 1.0Si 3 0.00000 0.08070 0.53927 1.97 1.0Si 4 0.00000 0.13565 0.75000 1.97 1.0O 1 0.19569 0.18057 0.15834 1.97 1.0O 2 0.00000 0.26616 0.25000 1.97 1.0O 3 0.32979 0.30844 0.25000 1.97 1.0O 4 0.19021 0.11060 -0.00107 1.97 1.0O 5 0.50000 0.14984 0.05586 1.97 1.0O 6 0.25000 0.25000 0.00000 1.97 1.0O 7 0.00000 0.08096 0.65751 1.97 1.0O 8 0.50000 0.50000 0.50000 1.97 1.0

CDO UZM-25, calcined




REFERENCE: L. M. Knight and G. J. Lewis,Private communication (2004).

Atom x y z Biso occ

Si 1 0.2054 0.1776 0.4503 0.79 1.0Si 2 0.0 0.4204 0.4613 0.79 1.0Si 3 0.2921 0.2382 0.25 0.79 1.0Si 4 0.0 0.3631 0.25 0.79 1.0O 1 0.0 0.1571 0.467 0.79 1.0O 2 0.2456 0.1865 0.3393 0.79 1.0O 3 0.3249 0.117 0.4971 0.79 1.0O 4 0.0 0.5 0.5 0.79 1.0O 5 0.1731 0.3123 0.25 0.79 1.0O 6 0.5 0.2599 0.25 0.79 1.0O 7 0.0 0.4151 0.3447 0.79 1.0O 8 0.25 0.25 0.5 0.79 1.0

CFICIT-5


CRYSTAL DATA: Imma (No. 74)a = 13.695 A b = 5.021 A c = 25.497 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: P. Wagner, M. Yoshikawa, M. Lavallo, K. Tsuji, M. Tsapatsis andM. E. Davis, J. Chem. Soc., Chem. Commun. 2179–2180 (1997).

Atom x y z Biso occ

Si 1 0.1160 0.2500 0.0317 3.32 1.0Si 2 0.0000 0.7500 0.2788 6.47 1.0Si 3 0.2820 0.7500 0.1887 3.95 1.0Si 4 0.0000 0.2500 0.2177 1.58 1.0Si 5 0.1936 0.2500 0.1479 3.24 1.0O 1 0.0000 0.2500 0.0512 3.87 1.0O 2 0.0853 0.2500 0.1737 1.18 1.0O 3 0.0000 0.5776 0.2309 8.69 1.0O 4 0.1303 0.0000 0.0000 42.56 1.0O 5 0.1896 0.2500 0.0909 4.74 1.0O 6 0.2500 0.7500 0.2500 6.79 1.0O 7 0.0913 0.7500 0.3099 3.71 1.0O 8 0.2640 0.4474 0.1665 5.53 1.0

CGF Cobalt Gallium Phosphate-5




REFERENCE: A. M. Chippindale and A. R. Cowley,Zeolites 18 176–181 (1997).

Atom x y z Biso occ

Ga 1 0.75 0.29158 0.5 1.47 0.5556Co 1 0.75 0.29158 0.5 1.47 0.4444Ga 2 0.32984 0.16923 0.18415 1.63 0.5556Co 2 0.32984 0.16923 0.18415 1.63 0.4444Ga 3 0.42202 0.24028 0.41491 1.45 0.5556Co 3 0.42202 0.24028 0.41491 1.45 0.4444Ga 4 0.63514 0.18555 0.24494 1.63 0.5556Co 4 0.63514 0.18555 0.24494 1.63 0.4444Ga 5 0.52517 0.40972 0.18697 2.16 0.5556Co 5 0.52517 0.40972 0.18697 2.16 0.4444P 6 0.3610 0.3363 0.2520 1.71 1.0P 7 0.5774 0.2711 0.0693 1.47 1.0P 8 0.6822 0.3463 0.3219 2.04 1.0P 9 0.4756 0.0936 0.3070 1.55 1.0P 10 0.25 0.2890 0.5 1.98 1.0O 1 0.8277 0.2249 0.4553 3.05 1.0O 2 0.7114 0.3640 0.4163 2.79 1.0O 3 0.4202 0.0985 0.2176 2.56 1.0O 4 0.2386 0.1480 0.2461 3.96 1.0O 5 0.3731 0.2661 0.1994 3.44 1.0O 6 0.2983 0.1586 0.0673 2.83 1.0O 7 0.4106 0.3250 0.3414 2.87 1.0O 8 0.4355 0.1478 0.3661 2.98 1.0O 9 0.5182 0.2648 0.4944 3.17 1.0O 10 0.3135 0.2365 0.4613 3.71 1.0O 11 0.5739 0.2161 0.1438 3.06 1.0O 12 0.5731 0.1122 0.2980 3.34 1.0O 13 0.6558 0.2632 0.3183 4.52 1.0O 14 0.7439 0.1405 0.2334 4.74 1.0O 15 0.6056 0.3974 0.2906 3.55 1.0O 16 0.4009 0.4030 0.2099 2.23 1.0O 17 0.5493 0.3499 0.0891 2.68 1.0O 18 0.5272 0.5173 0.1552 2.59 1.0N 1 0.8049 0.5046 0.0671 2.65 1.0N 2 0.987 0.0584 0.0420 6.21 1.0C 1 0.854 0.512 -0.009 4.69 0.5C 2 0.740 0.569 0.066 4.23 0.5C 3 0.753 0.4328 0.060 4.38 0.5C 4 0.7130 0.519 0.088 5.0 0.5C 6 0.807 0.4306 0.024 5.02 0.5

continued . . .

CGFCobalt Gallium Phosphate-5


Atom x y z Biso occ

C 5 0.831 0.564 0.010 5.01 0.5C 7 0.993 0.074 -0.049 7.1 0.5C 8 0.917 -0.001 0.049 4.87 0.5C 9 1.075 0.027 0.081 13.81 0.5C 10 1.018 -0.004 0.102 6.3 0.5C 11 1.059 0.075 -0.011 5.74 0.5C 12 0.907 0.031 -0.016 16.12 0.5

CGS Cobalt Gallium Phosphate-6



X-ray single crystal refinement. R = 0.0310, Rw = 0.0365

REFERENCE: A. R. Cowley and A. M. Chippindale,Microporous and Mesoporous Materials 28 163–172 (1999).

Atom x y z Biso occ

Ga 1 0.1365 0.0342 0.5716 1.0028 0.53Ga 2 0.04238 0.2716 0.6324 1.1765 0.87Ga 3 0.47446 -0.1263 0.5896 1.0659 0.88Ga 4 0.36576 0.1616 0.8134 1.1133 0.72Co 1 0.1365 0.0342 0.5716 1.0028 0.47Co 2 0.04238 0.2716 0.6324 1.1765 0.13Co 3 0.47446 -0.1263 0.5896 1.0659 0.12Co 4 0.36576 0.1616 0.8134 1.1133 0.28P 5 0.14798 0.1518 0.8485 1.3028 1.0P 6 0.35984 0.0307 0.5527 0.9949 1.0P 7 0.47275 0.2188 1.1099 0.9712 1.0P 8 -0.02864 0.1324 0.4143 1.0106 1.0O 1 0.4479 0.1630 0.9765 1.7134 1.0O 2 0.464 -0.1709 0.7813 1.7528 1.0O 3 -0.0339 0.1972 0.5409 2.3687 1.0O 4 0.3701 -0.0628 0.5607 1.8634 1.0O 5 -0.0364 0.1735 0.2574 2.2582 1.0O 6 0.2498 0.1493 0.8965 2.8109 1.0O 7 0.1352 0.2251 0.7428 2.7714 1.0O 8 0.0883 0.1587 0.9916 2.9135 1.0O 9 0.1184 0.0727 0.7705 2.5345 1.0O 10 0.3842 0.253 0.6913 1.8239 1.0O 11 0.4197 0.0638 0.4221 1.7134 1.0O 12 0.0625 0.0856 0.4233 1.9187 1.0O 13 0.2599 0.0521 0.5152 2.1792 1.0O 14 0.392 0.0664 0.7056 2.0292 1.0O 15 0.4704 -0.2072 0.4434 1.5554 1.0O 16 0.1137 -0.0781 0.5674 1.8397 1.0N 1 0.2511 0.9653 0.013 6.1665 0.483N 2 0.2528 0.9332 0.236 8.1562 0.517C 1 0.177 0.963 0.119 12.2067 0.483C 2 0.167 0.882 0.189 11.9935 0.483C 3 0.2399 0.9008 -0.099 4.3584 0.483C 4 0.2491 0.8189 -0.028 4.6663 0.483C 5 0.338 0.952 0.087 9.538 0.483C 6 0.337 0.881 0.181 9.4038 0.483C 7 0.254 0.8269 0.148 6.9245 0.483C 8 0.254 0.8471 0.2510 7.6114 0.517C 9 0.256 0.8053 0.0970 7.9588 0.517C 10 0.3236 0.9609 0.1360 6.7666 0.517

continued . . .

CGSCobalt Gallium Phosphate-6


Atom x y z Biso occ

C 11 0.3053 0.9362 -0.0230 5.7165 0.517C 12 0.1654 0.9564 0.1760 5.4717 0.517C 13 0.139 0.9113 0.0390 4.1689 0.517C 14 0.225 0.8699 -0.0280 5.3928 0.517

CHA Chabazite, K-exchanged

REFINED COMPOSITION: |K4.16(H2O)7.23| [Si8.16Al3.84O24]North East Azerbaijan, Iran



REFERENCE: M. Calligaris, G. Nardin and L. Randaccio,Zeolites 3 205–208 (1983).

Atom x y z Biso occ

K 1 0.2222 0.2222 0.2222 2.075 0.97K 2 0.5611 0.5611 0.2506 9.017 0.15K 3 0.5255 0.5255 0.1064 9.960 0.22Si 0.1033 0.3331 0.8743 0.890 0.68Al 0.1033 0.3331 0.8743 0.890 0.32O 1 0.2665 -0.2665 0.0 2.375 1.0O 2 0.1506 -0.1506 0.5 2.076 1.0O 3 0.2503 0.2503 0.8930 2.216 1.0O 4 0.0204 0.0204 0.3193 12.63 1.0H2O 1 0.0 0.50 0.50 8.133 0.61H2O 2 0.7387 0.7387 0.4784 12.63 0.77H2O 3 0.4469 0.4469 0.2260 4.257 0.13

H2O is here assumed to have the same scattering factor as oxygen (O2−).

CHAMethylbutylamine SAPO–47

REFINED COMPOSITION: |(C5N)2.06| [Al5.47P5.37O24]

CRYSTAL DATA: R3 (No. 148; rhombohedral setting)a = 9.3834 A b = 9.3834 A c = 9.3834 Aα = 94.085◦ β = 94.085◦ γ = 94.085◦


REFERENCE: J. J. Pluth and J. V. Smith,J. Phys. Chem. 93 6516–6520 (1989).

Atom x y z Biso occ

Al 0.09888 0.33196 0.87510 1.2 0.912P 0.33245 0.10847 0.87466 1.176 0.895O 1 0.2580 -0.2704 -0.0127 2.763 1.0O 2 0.1519 -0.1445 0.4911 2.424 1.0O 3 0.2542 0.2460 0.8876 2.779 1.0O 4 0.0291 0.0104 0.3178 3.008 1.0C 1 -0.132 0.524 0.500 17.92 0.344C 2 0.112 0.492 0.440 31.9 0.344C 3 0.189 0.353 0.424 31.9 0.344C 4 0.334 0.382 0.359 31.9 0.344C 5 0.449 0.303 0.439 31.9 0.344N 0.009 0.480 0.551 17.92 0.344

-CHI Chiavennite

REFINED COMPOSITION: |Ca4Mn4(H2O)8| [Si20(BeOH)8O52]Val di San Giacomo, Chiavenna, Italy

CRYSTAL DATA: Pnab (No. 60; cba setting)a = 8.729 A b = 31.326 A c = 4.903 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: V. Tazzoli, M. C. Domeneghetti, F. Mazzi and E. CannilloEur. J. Mineral. 7 1339–1344 (1995).

Atom x y z Biso occ

Ca 0.25000 0.08789 0.00000 1.45 1.0Mn 0.00000 0.00000 0.00000 1.20 1.0Si 1 0.25000 0.00131 0.50000 0.98 1.0Si 2 0.58376 0.23216 0.10475 1.46 1.0Si 3 0.14247 -0.13511 0.24360 1.53 1.0Be -0.00037 0.05722 -0.42986 0.69 1.0O 1 0.13917 -0.02785 0.31336 1.22 1.0O 2 0.15170 0.03243 -0.29572 1.21 1.0O 3 0.04143 0.23906 0.13475 3.23 1.0O 4 0.25000 -0.24779 0.00000 2.25 1.0O 5 0.25000 -0.11875 0.00000 6.10 1.0O 6 0.25000 -0.13872 0.50000 0.28 1.0O 7 0.07997 -0.18239 0.17734 2.70 1.0O 8 0.00055 -0.10438 0.27050 1.63 1.0OH 0.01254 0.05814 0.24296 1.63 1.0H2O 0.15815 0.14739 0.26022 2.93 1.0

The OH provide the terminal oxygens, where the framework is not fully connected.

-CLOCloverite

REFINED COMPOSITION: |F192| [Ga768P768O3168]



REFERENCE: M. Estermann, L. B. McCusker, Ch. Baerlocher, A. Merrouche andH. Kessler, Nature 352 320–322 (1991).

Atom x y z Biso occ

Ga 1 0.1341 0.3275 0.2780 1.098 1.0Ga 2 0.0370 0.3507 0.3134 1.382 1.0Ga 3 0.0958 0.3654 0.2236 1.105 1.0Ga 4 0.0 0.3242 0.2140 1.184 1.0Ga 5 0.0 0.3415 0.3801 2.487 1.0P 1 0.0888 0.3656 0.2818 1.358 1.0P 2 0.0 0.3226 0.2769 0.742 1.0P 3 0.0 0.3876 0.3414 1.153 1.0P 4 0.1336 0.3210 0.2180 0.616 1.0P 5 0.0446 0.3097 0.3556 0.955 1.0O 1 0.0800 0.3669 0.2542 2.771 1.0O 2 0.1059 0.3885 0.2891 1.413 1.0O 3 0.1036 0.3404 0.2866 2.448 1.0O 4 0.0657 0.3679 0.2999 1.587 1.0O 5 0.1360 0.3124 0.2458 3.995 1.0O 6 0.1339 0.2970 0.2951 1.437 1.0O 7 0.1631 0.3439 0.2914 4.572 1.0O 8 0.0237 0.3376 0.2830 3.427 1.0O 9 0.0 0.3158 0.2475 1.2 1.0O 10 0.0 0.2979 0.2916 2.045 1.0O 11 0.0521 0.3286 0.3360 4.24 1.0O 12 0.0242 0.3795 0.3277 3.948 1.0O 13 0.0 0.3738 0.3670 3.119 1.0O 14 0.1091 0.3344 0.2142 3.206 1.0O 15 0.0675 0.3692 0.2010 2.258 1.0O 16 -0.0289 0.3436 0.2115 2.795 1.0O 17 0.0283 0.3231 0.3764 3.119 1.0O 18 0.0 0.4161 0.3461 1.169 1.0O 19 0.0 0.3461 0.4150 5.993 1.0F 1 0.1335 0.3664 0.25 1.729 1.0F 2 0.0 0.3325 0.3297 2.037 1.0

O18 and O19 are terminal oxygens, where the framework is not fully connected.

CON CIT-1




REFERENCE: R. F. Lobo and M. E. Davis,J. Am. Chem. Soc. 117 3766–3779 (1994).

Atom x y z Biso occ

Si 1 0.0677 0.1102 0.4914 1.48 1.0Si 2 0.1567 0.1889 0.2510 1.48 1.0Si 3 0.0734 0.1204 0.7390 1.48 1.0Si 4 0.2879 0.1171 0.1026 1.48 1.0Si 5 0.2770 0.1141 0.8607 1.48 1.0Si 6 0.0738 0.1195 0.1043 1.48 1.0Si 7 0.1480 0.1898 0.8835 1.48 1.0O 8 0.0763 0.0000 0.4256 1.42 1.0O 9 0.0784 0.1380 0.6085 1.42 1.0O 1 0.1205 0.1669 0.3814 1.42 1.0O 2 0.0000 0.1458 0.5000 1.42 1.0O 3 0.2185 0.1200 0.2009 1.42 1.0O 4 0.1097 0.1569 0.1860 1.42 1.0O 5 0.1728 0.3005 0.2109 1.42 1.0O 6 0.0852 0.0000 0.7309 1.42 1.0O 7 0.0003 0.1379 0.8223 1.42 1.0O 8 0.1271 0.1859 0.7717 1.42 1.0O 9 0.3045 0.0000 0.1272 1.42 1.0O 10 0.2721 0.1330 0.9904 1.42 1.0O 11 0.3442 0.1888 0.0983 1.42 1.0O 12 0.2102 0.1217 0.8382 1.42 1.0O 13 0.3046 0.0000 0.8219 1.42 1.0O 14 0.0873 0.0000 0.1087 1.42 1.0O 15 0.0837 0.1783 0.9900 1.42 1.0

SSZ-33/SSZ-26 family, Polymorph B SiO2 framework.

SSZ-26/SSZ-33 family, Polymorph A SiO2 framework


CRYSTAL DATA: Pmna (No. 53)a = 13.26 A b = 12.33 A c = 21.08 Aα = 90◦ β = 90◦ γ = 90◦

REFERENCE: R. F. Lobo, M. Pan, I. Chan, H-X. Li, R. C. Medrud, S. I. Zones, P. A. Crozierand M. E. Davis, Science 262 1543–1546 (1993).

Atom x y z

Si 1 0.111 0.208 0.074Si 2 0.114 0.158 0.927Si 3 0.211 0.030 0.150Si 4 0.113 0.463 0.072Si 5 0.198 0.359 0.849Si 6 0.112 0.960 0.271Si 7 0.116 0.711 0.278O 1 0.192 0.148 0.117O 2 0.123 0.168 0.002O 3 0.129 0.336 0.078O 4 0.000 0.180 0.099O 5 0.150 0.269 0.895O 6 0.184 0.061 0.903O 7 0.000 0.135 0.908O 8 0.311 0.017 0.181O 9 0.117 0.018 0.204O 10 0.000 0.494 0.091O 11 0.134 0.500 0.000O 12 0.190 0.525 0.118O 13 0.314 0.330 0.836O 14 0.137 0.361 0.783O 15 0.000 0.969 0.299O 16 0.141 0.835 0.263O 17 0.000 0.700 0.298

SSZ-33/SSZ-26 represents a family of intergrown materials. The polymorph Aframework is a hypothetical end member of the family.






Atom x y z Biso occ

Zn 1 0.8414 0.6827 0.25 1.44 1.0Zn 2 0.5071 0.4929 0.41667 1.56 1.0P 0.8324 0.5912 0.4409 1.6 1.0O 1 0.805 0.5403 0.3439 1.82 1.0O 2 1.0485 0.8019 0.2185 2.01 1.0O 3 0.689 0.571 0.4808 2.59 1.0O 4 0.873 0.489 0.4910 2.46 1.0Na 1 0.668 0.336 0.25 2.92 0.53Na 2 0.602 0.336 0.235 2.92 0.24O 5 0.07 0.033 0.08333 2.92 0.10O 6 0.410 0.302 0.161 2.92 0.29O 7 0.076 0.0 0.0 2.92 0.24O 8 0.425 0.247 0.117 2.92 0.30

CZPChiral Sodium Zincophosphate, P6522





Atom x y z Biso occ

Zn 1 0.84243 0.68486 0.75 1.8 1.0Zn 2 0.49697 0.99393 0.75 2.46 1.0P 0.17041 0.40605 0.06011 1.74 1.0O 1 0.1976 0.4597 0.1566 2.68 1.0O 2 0.0519 0.2464 0.0547 2.61 1.0O 3 0.3130 0.4229 0.0201 2.37 1.0O 4 0.1292 0.5030 0.0075 2.84 1.0Na 0.6713 0.3425 0.75 8.76 0.34O 5 0.5908 0.7113 0.3441 7.26 0.34

DAC Dachiardite

REFINED COMPOSITION: |K0.62Ca2.76(H2O)12| [Si19.2Al4.8O48]Elba, Italy



REFERENCE: G. Vezzalini,Z. Kristallogr. 166 63–71 (1984).

Atom x y z Biso occ

K 0.4544 0.0 0.4626 10.3 0.156Ca -0.0091 0.2598 0.1297 7.8 0.345Si 11 0.2905 0.2084 0.1496 1.2 0.4Si 12 0.2846 0.2053 0.1660 1.1 0.4Si 21 0.1914 0.2901 0.3371 1.3 0.4Si 22 0.1929 0.2978 0.3714 1.0 0.4Si 3 0.0964 0.0 0.7007 1.1 0.8Si 4 0.0816 0.0 0.3793 1.2 0.8Al 11 0.2905 0.2084 0.1496 1.2 0.1Al 12 0.2846 0.2053 0.1660 1.1 0.1Al 21 0.1914 0.2901 0.3371 1.3 0.1Al 22 0.1929 0.2978 0.3714 1.0 0.1Al 3 0.0964 0.0 0.7007 1.1 0.2Al 4 0.0816 0.0 0.3793 1.2 0.2O 1 0.3636 0.3239 0.2168 3.3 1.0O 2 0.1162 0.1770 0.3265 3.1 1.0O 31 0.2188 0.2642 0.2070 2.4 0.5O 32 0.2382 0.2370 0.2652 4.3 0.5O 4 0.1002 0.0 0.5457 4.3 1.0O 5 0.1688 0.5000 0.3487 4.0 1.0O 6 0.3098 0.0 0.1759 3.5 1.0O 7 0.2335 0.2452 0.0131 3.2 0.5O 8 0.2427 0.2777 0.5249 2.9 0.5O 9 0.0103 0.0 0.7080 1.9 1.0H2O 1 -0.0084 0.5 0.2668 5.4 1.0H2O 2 0.0884 0.0 0.0330 6.7 0.5H2O 3 0.0694 0.1037 0.0261 7.5 0.25H2O 4 0.0724 0.3931 0.0258 6.5 0.25H2O 5 0.0860 0.5000 0.0310 6.0 0.5

DDRN2, 1-aminoadamantane Deca-Dodecasil 3R

REFINED COMPOSITION: |C69N6| [Si120O240]




Atom x y z Biso occ

Si 1 0.7267 0.0511 0.0700 0.76 1.0Si 2 0.1264 0.2527 0.1095 0.76 1.0Si 3 0.2020 0.4039 0.1711 0.2 1.0Si 4 0.1227 0.2454 0.2325 0.6 1.0Si 5 0.2256 0.0000 0.0000 0.82 1.0Si 6 0.0000 0.0000 0.2039 1.53 1.0Si 7 0.0000 0.0000 0.1280 0.87 1.0O 1 0.3576 0.3881 0.6358 2.37 1.0O 2 0.2792 0.3749 0.5768 1.45 1.0O 3 0.4067 0.2954 0.5889 1.96 1.0O 4 0.2277 0.4554 0.6589 3.76 1.0O 5 0.1767 0.3534 0.7447 2.24 1.0O 6 0.3233 0.1616 0.5391 3.01 1.0O 7 0.5401 0.2700 0.5494 3.7 1.0O 8 0.2713 0.5426 0.5529 2.49 1.0O 9 0.1780 0.3561 0.5230 3.33 1.0O 10 0.1870 0.0000 0.5000 1.65 1.0O 11 0.0000 0.0000 0.1661 4.47 1.0C 512 0.5000 0.0000 0.5000 15.112 1.0N 1 0.0000 0.0000 0.4455 40.908 0.9C 1 0.0000 0.0000 0.4095 37.228 0.9C 2 0.0596 0.1192 0.3954 14.915 0.9C 3 0.0596 0.1192 0.3577 28.274 0.9C 4 0.1192 0.0596 0.3438 14.654 0.9N 11 0.0000 0.0000 0.2815 15.728 0.1C 11 0.0000 0.0000 0.3175 23.237 0.1C 21 0.0596 0.1192 0.3317 8.598 0.1C 31 0.0596 0.1192 0.3694 4.461 0.1C 41 0.1192 0.0596 0.3833 15.404 0.1

DFO Decamethonium DAF-1




REFERENCE: P. A. Wright, R. H. Jones, S. Natarajan, R. G. Bell, J. Chen,M. B. Hursthouse and J. M. Thomas,J. Chem. Soc., Chem. Comm. 633–635 (1993).

Atom x y z Biso occ

Si 1 0.0803 0.3024 0.50000 1.87 1.0Si 2 0.1471 0.4356 0.1836 1.88 1.0Si 3 0.0816 0.4710 0.2940 1.8 1.0Si 4 0.0811 0.4703 0.0727 2.27 1.0Si 5 0.1217 0.3812 0.3706 1.97 1.0Si 6 0.0782 0.2904 0.2486 2.05 1.0O 1 0.0993 0.3514 0.1995 3.71 1.0O 2 0.0923 0.3520 0.4391 4.1 1.0O 3 0.1063 0.4430 0.3533 3.48 1.0O 4 0.1306 0.4517 0.1122 3.49 1.0O 5 0.1298 0.4794 0.2351 4.37 1.0O 6 0.0847 0.3203 0.3175 3.98 1.0O 7 0.0 0.2363 0.5 3.29 1.0O 8 0.1375 0.2750 0.5 4.37 1.0O 9 0.0 0.2285 0.2361 2.88 1.0O 10 0.0 0.4158 0.879 4.33 1.0O 11 0.0 0.4188 0.2775 3.55 1.0O 12 0.0953 0.4615 0.0 3.76 1.0O 13 0.2295 0.4590 0.1903 3.45 1.0O 14 0.0935 0.5468 0.3133 2.78 1.0O 15 0.2050 0.4101 0.3678 2.8 1.0O 16 0.1293 0.2586 0.2404 2.8 1.0O 17 0.0974 0.5487 0.0867 4.36 1.0C 1 0.5 0.0 0.5 11.84 1.0C 2 0.4453 0.0246 0.5 11.84 0.3333C 3 0.5197 0.0394 0.4403 11.84 0.3333C 4 0.66667 0.33333 0.2688 11.84 1.0C 5 0.6406 0.2811 0.3088 11.84 0.3333C 6 0.5949 0.2974 0.3129 9.67 0.3333

Refined in higher symmetry space group (P6/mmm) with disordered T-sites.

DFTMagnesium Phosphate UiO-20

REFINED COMPOSITION: |C32N32| [Mg32P32O128]

CRYSTAL DATA: C1 2/c 1 (No. 15; unique axis b, cell choice 1)a = 20.9098 A b = 17.8855 A c = 14.7913 Aα = 90.0◦ β = 134.842◦ γ = 90.0◦


REFERENCE: K. O. Kongshaug, H. Fjellvag and K. P. Lillerud,Chemistry of Materials 12 1095–1099 (2000).

Atom x y z Biso occ

Mg 1 0.6337 0.5791 0.8697 0.71 1.0Mg 2 0.1339 0.5828 0.8798 0.71 1.0Mg 3 0.5134 0.6686 0.3938 0.63 1.0Mg 4 0.0011 0.6701 0.3846 0.79 1.0P 1 0.488 0.645 0.5859 0.71 1.0P 2 0.8503 0.6002 0.1141 0.63 1.0P 3 0.6496 0.3955 0.8964 0.71 1.0P 4 -0.0044 0.6504 0.5961 0.63 1.0O 1 0.5787 0.5965 0.9299 1.58 1.0O 2 0.0369 0.7735 0.4253 1.18 1.0O 3 0.5851 0.6279 0.7143 1.34 1.0O 4 0.4803 0.6232 0.4771 0.87 1.0O 5 0.9112 0.6126 0.0934 1.5 1.0O 6 0.8792 0.651 0.2222 1.11 1.0O 7 0.8516 0.5192 0.1478 0.87 1.0O 8 0.7528 0.6233 -0.0102 1.11 1.0O 9 0.6387 0.4745 0.8498 1.18 1.0O 10 0.5918 0.3403 0.785 1.03 1.0O 11 0.7491 0.3707 0.9848 0.87 1.0O 12 0.6227 0.3894 0.9709 1.18 1.0O 13 0.0852 0.6474 0.7371 1.26 1.0O 14 -0.0463 0.7283 0.5554 0.87 1.0O 15 0.9297 0.5921 0.571 1.26 1.0O 16 0.014 0.6254 0.5161 0.79 1.0N 1 0.1204 0.501 0.6262 1.03 1.0N 2 0.6261 0.5053 0.6242 1.11 1.0N 3 0.7586 0.2534 0.1335 1.03 1.0N 4 0.7341 0.7513 0.1062 1.18 1.0C 1 0.7169 0.4716 0.7168 1.11 1.0C 2 0.2119 0.5328 0.7085 1.11 1.0C 3 0.7604 0.2203 0.2269 0.87 1.0C 4 0.7403 0.7825 0.204 1.03 1.0

DOH N2, Piperidine Dodecasil 1H




REFERENCE: H. Gerke and H. Gies,Z. Kristallogr. 166 11–22 (1984).

Atom x y z Biso occ

Si 1 0.4186 0.2093 0.2252 2.12 1.0Si 2 0.3868 0.0 0.3627 2.36 1.0Si 3 0.2628 0.1314 0.0 1.63 1.0Si 4 0.3333 0.6667 0.1384 1.95 1.0O 1 0.1052 0.3933 0.3031 6.49 1.0O 2 0.5429 0.2715 0.8164 5.56 1.0O 3 0.3405 0.1702 0.1139 4.38 1.0O 4 0.3601 0.0 0.5 4.49 1.0O 5 0.1865 0.0 0.0 4.0 1.0O 6 0.5 0.0 0.3451 7.25 1.0O 7 0.3333 0.6667 0.0 10.14 1.0C 1 0.333 0.667 0.356 10.26 0.1C 2 0.381 0.762 0.402 10.26 0.1C 3 0.309 0.618 0.436 10.26 0.1C 4 0.230 0.760 0.500 10.26 0.1C 5 0.0 0.5 0.036 10.26 0.1C 6 0.092 0.636 0.0 10.26 0.1C 7 0.122 0.531 0.0 10.26 0.1C 8 0.0 0.431 0.0 10.26 0.1C 9 0.140 0.570 0.122 10.26 0.1C 10 0.0 0.0 0.296 10.26 0.1C 11 0.038 0.010 0.380 10.26 0.1C 12 0.040 0.080 0.458 10.26 0.1C 13 0.041 0.082 0.316 10.26 0.1C 14 0.085 0.0 0.398 10.26 0.1C 15 0.0 0.0 0.049 10.26 0.1C 16 0.199 0.398 0.462 10.26 0.1

Thermal parameter U33 for O1 was changed from 0.7570 to 0.0757 when computing Biso.

DONUTD-1

REFINED COMPOSITION: |Co2C35| [Si64O128]

CRYSTAL DATA: Pc (No. 7; unique axis b, cell choice 1)a = 14.9701 A b = 8.4761 A c = 30.0278 Aα = 90◦ β = 102.65◦ γ = 90◦

X-ray Rietveld refinement, RF = 0.041, Rwp = 0.134

REFERENCE: T. Wessels, Ch. Baerlocher, L. B. McCusker and E. J. Creyghton,J. Am. Chem. Soc. 121 6242–6247 (1999).

Atom x y z Biso occ

Si 1 0.096 0.180 0.1066 0.95 1.0Si 2 0.076 0.313 0.1986 0.95 1.0Si 3 0.124 0.180 0.2943 0.95 1.0Si 4 0.240 0.305 0.3824 0.95 1.0Si 5 0.410 0.176 0.4374 0.95 1.0Si 6 0.608 0.306 0.4689 0.95 1.0Si 7 0.793 0.183 0.4654 0.95 1.0Si 8 0.912 0.307 0.3992 0.95 1.0Si 9 0.929 0.182 0.3045 0.95 1.0Si 10 0.868 0.309 0.2072 0.95 1.0Si 11 0.769 0.176 0.1199 0.95 1.0Si 12 0.585 0.308 0.0659 0.95 1.0Si 13 0.398 0.190 0.040 0.95 1.0Si 14 0.206 0.316 0.041 0.95 1.0Si 15 0.902 0.318 0.0631 0.95 1.0Si 16 0.108 0.180 0.4432 0.95 1.0Si 17 0.081 0.816 0.1046 0.95 1.0Si 18 0.076 0.675 0.1994 0.95 1.0Si 19 0.127 0.807 0.2936 0.95 1.0Si 20 0.239 0.678 0.3836 0.95 1.0Si 21 0.418 0.808 0.4366 0.95 1.0Si 22 0.604 0.687 0.4663 0.95 1.0Si 23 0.798 0.810 0.4672 0.95 1.0Si 24 0.914 0.679 0.4024 0.95 1.0Si 25 0.931 0.797 0.3052 0.95 1.0Si 26 0.867 0.670 0.2096 0.95 1.0Si 27 0.762 0.809 0.1211 0.95 1.0Si 28 0.587 0.313 0.5659 0.95 1.0Si 29 0.386 0.181 0.5374 0.95 1.0Si 30 0.194 0.685 0.040 0.95 1.0Si 31 0.890 0.318 0.5625 0.95 1.0Si 32 0.110 0.808 0.4458 0.95 1.0O 1 0.169 0.278 0.0863 0.32 1.0O 2 0.108 0.208 0.1608 0.32 1.0O 3 0.131 0.265 0.2484 0.32 1.0O 4 0.101 0.494 0.1903 0.32 1.0O 5 0.209 0.230 0.3331 0.32 1.0O 6 0.033 0.230 0.3097 0.32 1.0O 7 0.125 0.995 0.287 0.32 1.0O 8 0.348 0.283 0.3979 0.32 1.0

continued . . .

DON UTD-1


Atom x y z Biso occ

O 9 0.191 0.220 0.4183 0.32 1.0O 10 0.215 0.491 0.3798 0.32 1.0O 11 0.513 0.230 0.443 0.32 1.0O 12 0.375 0.202 0.4835 0.32 1.0O 13 0.689 0.237 0.4472 0.32 1.0O 14 0.624 0.264 0.5218 0.32 1.0O 15 0.601 0.496 0.4626 0.32 1.0O 16 0.851 0.210 0.4274 0.32 1.0O 17 0.839 0.279 0.5109 0.32 1.0O 18 0.890 0.251 0.3468 0.32 1.0O 19 0.797 0.997 0.4778 0.32 1.0O 20 0.887 0.494 0.402 0.32 1.0O 21 0.870 0.253 0.2581 0.32 1.0O 22 0.919 0.990 0.3025 0.32 1.0O 23 0.797 0.197 0.1738 0.32 1.0O 24 0.967 0.294 0.195 0.32 1.0O 25 0.831 0.489 0.2009 0.32 1.0O 26 0.664 0.227 0.1035 0.32 1.0O 27 0.833 0.285 0.0962 0.32 1.0O 28 0.489 0.247 0.0739 0.32 1.0O 29 0.598 0.741 0.5166 0.32 1.0O 30 0.590 0.502 0.5718 0.32 1.0O 31 0.314 0.288 0.0503 0.32 1.0O 32 0.382 0.996 0.5496 0.32 1.0O 33 0.186 0.499 0.0267 0.32 1.0O 34 0.112 0.995 0.0982 0.32 1.0O 35 0.853 0.725 0.5119 0.32 1.0O 36 0.994 0.221 0.0794 0.32 1.0O 37 0.929 0.497 0.5648 0.32 1.0O 38 0.019 0.282 0.4218 0.32 1.0O 39 0.140 0.216 0.497 0.32 1.0O 40 0.146 0.707 0.0822 0.32 1.0O 41 0.095 0.780 0.1582 0.32 1.0O 42 0.140 0.730 0.2469 0.32 1.0O 43 0.212 0.756 0.334 0.32 1.0O 44 0.034 0.750 0.3059 0.32 1.0O 45 0.346 0.700 0.4027 0.32 1.0O 46 0.185 0.760 0.4177 0.32 1.0O 47 0.518 0.757 0.4306 0.32 1.0O 48 0.406 0.218 0.988 0.32 1.0O 49 0.401 0.992 0.4223 0.32 1.0O 50 0.695 0.749 0.4535 0.32 1.0O 51 0.848 0.780 0.4262 0.32 1.0O 52 0.903 0.736 0.3507 0.32 1.0O 53 0.864 0.721 0.2612 0.32 1.0O 54 0.799 0.786 0.1748 0.32 1.0O 55 0.969 0.689 0.2014 0.32 1.0O 56 0.655 0.232 0.6092 0.32 1.0O 57 0.817 0.305 0.5948 0.32 1.0O 58 0.780 0.991 0.1064 0.32 1.0

continued . . .

DONUTD-1


Atom x y z Biso occ

O 59 0.484 0.252 0.5629 0.32 1.0O 60 0.303 0.269 0.5536 0.32 1.0O 61 0.975 0.203 0.5788 0.32 1.0O 62 0.153 0.211 0.9993 0.32 1.0O 63 0.083 0.993 0.4353 0.32 1.0O 64 0.019 0.702 0.4307 0.32 1.0Co 0.502 0.258 0.2542 1.82 1.0C 1 0.518 0.060 0.218 5.53 1.0C 2 0.577 0.054 0.262 5.53 1.0C 3 0.523 0.062 0.295 5.53 1.0C 4 0.429 0.071 0.271 5.53 1.0C 5 0.426 0.070 0.224 5.53 1.0C 6 0.558 0.063 0.346 11.05 1.0C 7 0.681 0.030 0.271 11.05 1.0C 8 0.546 0.050 0.172 11.05 1.0C 9 0.340 0.070 0.186 11.05 1.0C 10 0.347 0.068 0.294 11.05 1.0C 11 0.543 0.450 0.222 5.53 1.0C 12 0.584 0.453 0.270 5.53 1.0C 13 0.512 0.457 0.294 5.53 1.0C 14 0.427 0.456 0.262 5.53 1.0C 15 0.446 0.452 0.217 5.53 1.0C 16 0.525 0.473 0.345 11.05 1.5C 17 0.686 0.457 0.291 11.05 1.5C 18 0.594 0.456 0.184 11.05 1.5C 19 0.376 0.462 0.172 11.05 1.5C 20 0.333 0.466 0.272 11.05 1.5

The occupancies of C16 – C20 were set to 1.5 to simulate a CH3 group.

EAB Bellbergite

REFINED COMPOSITION: |K2Ca6Sr2(H2O)30| [Si18.45Al17.55O72]Bellberg Volcano, Eifel, Germany



REFERENCE: B. Rudinger, E. Tillmanns and G. Hentschel,Mineralogy and Petrology 48 147–152 (1993).

Atom x y z Biso occ

K 0.105 0.210 0.25 5.0 0.3333Ca 1 0.0 0.0 0.0 0.5 1.0Ca 2 0.33333 0.66667 0.130 6.9 1.0Sr 0.33333 0.66667 0.9119 2.4 0.5Si 1 0.4215 0.3313 0.1538 1.09 0.5125Si 2 0.2476 0.0 0.0 0.36 0.5125Al 1 0.4215 0.3313 0.1538 1.09 0.4875Al 2 0.2476 0.0 0.0 0.36 0.4875O 1 0.1127 0.225 0.003 0.5 1.0O 2 0.6818 0.000 0.9158 1.2 1.0O 3 0.958 0.327 0.25 2.1 1.0O 4 0.2295 0.459 0.864 1.6 1.0O 5 0.4590 0.918 0.862 1.8 1.0H2O 1 0.33333 0.66667 0.75 5.0 1.0H2O 2 0.413 0.826 0.25 3.5 1.0H2O 3 0.587 0.174 0.965 3.0 0.5H2O 4 0.218 0.436 0.159 3.6 1.0H2O 5 0.0 0.0 0.643 1.4 1.0

EAB(Na, Tetramethylammonium)-E



X-ray powder refinement, R = 0.19

REFERENCE: W. M. Meier and M. Groner,J. Solid State Chem. 37 204–218 (1981).

Atom x y z Biso occ

Si 1 0.233 0.0 0.0 0.9 0.739Si 2 0.425 0.093 0.146 2.4 0.739Al 1 0.233 0.0 0.0 0.9 0.261Al 2 0.425 0.093 0.146 2.4 0.261O 1 0.309 -0.003 0.088 0.8 1.0O 2 0.212 0.106 0.006 0.5 1.0O 3 0.478 0.239 0.117 3.2 1.0O 4 0.399 0.081 0.25 2.6 1.0O 5 0.536 0.072 0.106 2.0 1.0H2O 1 0.6667 0.3333 -0.003 5.0 0.87H2O 2 0.461 -0.078 0.25 2.0 0.5H2O 3 0.454 0.227 -0.122 5.0 0.91H2O 4 0.0 0.0 -0.184 0.6 1.19H2O 5 0.068 0.136 0.75 0.9 0.7H2O 6 0.35 0.175 0.75 5.0 1.21H2O 7 0.708 0.354 -0.073 2.1 0.49

H2O is here assumed to have the same scattering factor as oxygen (O2−).

EDI Edingtonite

REFINED COMPOSITION: |Ba1.95(H2O)7| [Si6Al4O20]Bathurst, New Brunswick, Canada


Neutron single crystal refinement, Rw = 0.070, RF2 = 0.055

REFERENCE: A. Kvick and J. V. Smith,J. Chem. Phys. 79 2356–2362 (1983).

Atom x y z Biso occ

Ba 0.5 0.0 0.63117 1.24 0.974Si 1 0.0 0.0 0.01365 0.55 1.0Si 2 -0.17568 0.09407 0.38762 0.57 1.0Al 0.09245 0.17139 0.62657 0.42 1.0O 1 0.17414 0.33126 0.63273 0.68 1.0O 2 -0.05301 0.19639 0.46728 0.67 1.0O 3 0.19836 0.03763 0.53741 0.78 1.0O 4 0.03649 0.13362 0.87695 1.16 1.0O 5 -0.13505 0.03586 0.15743 1.03 1.0H 1 0.13081 0.26044 0.05620 3.03 0.844H 2 0.23738 0.36941 0.06351 6.97 0.844O 6 0.17627 0.32248 0.14994 1.73 0.844H 3 0.30048 0.08839 0.04942 6.68 0.909H 4 0.41511 0.20440 0.03767 4.22 0.909O 7 0.37851 0.12200 -0.02375 3.2 0.909

EMTEMC-2, Calcined

REFINED COMPOSITION: |Na8.3(H2O)6| [Si76.03Al19.97O192]




Atom x y z Biso occ

Na 2 0.589 0.177 0.047 2.527 0.25Na 3 0.66667 0.33333 0.627 2.527 0.325Na 4 0.3571 0.179 0.388 2.527 0.333Si 1 0.3734 0.0962 0.0167 0.869 0.792Si 2 0.4275 0.034 0.1069 0.869 0.792Si 3 0.4874 0.1546 -0.0730 0.869 0.792Si 4 0.4867 0.1521 0.1961 0.869 0.792Al 1 0.3734 0.0962 0.0167 0.869 0.208Al 2 0.4275 0.034 0.1069 0.869 0.208Al 3 0.4874 0.1546 -0.0730 0.869 0.208Al 4 0.4867 0.1521 0.1961 0.869 0.208O 1 0.457 0.130 -0.0187 1.5 1.0O 2 0.292 0.0 0.0 1.5 1.0O 3 0.340 0.170 0.018 1.5 1.0O 4 0.403 0.093 0.0713 1.5 1.0O 5 0.425 0.069 0.1601 1.5 1.0O 6 0.356 -0.072 0.1103 1.5 1.0O 7 0.528 0.056 0.094 1.5 1.0O 8 0.478 0.239 -0.092 1.5 1.0O 9 0.594 0.188 -0.074 1.5 1.0O 10 0.472 0.236 0.181 1.5 1.0O 11 0.591 0.1818 0.187 1.5 1.0O 12 0.453 0.117 0.25 1.5 1.0H2O 0.709 0.291 0.080 2.527 0.5

EMT EMC-2, Partially Dehydrated

REFINED COMPOSITION: |Na20C60O24(H2O)22.6| [Si76.03Al19.97O192]




Atom x y z Biso occ

Si 1 0.370 0.096 0.018 1.34 0.792Al 1 0.370 0.096 0.018 1.34 0.208Si 2 0.429 0.037 0.108 1.34 0.792Al 2 0.429 0.037 0.108 1.34 0.208Si 3 0.488 0.155 -0.070 1.34 0.792Al 3 0.488 0.155 -0.070 1.34 0.208Si 4 0.489 0.154 0.195 1.34 0.792Al 4 0.489 0.154 0.195 1.34 0.208O 1 0.459 0.130 -0.015 1.11 1.0O 2 0.288 0.0 0.0 1.11 1.0O 3 0.333 0.167 0.015 1.11 1.0O 4 0.396 0.088 0.073 1.11 1.0O 5 0.427 0.069 0.162 1.11 1.0O 6 0.361 -0.071 0.105 1.11 1.0O 7 0.531 0.063 0.093 1.11 1.0O 8 0.473 0.236 -0.087 1.11 1.0O 9 0.594 0.188 -0.075 1.11 1.0O 10 0.478 0.239 0.179 1.11 1.0O 11 0.592 0.183 0.186 1.11 1.0O 12 0.460 0.127 0.25 1.11 1.0O 13 0.409 0.591 0.25 4.97 1.0O 14 0.561 0.781 0.205 4.97 0.5O 15 0.103 0.206 0.094 4.97 0.5O 16 0.170 0.085 0.137 4.97 0.5C 1 0.498 0.630 0.235 4.97 0.75C 2 0.511 0.689 0.192 4.97 0.75C 3 0.176 0.190 0.149 4.97 1.0H2O 1 0.717 0.283 0.073 4.97 0.667H2O 2 0.333 -0.333 0.003 4.97 0.65H2O 3 0.106 0.007 0.044 4.97 0.5Na 1 0.333 0.667 0.111 3.0 0.5Na 2 0.667 0.333 0.156 3.0 0.5Na 3 0.344 0.172 0.110 3.0 0.5Na 4 0.0 0.0 0.132 3.0 0.5Na 5 0.333 0.667 0.25 3.0 1.0Na 6 -0.404 0.192 0.034 3.0 0.5

EONTNU-7

REFINED COMPOSITION: |Na11.7| [Ga12.36Si47.64]

CRYSTAL DATA: Pmmn (No. 59; origin at centre 1)a = 7.5789 A b = 18.089 A c = 25.853 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: S. J. Warrender, P. A. Wright, W. Zhou, P. Lightfoot, M. A. Camblor,C-H. Shin, D. J. Kim and S. B. Hong, Chem. Mater. 17 1272–1274 (2005).M. E. Leonowicz and D. E. W. Vaughan,Nature 329 819–821 (1987);

Atom x y z Biso occ

Si 1 -0.25 0.16294 -0.00396 1.63 0.794Si 2 -0.25 0.0747 0.1037 1.63 0.794Si 3 -0.25 0.1607 0.2119 1.63 0.794Si 4 0.0353 0.1919 -0.0893 1.63 0.794Si 5 0.04717 -0.0203 0.1447 1.63 0.794Si 6 0.0429 0.0577 0.2489 1.63 0.794Si 7 0.25 0.1637 0.3958 1.63 0.794Si 8 0.25 0.1675 0.5187 1.63 0.794Si 9 -0.0468 0.0524 0.3633 1.63 0.794Si 10 0.0496 -0.0513 0.4516 1.63 0.794Ga 1 -0.25 0.16294 -0.00396 1.63 0.206Ga 2 -0.25 0.0747 0.1037 1.63 0.206Ga 3 -0.25 0.1607 0.2119 1.63 0.206Ga 4 0.0353 0.1919 -0.0893 1.63 0.206Ga 5 0.04717 -0.0203 0.1447 1.63 0.206Ga 6 0.0429 0.0577 0.2489 1.63 0.206Ga 7 0.25 0.1637 0.3958 1.63 0.206Ga 8 0.25 0.1675 0.5187 1.63 0.206Ga 9 -0.0468 0.0524 0.3633 1.63 0.206Ga 10 0.0496 -0.0513 0.4516 1.63 0.206O 1 -0.25 0.25 0.012 3.1 1.0O 2 -0.25 0.1134 0.0479 3.1 1.0O 3 -0.25 0.1304 0.1523 3.1 1.0O 4 -0.25 0.25 0.203 3.1 1.0O 5 -0.078 0.1335 -0.0376 3.1 1.0O 6 -0.064 0.028 0.1017 3.1 1.0O 7 -0.079 0.1348 0.2473 3.1 1.0O 8 -0.019 0.25 -0.1054 3.1 1.0O 9 -0.015 -0.006 0.2064 3.1 1.0O 10 0.25 0.156 -0.0739 3.1 1.0O 11 0.25 -0.004 0.1373 3.1 1.0O 12 0.25 0.0841 0.2508 3.1 1.0O 13 -0.004 0.1108 -0.1413 3.1 1.0O 14 -0.001 0.0183 0.3051 3.1 1.0O 15 0.25 0.25 0.3769 3.1 1.0O 16 0.25 0.25 0.5445 3.1 1.0O 17 0.25 0.159 0.4571 3.1 1.0O 18 0.071 0.127 0.372 3.1 1.0O 19 0.075 0.1253 0.5387 3.1 1.0O 20 0.014 -0.021 0.3928 3.1 1.0

continued . . .

EON TNU-7


Atom x y z Biso occ

O 21 0.0 0.0 0.5 3.1 1.0O 22 -0.25 0.069 0.3744 3.1 1.0O 23 -0.25 0.0887 0.5384 3.1 1.0Na 1 0.0 0.0 0.0 1.6 0.89Na 2 0.059 0.25 0.299 1.6 0.59Na 3 0.168 0.75 0.482 1.6 0.23Na 4 0.75 0.557 0.23 1.6 0.67Na 5 0.25 0.688 0.145 1.6 0.32Na 6 0.25 0.75 0.905 1.6 0.45

The original ECR-1 material was not refined.

EPIEpistilbite

REFINED COMPOSITION: |Na1.04Ca2.56(H2O)15.75| [Si17.76Al6.24O48]Teigarhorn, Iceland



REFERENCE: A. J. Perrotta,Mineral. Mag. 36 480–490 (1967).

Atom x y z Biso occ

Na 0.760 0.0 0.251 2.6 0.26Ca 0.760 0.0 0.251 2.6 0.64Si 1 0.001 0.088 0.161 0.6 0.74Si 2 0.293 0.208 0.390 0.8 0.74Si 3 0.707 0.197 0.097 1.1 0.74Al 1 0.001 0.088 0.161 0.6 0.26Al 2 0.293 0.208 0.390 0.8 0.26Al 3 0.707 0.197 0.097 1.1 0.26O 1 0.021 0.0 0.215 0.8 1.0O 2 0.0 0.100 0.0 2.0 1.0O 3 0.812 0.117 0.132 1.7 1.0O 4 0.170 0.134 0.309 1.5 1.0O 5 0.5 0.180 0.0 3.1 1.0O 6 0.5 0.179 0.5 1.1 1.0O 7 0.75 0.25 0.0 4.6 1.0O 8 0.773 0.233 0.261 4.7 1.0O 9 0.25 0.25 0.5 4.6 1.0H2O 1 0.724 0.0 0.502 4.9 0.875H2O 2 0.0 0.078 0.5 4.9 0.875H2O 3 0.559 0.082 0.281 4.0 0.875H2O 4 0.5 0.0 0.0 3.3 0.875

ERI Erionite

REFINED COMPOSITION: |K2Na1.86Ca1.3Mg0.7(H2O)6.12| [Si27Al9O72]Wenatchee, Washington, U.S.A.



REFERENCE: J. A. Gard and J. M. Tait,in Proceedings of the Third International Conference on Molecular Sieves;Recent Progress Reports, Zurich,Ed. by J. B. Uytterhoeven (Leuven University Press) 94–99 (1973).

Atom x y z Biso occ

Na 1 0.3333 0.6667 0.14 3.0 0.30Na 2 0.5 0.0 0.0 3.1 0.11K 0.0 0.0 0.25 1.98 1.0Mg 0.66667 0.33333 0.2030 3.0 0.175Ca 1 0.3333 0.6667 0.14 3.0 0.07Ca 2 0.5 0.0 0.0 3.1 0.04Ca 3 0.66667 0.33333 0.0730 3.6 0.195Si 1 0.00021 0.23350 0.10446 0.90 0.75Si 2 0.0935 0.4245 0.2500 1.10 0.75Al 1 0.00021 0.23350 0.10446 0.90 0.25Al 2 0.0935 0.4245 0.2500 1.10 0.25O 1 0.0267 0.3493 0.1610 2.42 1.0O 2 0.0979 0.1957 0.1264 1.65 1.0O 3 0.1258 0.2516 0.6339 1.90 1.0O 4 0.2638 0.0 0.0 2.45 1.0O 5 0.2293 0.4585 0.25 2.1 1.0O 6 0.4603 0.9206 0.25 2.8 1.0H2O 1 0.4890 0.2450 0.25 4.6 0.34H2O 2 0.2490 0.4970 0.0160 1.9 0.11H2O 3 0.8950 0.4480 0.0950 4.2 0.23

ERIPiperidine AlPO–17

REFINED COMPOSITION: |C24O4.14| [Al18P18O72]



REFERENCE: J. J. Pluth, J. V. Smith and J. M. Bennett,Acta Cryst. C42 283–286 (1986).

Atom x y z Biso occ

Al 1 0.7708 0.9983 0.1180 2.76 1.0Al 2 0.0999 0.4214 0.2500 1.9 1.0P 1 0.9989 0.2369 0.0938 1.97 1.0P 2 0.5675 0.9079 0.2500 1.42 1.0O 1 0.0365 0.3435 0.1529 3.0 1.0O 11 0.6373 0.9669 0.1649 2.13 1.0O 2 0.0826 0.1910 0.1053 3.16 1.0O 3 0.1432 0.2640 0.6244 3.16 1.0O 4 0.2773 0.0030 0.9970 3.32 1.0O 5 0.2468 0.4693 0.2500 2.6 1.0O 6 0.4584 0.9171 0.2500 2.05 1.0O 7 0.1721 0.1876 0.2500 3.47 0.69C 1 0.3770 0.7930 0.9599 33.1 1.0C 2 0.4590 0.7490 0.9920 33.1 1.0

ESV ERS-7 Framework




REFERENCE: R. Millini, G. Perego, L. Carluccio, G. Bellussi, D. E. Cox, B. J. Campbelland A. K. Cheetham, in Proc. of the 12th International Zeolite Conference,Ed. by M. M. J. Treacy, B. K. Marcus, J. B. Higgins and M. E. Bisher(Materials Research Society: Warrendale) vol. I 541–548 (1999).

Atom x y z Biso occ

Si 1 0.3402 0.8726 0.8634 1.97 1.0Si 2 0.6431 0.8742 0.5312 1.97 1.0Si 3 0.885 0.5148 0.9184 1.82 1.0Si 4 0.1522 0.8753 0.6532 2.13 1.0Si 5 0.9631 0.1242 0.809 1.34 1.0Si 6 0.2262 0.4812 0.7616 1.5 1.0O 1 0.3061 0.75 0.8436 2.92 1.0O 2 0.2695 0.8974 0.9252 3.16 1.0O 3 0.4999 0.8899 0.8714 3.32 1.0O 4 0.2792 0.953 0.8154 6.08 1.0O 5 0.639 0.75 0.5129 2.84 1.0O 6 0.6641 0.9451 0.473 2.84 1.0O 7 0.5035 0.902 0.5622 3.4 1.0O 8 0.9441 0.4377 0.8693 4.26 1.0O 9 0.7618 0.5839 0.8935 3.47 1.0O 10 0.1818 0.75 0.669 4.97 1.0O 11 0.1698 0.5614 0.7136 6.63 1.0O 12 0.9527 0.25 0.8208 3.16 1.0O 13 0.3481 0.4091 0.7358 3.87 1.0O 14 0.1074 0.4034 0.7828 4.82 1.0

ETRECR-34

REFINED COMPOSITION: |K8.88| [Si36.48Ga11.52O96]



REFERENCE: K. G. Strohmaier and D. E. W. Vaughan,J. Am. Chem. Soc. 125 16035–16039 (2003).

Atom x y z Biso occ

Si 1 0.7451 0.1059 0.0165 1.34 0.76Si 2 0.6672 0.1847 0.1510 1.34 0.76Si 3 0.6416 0.9720 0.2287 1.34 0.76Si 4 0.6143 0.0740 0.4425 1.34 0.76Ga 1 0.7451 0.1059 0.0165 1.34 0.24Ga 2 0.6672 0.1847 0.1510 1.34 0.24Ga 3 0.6416 0.9720 0.2287 1.34 0.24Ga 4 0.6143 0.0740 0.4425 1.34 0.24O 1 0.7447 0.0736 0.8377 1.66 1.0O 2 0.8306 0.1694 0.0620 1.66 1.0O 3 0.6909 0.1424 0.0143 1.66 1.0O 4 0.7159 0.0422 0.156 1.66 1.0O 5 0.7253 0.2747 0.146 1.66 1.0O 6 0.5839 0.1678 0.099 1.66 1.0O 7 0.6625 0.1479 0.3294 1.66 1.0O 8 0.5844 0.9157 0.093 1.66 1.0O 9 0.5950 -0.0002 0.339 1.66 1.0O 10 0.5342 0.0684 0.491 1.66 1.0K 1 0.5449 0.4551 0.849 6.32 0.62K 2 0.3844 0.1922 0.540 9.47 0.86

Non-framework cations were refined as potassium.

EUO o-FDBDM ZSM-50

REFINED COMPOSITION: |C60F8N4| [Si112O224]

CRYSTAL DATA: Cmme (No. 67)a = 13.726 A b = 22.171 A c = 20.254 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: M. Arranz, J. Perez-Pariente, P. A. Wright, A. M. Z. Slawin,T. Blasco, Luis Gomez-Hortiguela and F. Cora,Chem. Mater. 17 4374–4385 (2005).

Atom x y z Biso occ

Si 1 0.2113 0.43268 0.31343 1.67 1.00Si 2 0.3135 0.37443 0.43591 1.76 1.00Si 3 0.3862 0.25 0.3846 2.02 1.00Si 4 0.3886 0.25 0.2335 2.08 1.00Si 5 0.3103 0.37435 0.19170 1.67 1.00Si 6 0.2129 0.43262 0.07141 1.68 1.00Si 7 0.0 0.4673 0.0687 3.17 1.00Si 81 0.0 0.547 0.2006 1.58 0.50Si 91 0.0 0.4728 0.3269 1.26 0.50Si 10 0.0 0.5463 0.4581 1.82 0.50Si 82 0.0 0.550 0.1813 2.29 0.50Si 92 0.0 0.4705 0.3044 2.21 0.50Si 11 0.0 0.5745 0.4298 1.74 0.50F 1 0.443 0.317 0.279 4.82 0.25O 1 0.25 0.5 0.3060 4.50 1.00O 2 0.0946 0.4312 0.3178 3.00 1.00O 3 0.2409 0.3941 0.2513 4.42 1.00O 4 0.2544 0.4021 0.3770 5.61 1.00O 5 0.3393 0.3068 0.4204 5.05 1.00O 6 0.5 0.25 0.3968 4.97 1.00O 7 0.3595 0.25 0.3093 5.05 1.00O 8 0.3325 0.3047 0.1969 3.71 1.00O 9 0.2531 0.3849 0.1238 3.00 1.00O 10 0.4062 0.4134 0.1921 5.53 1.00O 11 0.25 0.5 0.0892 2.45 1.00O 12 0.25 0.3757 0.5 5.29 1.00O 13 0.4074 0.4128 0.4491 5.53 1.00O 14 0.0957 0.4287 0.0732 3.08 1.00O 15 0.5 0.25 0.2153 5.37 1.00O 16 0.25 0.4132 0.0000 2.68 1.00O 17 0.0 0.5157 0.0193 3.87 0.50O 18 0.0 0.5275 0.1052 2.76 0.50O 19 0.0 0.4931 0.1511 4.34 0.50O 20 0.0 0.4914 0.2300 3.95 0.50O 21 0.0 0.5261 0.2755 4.58 0.50O 22 0.0 0.5297 0.3522 2.84 0.50O 23 0.0 0.4887 0.4733 3.87 0.50O 24 0.0 0.4986 0.3997 4.03 0.50N 0.0 0.25 0.1878 3.08 1.00C 1 0.0 0.3042 0.2440 1.89 0.50

continued . . .

EUOo-FDBDM ZSM-50


Atom x y z Biso occ

C 2 0.088 0.2788 0.1894 2.68 0.50C 3 0.0 0.301 0.125 2.68 0.50C 31 0.0 0.2765 0.3120 1.74 0.50C 32 0.088 0.25 0.3433 4.82 1.00C 33 0.0885 0.25 0.4068 4.03 1.00C 34 0.0 0.25 0.439 13.42 1.00C 41 0.0 0.25 0.063 6.08 1.00C 42 0.0874 0.25 0.0297 3.16 1.00C 43 0.086 0.2825 -0.0290 3.24 0.50F 42 0.159 0.25 0.056 15.00 0.50

Si(7) is the average Si position of two locations for silicon atoms inthe two B chain configurations, each 50% occupied. These two locationscould not be refined independently.

EZT EMM-3



X-ray Rietveld refinement, Rp = 0.0538, Rw = 0.0700, RF2 = 0.038

REFERENCE: M. Afeworki, D. L. Dorset, G. J. Kennedy and K. G. Strohmaier,Chem. Mater. 18 1697–1704 (2006).

Atom x y z Biso occ

Al 1 0.1119 0.7753 0.4863 0.95 1.0Al 2 0.65436 0.0 0.21066 0.95 1.0Al 3 0.79486 0.0 0.66706 0.95 1.0Al 4 0.43411 0.0 0.31031 0.95 1.0Al 5 0.5 0.781 0.0 0.95 1.0P 1 0.11182 0.2216 0.24402 0.95 1.0P 2 0.79177 0.0 0.41337 0.95 1.0P 3 0.4322 0.0 0.0614 0.95 1.0P 4 0.66029 0.0 0.60599 0.95 1.0P 5 0.5 0.2233 0.5 0.95 1.0O 1 0.73316 0.0 0.29156 0.87 1.0O 2 0.7734 0.0 0.5125 0.87 1.0O 3 0.3683 0.0 0.9449 0.87 1.0O 4 0.4179 0.0 0.1633 0.87 1.0O 5 0.91026 0.805 0.66526 0.87 1.0O 6 0.72943 0.0 0.68143 0.87 1.0O 7 0.3667 0.0 0.3097 0.87 1.0O 8 0.05108 0.8016 0.50388 0.87 1.0O 9 0.17172 0.8804 0.57882 0.87 1.0O 10 0.13894 0.6187 0.52454 0.87 1.0O 11 0.53492 0.1215 0.93882 0.87 1.0O 12 0.057 0.1903 0.1181 0.87 1.0O 13 0.16663 0.1427 0.26673 0.87 1.0O 14 0.1242 0.3654 0.2413 0.87 1.0O 15 0.523 0.8652 0.6134 0.87 1.0

Converted from the ‘unique axis b, cell choice 3’ setting.

FARFarneseite

REFINED COMPOSITION: |(Na,K)53.4Ca3.04Cl2.59(SO4)8.54(H2O)3.03| [Si42Al42O168]Farnese, Viterbo Province, Italy.


X-ray single crystal refinement, R = 0.0765, R2w = 0.2117

REFERENCE: F. Camara, F. Bellatreccia, G. Della Ventura and A. Mottana,Eur. J. Mineral 17 839–846 (2005).

Atom x y z Biso occ

Al 1 0.6692 0.0828 0.4659 1.26 1.0Al 2 0.2524 0.0028 0.3922 1.11 1.0Al 3 0.5897 -0.0868 0.3213 0.87 1.0Al 4 0.2523 -0.0051 0.25 0.79 1.0Si 5 0.3371 -0.0813 0.3213 0.87 1.0Si 6 0.7505 -0.0015 0.3934 1.03 1.0Si 7 0.4151 0.0832 0.4649 1.11 1.0Si 8 0.2524 0.2507 0.25 0.79 1.0S 1 0.0 0.0 0.5 4.34 1.0S 2 0.666667 0.333333 0.3794 2.68 1.0S 3 0.666667 0.333333 0.25 2.68 1.0S 4 0.333333 0.666667 0.4247 3.95 0.134K 0.4372 0.219 0.318 2.76 0.912Na 1 0.5054 0.007 0.3927 1.11 0.864Na 1 0.524 0.047 0.3887 2.37 0.292Na 1 0.476 -0.058 0.4015 3.08 0.102Na 2 0.333333 0.666667 0.3036 8.21 0.249Na 2 0.333333 0.666667 0.3479 3.95 0.465Na 3 0.68 -0.1605 0.4649 3.00 0.451Na 3 0.597 -0.2044 0.4543 3.40 0.235Na 3 0.736 -0.1318 0.4718 2.84 0.357Na 4 0.0 0.0 0.3832 2.29 0.105Na 4 0.0 0.0 0.4144 4.50 0.805Na 5 0.0 0.0 0.25 0.87 0.120Na 5 0.0 0.0 0.2652 3.00 0.468Na 6 0.5143 0.0227 0.25 2.76 1.0Ca 0.666667 0.333333 0.4798 2.45 0.76O 1 0.324 -0.0134 0.3561 3.47 1.0O 2 0.6847 0.0187 0.4268 3.87 1.0O 3 0.7839 0.2269 0.4734 3.32 1.0O 4 0.2387 -0.2218 0.3203 2.13 1.0O 5 0.4662 -0.0702 0.3251 3.95 1.0O 6 0.5417 0.0902 0.462 3.47 1.0O 7 0.6657 -0.0189 0.3603 3.79 1.0O 8 0.6668 0.0002 0.5025 3.32 1.0O 9 0.3477 0.0316 0.4282 3.24 1.0O 10 0.3341 -0.0132 0.2862 3.08 1.0O 11 0.7841 -0.1015 0.25 1.89 1.0O 12 0.2611 0.1324 0.25 3.79 1.0

continued . . .

FAR Farneseite


Atom x y z Biso occ

O 13 0.2209 0.1157 0.3873 4.90 1.0O 14 0.6708 -0.0068 0.2842 3.79 1.0O 15 0.7573 -0.119 0.403 3.55 1.0O 30 0.666667 0.333333 0.4196 4.97 1.0O 31 0.6074 0.2101 0.3665 4.74 1.0O 32 0.666667 0.333333 0.2835 3.95 1.0O 33 0.5994 0.2156 0.2661 3.95 1.0O 34 0.4018 -0.2033 0.4094 6.08 0.134O 35 0.333333 0.666667 0.4604 3.95 0.134O 36 0.8998 -0.0076 0.4803 3.95 1.0Cl 0.3176 -0.3024 0.4306 3.95 0.216H2O 1 0.36 -0.407 0.25 3.95 0.266H2O 2 0.0 0.0 0.3238 3.95 0.357

FAUFaujasite

REFINED COMPOSITION: |Na16Ca16(H2O)42.7| [Si134.4Al57.6O384]Kaiserstuhl, Germany



REFERENCE: W. H. Baur,American Mineralogist 49 697–704 (1964).

Atom x y z Biso occ

Na 0.0699 0.0699 0.0699 2.6 0.5Ca 0.0699 0.0699 0.0699 2.6 0.5Si 0.12544 0.94655 0.03626 1.2 0.7Al 0.12544 0.94655 0.03626 1.2 0.3O 1 0.1742 0.1742 0.9680 2.8 1.0O 2 0.1773 0.1773 0.3232 2.5 1.0O 3 0.2527 0.2527 0.1435 2.5 1.0O 4 0.1053 0.8947 0.0 2.8 1.0H2O 1 0.1673 0.1673 0.1673 3.2 1.0H2O 2 0.272 0.272 0.272 3.9 0.333

FAU Na-X, Dehydrated

REFINED COMPOSITION: |Na92.9| [Si103.68Al88.32O384]



REFERENCE: D. H. Olson,Zeolites 15 439–443 (1995).

Atom x y z Biso occ

Na 1 0.0 0.0 0.0 3.18 0.18Na 2 0.0454 0.0454 0.0454 0.87 0.66Na 3 0.056 0.056 0.056 1.26 0.25Na 4 0.2292 0.2292 0.2292 2.53 0.97Na 5 0.423 0.326 0.158 2.32 0.11Na 6 0.432 0.280 0.164 1.68 0.11Na 61 0.465 0.317 0.158 1.68 0.09Si 1 -0.05381 0.12565 0.03508 1.41 1.0Si 2 -0.05524 0.03639 0.12418 1.46 0.08Al -0.05524 0.03639 0.12418 1.46 0.92O 1 -0.1099 0.0003 0.1056 2.47 1.0O 2 -0.0011 -0.0028 0.1416 2.45 1.0O 3 -0.0346 0.0758 0.0711 2.61 1.0O 4 -0.0693 0.0726 0.1800 2.37 1.0

FAUNa-X, Hydrated




REFERENCE: D. H. Olson,J. Phys. Chem. 74 2758–2764 (1970).

Atom x y z Biso occ

Na 1 0.0 0.0 0.0 2.53 0.54Na 2 0.060 0.060 0.060 0.5 0.24Na 3 0.230 0.230 0.230 0.5 0.39Na 4 0.238 0.238 0.238 0.5 0.36Si 1 -0.05291 0.12457 0.03509 1.16 1.0Si 2 -0.05352 0.03671 0.12309 1.04 0.08Al -0.05352 0.03671 0.12309 1.04 0.92O 1 -0.1099 0.0002 0.1054 2.2 1.0O 2 -0.0025 -0.0041 0.1445 1.76 1.0O 3 -0.0321 0.0730 0.0680 2.18 1.0O 4 -0.0706 0.0772 0.1761 2.11 1.0H2O 1 0.074 0.074 0.074 0.61 0.36H2O 2 0.093 0.086 0.176 1.66 0.27H2O 3 0.245 0.245 0.245 0.87 0.24H2O 4 0.281 0.298 0.275 0.95 0.13H2O 5 0.353 0.345 0.186 3.58 0.31H2O 6 0.239 0.240 0.392 3.58 0.29H2O 7 0.174 0.204 0.422 1.55 0.18H2O 8 0.212 0.387 0.288 2.82 0.17H2O 9 0.312 0.381 0.200 1.92 0.10H2O 10 0.258 0.412 0.204 2.42 0.14

FAU Ultrastable Y, Dehydrated Dealuminated

REFINED COMPOSITION: |Al5.6O22.4| [Si175.7Al16.3O384]


Neutron Rietveld refinement, Rwp = 0.1041, RI = 0.0561

REFERENCE: J. B. Parise, D. R. Corbin, L. Abrams and D. E. Cox,Acta Cryst. C40 1493–1497 (1984).

Atom x y z Biso occ

Si 0.1257 0.9460 0.0359 3.1 0.9153Al 1 0.1257 0.9460 0.0359 3.1 0.0847Al 2 0.1250 0.1250 0.1250 3.0 0.7O 1 0.1076 -0.1076 0.0000 4.5 1.0O 2 0.2539 0.2539 0.1406 4.5 1.0O 3 0.1747 0.1747 0.9634 4.5 1.0O 4 0.1798 0.1798 0.3217 4.5 1.0O 5 0.085 0.085 0.085 3.0 0.7

Occupancy of Al2 was constrained to equal that of O5 so that theunit cell population of O5 is four times that of Al2.

FAUNa-Y, Siliceous



Neutron Rietveld refinement, Rexp = 0.022, Rwp = 0.031

REFERENCE: J. J. Hriljac, M. M. Eddy, A. K. Cheetham, J. A. Donohue and G. J. Ray,J. Solid State Chem. 106 66–72 (1993).

Atom x y z Biso occ

Si -0.05392 0.12530 0.03589 0.37 0.98O 1 0.0 -0.10623 0.10623 1.16 1.0O 2 -0.00323 -0.00323 0.14066 1.42 1.0O 3 0.07570 0.07570 -0.03577 1.33 1.0O 4 0.07063 0.07063 0.32115 0.74 1.0

FAU Li-LSX

REFINED COMPOSITION: |Li87.36| [Si96Al96O384]

CRYSTAL DATA: Fd3 (No. 203; origin at centre 3 )a = 25.6957 A b = 25.6957 A c = 25.6957 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦

X-ray and neutron Rietveld refinement, Rp = 0.057, Rwp = 0.069

REFERENCE: M. Feuerstein and R. F. Lobo,Chemistry of Materials 2197–2204 (1998).

Atom x y z Biso occ

Si -0.0480 0.1246 0.0376 1.50 1.0Al -0.0511 0.0378 0.1224 1.50 1.0O 1 -0.1045 0.0028 0.0972 2.13 1.0O 2 0.0001 -0.0007 0.1533 2.13 1.0O 3 -0.0220 0.0724 0.0702 2.13 1.0O 4 -0.0742 0.0812 0.1711 2.13 1.0Li 1 0.0466 0.0466 0.0466 4.58 0.978Li 2 0.2232 0.2232 0.2232 2.92 1.047Li 3 0.387 0.401 0.122 7.82 0.235

FERFerrierite

REFINED COMPOSITION: |Na0.96Mg2(H2O)12| [Si30.24Al5.76O72]Kamloops Lake, British Columbia, Canada



REFERENCE: P. A. Vaughan,Acta Cryst. 21 983–990 (1966).

Atom x y z Biso occ

Na 0.4285 0.0 0.0 3.0 0.24Mg 0.0 0.0 0.500 3.29 1.0Si 1 0.1548 0.0 0.0 1.74 0.84Si 2 0.0841 0.2024 0.0 1.55 0.84Si 3 0.2727 0.0 0.2905 2.0 0.84Si 4 0.3232 0.2019 0.2067 2.08 0.84Al 1 0.1548 0.0 0.0 1.74 0.16Al 2 0.0841 0.2024 0.0 1.55 0.16Al 3 0.2727 0.0 0.2905 2.0 0.16Al 4 0.3232 0.2019 0.2067 2.08 0.16O 1 0.0 0.2131 0.0 3.84 1.0O 2 0.2528 0.0 0.5000 3.76 1.0O 3 0.1025 0.0882 0.0 5.63 1.0O 4 0.2039 0.0 0.1776 5.21 1.0O 5 0.2500 0.2500 0.2500 4.5 1.0O 6 0.1610 0.2833 0.5000 3.82 1.0O 7 0.1155 0.2497 0.1796 4.42 1.0O 8 0.3202 0.0907 0.2459 3.79 1.0H2O 1 0.0 0.0 0.2389 3.66 1.0H2O 2 0.0912 0.0691 0.5000 7.53 0.5H2O 3 0.0347 0.1403 0.5000 9.21 0.5

FER Ferrierite, Siliceous

REFINED COMPOSITION: [Si36O72]Dealuminated, synthetic powder.

CRYSTAL DATA: Pnnm (No. 58)a = 14.07025 A b = 7.41971 A c = 18.7202 Aα = 90◦ β = 90◦ γ = 90◦

Combined X-ray and neutron Rietveld refinement, Rwp = 0.123

REFERENCE: R. E. Morris, S. J. Weigel, N. J. Henson, L. M. Bull, M. T. Janicke,B. F. Chmelka and A. K. Cheetham,J. Amer. Chem. Soc. 116 11849–11855 (1994).

Atom x y z Biso occ

Si 1 0.0 0.0 0.15462 0.95 1.0Si 2 -0.0012 0.2905 0.27439 1.03 1.0Si 3 0.19990 0.0037 0.08373 1.26 1.0Si 4 0.2029 0.2255 0.33150 1.26 1.0Si 5 0.7950 0.1894 0.68200 0.47 1.0O 1 0.0 0.5 0.2479 1.97 1.0O 2 0.0099 0.1788 0.2027 3.00 1.0O 3 0.0899 0.0016 0.1039 2.29 1.0O 4 0.7804 -0.0202 0.6560 1.89 1.0O 5 0.2090 0.0377 0.0 0.87 1.0O 6 0.2494 0.2851 0.2580 2.45 1.0O 7 0.2403 0.1829 0.1248 1.66 1.0O 8 0.7393 0.1675 0.8994 2.92 1.0O 9 0.0879 0.2462 0.3291 2.21 1.0O 10 0.9040 0.2477 0.6846 2.21 1.0

Coordinates converted from Pmnn (cab) setting.

FRAFranzinite

REFINED COMPOSITION: |Ca30.72S22O70(H2O)6| [Si30Al30O120]Sacrofano, Latium, Italy



REFERENCE: P. Ballirano, E. Bonaccorsi, A. Maras and S. Merlino,Canadian Mineralogist 38 657–668 (2000).

Atom x y z Biso occ

Si 1 0.5834 0.6684 0.9018 1.25 1.0Al 1 0.4190 0.3332 0.0978 1.07 1.0Al 2 0.5866 0.6658 0.1963 1.50 1.0Si 2 0.4158 0.3323 0.8038 0.96 1.0Al 3 0.5927 0.6770 0.6028 0.95 1.0Si 3 0.4162 0.3365 0.3964 1.10 1.0Al 4 0.7511 0.7511 0.0000 1.42 1.0Si 4 0.2472 0.2472 0.0000 1.03 1.0Si 5 0.7486 0.7495 0.2976 1.03 1.0Al 5 0.2540 0.2515 0.7026 1.18 1.0Si 6 0.7485 0.7485 0.5000 1.11 1.0Al 6 0.2544 0.2544 0.5000 0.95 1.0O 1 0.4462 0.2180 0.1051 5.13 1.0O 2 0.8750 0.7478 0.2876 2.21 1.0O 3 0.2425 0.1159 0.5098 1.97 1.0O 4 0.3220 0.0005 0.3468 2.21 1.0O 5 0.6710 0.0020 0.6482 1.97 1.0O 6 0.6590 0.6760 0.5470 1.74 1.0O 7 0.3530 0.3302 0.4504 1.74 1.0O 8 0.6690 0.6500 0.1495 3.87 1.0O 9 0.3480 0.3510 0.8495 4.74 1.0O 10 0.4501 0.2340 0.3901 1.74 1.0O 11 0.6660 0.6860 0.9481 5.68 1.0O 12 0.3270 0.3070 0.0468 6.63 1.0O 13 0.4420 0.5490 0.1995 2.76 1.0O 14 0.5410 0.0786 0.3940 2.05 1.0O 15 0.6560 0.6730 0.2534 2.13 1.0O 16 0.3440 0.3200 0.7537 4.18 1.0O 17 0.8880 0.7821 0.6994 2.37 1.0O 18 0.4275 0.2200 0.8161 2.92 1.0O 19 0.9157 0.4540 0.0863 5.13 1.0O 20 0.1200 0.2330 0.0106 5.84 1.0S 1 0.3730 0.6760 0.0546 5.05 1.0S 2 0.3430 0.7060 0.7415 6.16 1.0S 3 0.0250 0.0230 0.1561 6.32 1.0S 4 0.3333 0.6667 0.3199 2.31 1.0S 5 0.3333 0.6667 0.4884 1.90 1.0H2O 0.0090 0.0390 0.6040 8.69 1.0Ca 1 0.6667 0.3333 0.8189 2.92 1.0

continued . . .

FRA Franzinite


Atom x y z Biso occ

Ca 2 0.0000 0.0000 0.4900 15.79 0.50Ca 3 0.0000 0.0000 0.7218 2.68 0.36Ca 31 0.0000 0.0000 0.7477 2.68 0.18Ca 32 0.0000 0.0000 0.7009 2.68 0.22Ca 4 0.0000 0.0000 0.0318 4.74 0.27Ca 41 0.0000 0.0000 0.0000 4.74 0.07Ca 5 0.6667 0.3333 0.3733 2.18 1.0Ca 6 0.6667 0.3333 0.0635 4.03 0.37Ca 61 0.6667 0.3333 0.1339 4.03 0.25Ca 1 0.5030 0.5030 0.0000 3.71 0.42Ca 11 0.4500 0.5440 0.0150 3.71 0.14Ca 2 0.7815 0.5649 0.5960 2.28 0.91Ca 3 0.4909 0.5140 0.3017 3.13 0.66Ca 4 0.5015 0.5015 0.5000 2.24 0.81Ca 5 0.8490 0.6967 0.8973 3.24 0.29Ca 51 0.8060 0.5860 0.9164 3.24 0.12Ca 52 0.8730 0.7600 0.8870 3.24 0.15Ca 53 0.8290 0.6500 0.9030 3.24 0.11Ca 6 0.8340 0.6655 0.2001 2.68 0.33Ca 61 0.7720 0.5560 0.2169 2.68 0.15Ca 62 0.8730 0.7260 0.1849 2.68 0.13Ca 63 0.7950 0.6050 0.2139 2.68 0.12O 21 0.6170 0.3200 0.9054 9.47 1.0O 22 0.3750 0.6030 0.0207 12.63 1.0O 23 0.4880 0.7360 0.0760 12.63 1.0O 24 0.4010 0.7860 0.7078 7.90 1.0O 25 0.7300 0.4700 0.2250 5.53 1.0O 26 0.7280 0.3990 0.2290 9.47 1.0O 27 0.0460 0.1260 0.1310 6.32 1.0O 28 0.1130 0.0780 0.1840 14.21 1.0O 29 0.0450 0.0420 0.1130 10.26 1.0O 30 0.3333 0.6667 0.2650 7.34 1.0O 31 0.3960 0.7890 0.3390 4.18 1.0O 32 0.3333 0.6667 0.5433 4.58 1.0O 33 0.3970 0.7910 0.4698 3.32 1.0

The Ca cation sites are believed to be mixed with Na and K.The Ca occupancies are adjusted in order to simulate the effective scatteringfrom the site.

GISGismondine

REFINED COMPOSITION: |Ca3.68(H2O)17.28| [Si8.8Al7.2O32]Hohenberg, Buhne, Westfalia

CRYSTAL DATA: P11 21/a (No. 14; unique axis c, cell choice 1)a = 9.843 A b = 10.023 A c = 10.616 Aα = 90◦ β = 90◦ γ = 92.417◦


REFERENCE: K. F. Fischer and V. Schramm,In Molecular Sieve Zeolites - I (ACS Adv. Chem. Ser. No. 101 ),Ed. by E. M. Flanigen and L. B. Sand(American Chemical Society: Washington, DC) 250–258 (1971).

Atom x y z Biso occ

Ca 0.3537 0.7192 0.0764 1.39 0.92Si 1 0.18142 0.4147 0.11288 0.55 1.0Si 2 0.16038 0.9082 0.87012 0.48 1.0Si 3 0.16921 0.09656 0.11329 0.32 0.2Al 1 0.16921 0.09656 0.11329 0.32 0.8Al 2 0.149 0.59053 0.8669 0.52 1.0O 1 0.9996 0.0787 0.1562 1.74 1.0O 2 0.2125 0.2624 0.0763 1.85 1.0O 3 0.0254 0.4361 0.1485 0.99 1.0O 4 0.3037 0.245 0.4027 1.48 1.0O 5 0.2136 0.9994 0.9861 0.85 1.0O 6 0.2595 0.0449 0.2437 0.82 1.0O 7 0.2777 0.4645 0.2288 0.91 1.0O 8 0.2253 0.5107 0.9944 1.21 1.0H2O 1 0.5023 0.2596 0.1048 2.22 0.88H2O 2 0.5410 0.5914 0.1262 3.62 1.0H2O 3 0.5020 0.9113 0.1174 2.13 0.95H2O 4 0.2306 0.7732 0.2369 7.72 0.61H2O 5 0.4028 0.7407 0.3180 4.11 0.48H2O 6 0.1326 0.7620 0.1794 17.25 0.4

GIS Amicite

REFINED COMPOSITION: |Na3.6K3.76(H2O)9.86| [Si8Al8O32]Hoewenneg, Hegau, Germany

CRYSTAL DATA: I121 (No. 5; unique axis b, cell choice 3)a = 10.226 A b = 10.422 A c = 9.884 Aα = 90◦ β = 88.315◦ γ = 90◦


REFERENCE: A. Alberti and G. Vezzalini,Acta Cryst. B35 2866–2869 (1979).

Atom x y z Biso occ

Na 0.4312 0.2559 0.6716 2.53 0.9K 0.3071 -0.0040 0.9692 2.09 0.94Si 1 0.1523 -0.0133 0.3261 0.46 1.0Si 2 0.1534 0.2615 0.8263 0.40 1.0Al 1 0.1546 0.2491 0.1546 0.43 1.0Al 2 0.1582 0.0027 0.6512 0.44 1.0O 1 0.0010 -0.0471 0.3037 1.21 1.0O 2 -0.0030 0.2956 0.2047 1.14 1.0O 3 0.2031 0.1401 0.7354 0.96 1.0O 4 0.1810 0.0304 0.4785 1.18 1.0O 5 0.1712 0.2264 0.9833 1.13 1.0O 6 0.1989 0.1018 0.2263 1.00 1.0O 7 0.2620 0.3610 0.2184 1.09 1.0O 8 0.7558 0.3812 0.2177 0.73 1.0H2O 1 0.3435 0.2507 0.4539 2.65 0.85H2O 2 0.4779 0.0682 0.2179 2.76 0.85H2O 3 0.0 0.3191 0.5 2.70 1.0H2O 4 0.5 0.4729 0.5 2.35 0.53

GISGarronite

REFINED COMPOSITION: |Na0.8Ca2.82(H2O)12.08| [Si10.4Al5.6O32]Goble, Oregon, U.S.A.


X-ray Rietveld refinement, Rexp = 0.047, Rwp = 0.127, RF2 = 0.111

REFERENCE: G. Artioli,American Mineralogist 77 189–196 (1992).

Atom x y z Biso occ

Na 0.0 0.281 0.223 6.32 0.10Ca 1 0.0 0.352 0.094 8.69 0.197Ca 2 0.0 0.238 0.107 8.69 0.155Si 1 0.1607 0.1607 0.5 3.08 0.65Si 2 0.3421 0.1579 0.25 4.03 0.65Al 1 0.1607 0.1607 0.5 3.08 0.35Al 2 0.3421 0.1579 0.25 4.03 0.35O 11 0.1746 0.0 0.5351 2.68 1.0O 12 0.3078 0.0 0.2192 2.53 1.0O 2 0.2922 0.2488 0.1244 6.71 1.0H2O 1 0.0 0.0 0.159 9.24 1.0H2O 21 0.105 0.395 0.25 2.05 0.14H2O 22 0.161 0.433 0.234 2.05 0.24H2O 3 0.0 0.173 0.981 16.58 0.39

GIS Gobbinsite

REFINED COMPOSITION: |Na2.6K1.7(H2O)14.9| [Si10Al6O32]Antrim District, Northern Ireland



REFERENCE: L. B. McCusker and Ch. Baerlocher,Z. Kristallogr. 171 281–289 (1985).

Atom x y z Biso occ

Na 0.247 0.228 0.284 9.16 0.65K 0.500 -0.071 0.615 9.16 0.85Si 1 0.156 0.432 -0.191 2.05 0.625Si 2 0.154 0.110 -0.242 2.05 0.625Si 3 0.345 0.073 0.000 2.05 0.625Si 4 0.348 0.389 0.048 2.05 0.625Al 1 0.156 0.432 -0.191 2.05 0.375Al 2 0.154 0.110 -0.242 2.05 0.375Al 3 0.345 0.073 0.000 2.05 0.375Al 4 0.348 0.389 0.048 2.05 0.375O 1 0.186 0.275 -0.241 1.82 1.0O 2 0.000 0.441 -0.162 1.82 1.0O 3 0.200 0.538 -0.309 1.82 1.0O 4 0.254 0.459 -0.061 1.82 1.0O 5 0.000 0.074 -0.197 1.82 1.0O 6 0.198 0.048 -0.394 1.82 1.0O 7 0.254 0.046 -0.138 1.82 1.0O 8 0.312 0.226 0.059 1.82 1.0O 9 0.500 0.073 -0.026 1.82 1.0O 10 0.500 0.414 0.009 1.82 1.0H2O 1 0.500 0.243 0.321 9.16 1.1H2O 2 0.000 0.395 0.146 9.16 1.45H2O 3 0.000 0.314 0.306 9.16 0.9H2O 4 0.341 0.271 0.559 9.16 1.275H2O 5 0.500 0.338 0.600 9.16 1.45

GISDi-n-propylamine MAPO–43


CRYSTAL DATA: I11 2/b (No. 15; unique axis c, cell choice 3)a = 10.2192 A b = 10.2198 A c = 10.0126 Aα = 90◦ β = 90◦ γ = 90.987◦


REFERENCE: J. J. Pluth, J. V. Smith and J. M. Bennett,J. Am. Chem. Soc. 111 1692–1698 (1989).

Atom x y z Biso occ

Al 0.14938 0.10057 0.12505 1.76 1.0P 0.34269 0.09267 0.37490 1.72 1.0O 1 0.1756 0.2667 0.0794 3.36 1.0O 2 0.4833 0.0742 0.3297 3.37 1.0O 3 0.2514 0.0604 0.2608 4.07 1.0O 4 0.3101 0.0016 0.4896 4.07 1.0N 1 0.001 -0.018 0.434 1.11 0.125H 1 -0.077 -0.007 0.384 1.11 0.125H 2 0.075 -0.001 0.378 1.11 0.125C 1 0.009 -0.391 0.418 1.11 0.125H 3 0.007 -0.451 0.345 1.11 0.125H 4 -0.065 -0.408 0.474 1.11 0.125H 5 0.087 -0.402 0.469 1.11 0.125C 2 0.04 -0.250 0.366 1.03 0.125H 6 0.078 -0.233 0.310 1.03 0.125H 7 -0.074 -0.239 0.366 1.03 0.125C 3 0.006 -0.154 0.484 3.24 0.125H 8 0.084 -0.165 0.534 3.24 0.125H 9 -0.068 -0.170 0.540 3.24 0.125C 4 0.004 0.075 0.547 11.05 0.125H 10 -0.070 0.058 0.603 11.05 0.125H 11 0.082 0.063 0.597 11.05 0.125C 5 -0.001 0.216 0.495 3.24 0.125H 12 0.073 0.233 0.439 3.24 0.125H 13 -0.079 0.227 0.445 3.24 0.125C 6 0.001 0.312 0.613 10.26 0.125H 14 -0.002 0.400 0.581 10.26 0.125H 15 0.079 0.301 0.663 10.26 0.125H 16 -0.073 0.295 0.669 10.26 0.125N 2 0.232 0.754 0.319 11.05 0.125H 17 0.246 0.679 0.373 11.05 0.125H 18 0.247 0.831 0.370 11.05 0.125C 7 -0.141 0.765 0.332 11.05 0.125H 19 -0.200 0.771 0.405 11.05 0.125H 20 -0.160 0.689 0.282 11.05 0.125H 21 -0.150 0.840 0.277 11.05 0.125C 8 0.000 0.760 0.386 12.63 0.125H 22 0.009 0.685 0.441 12.63 0.125H 23 0.019 0.837 0.436 12.63 0.125C 9 0.097 0.752 0.268 3.08 0.125

continued . . .

GIS Di-n-propylamine MAPO–43


Atom x y z Biso occ

H 24 0.085 0.824 0.210 3.08 0.125H 25 0.081 0.672 0.220 3.08 0.125C 10 0.325 0.754 0.205 11.05 0.125H 26 0.307 0.679 0.150 11.05 0.125H 27 0.315 0.831 0.154 11.05 0.125C 11 0.466 0.748 0.258 3.08 0.125H 28 0.482 0.819 0.317 3.08 0.125H 29 0.478 0.668 0.304 3.08 0.125C 12 0.563 0.756 0.140 12.63 0.125H 30 0.650 0.753 0.173 12.63 0.125H 31 0.551 0.836 0.094 12.63 0.125H 32 0.547 0.685 0.081 12.63 0.125

The x-coordinate for C2 has been changed from 0.004 to 0.04.Otherwise, C2 is too close to (0 -1/4 z).

GISNa-P1



X-ray twinned crystal refinement, R = 0.05

REFERENCE: Ch. Baerlocher and W. M. Meier,Z. Kristallogr. 135 339–354 (1972).

Atom x y z Biso occ

Na 4 0.0140 0.1895 0.4940 4.4 0.32Na 5 0.3590 0.0825 0.2210 4.0 0.42Si 1 0.1438 0.1692 -0.0181 1.1 0.62Si 2 0.1683 0.3579 0.2329 0.9 0.62Al 1 0.1438 0.1692 -0.0181 1.1 0.38Al 2 0.1683 0.3579 0.2329 0.9 0.38O 1 0.1890 0.0215 0.0410 0.5 1.0O 2 0.1885 0.2895 0.0880 1.3 1.0O 3 0.0090 0.3460 0.2985 2.5 1.0O 4 0.2830 0.2845 0.3300 2.8 1.0H2O 1 0.0 0.0 0.3250 5.9 0.42H2O 2 0.2195 0.0240 0.3515 2.6 0.70H2O 3 0.2930 0.0020 0.3520 4.0 0.50

GIU Giuseppettite

REFINED COMPOSITION: |Na42.56K16.14Ca5.3(SO4)12Cl8F0.05(H2O)10| [Si48.0Al48.0O192.0]Sacrofano, Biachella Valley, Latium, Italy.



REFERENCE: E. Bonaccorsi,Microporous and Mesoporous Materials 73 129–136 (2004).

Atom x y z Biso occ

Si 1 0.2527 0.001 -0.0229 1.26 1.0Si 2 0.4149 0.0846 -0.7732 1.18 1.0Si 3 -0.5829 -0.6642 -0.0856 1.34 1.0Si 4 -0.5851 -0.6673 0.5398 1.34 1.0Si 5 0.4135 0.0856 0.1025 1.50 1.0Si 6 0.4145 0.0836 -0.6484 1.50 1.0Si 7 -0.5862 -0.6676 -0.2103 1.26 1.0Si 8 -0.586 -0.6678 0.6647 1.26 1.0Al 1 -0.2528 0.0005 -0.0229 1.66 1.0Al 2 -0.4157 -0.0745 0.7268 1.66 1.0Al 3 0.5842 0.6656 0.0408 1.74 1.0Al 4 0.5876 0.6699 -0.5854 1.74 1.0Al 5 -0.4164 -0.0756 -0.1482 1.34 1.0Al 6 -0.4176 -0.0751 0.6025 1.34 1.0Al 7 0.5849 0.6621 0.1653 1.50 1.0Al 8 0.5857 0.6623 -0.7103 1.50 1.0O 1 0.4058 0.2077 0.2217 2.84 1.0O 2 0.4342 0.5526 0.1623 2.45 1.0O 3 -0.4473 -0.5663 -0.2123 2.45 1.0O 4 0.341 -0.013 0.0756 3.32 1.0O 5 -0.353 -0.011 -0.1133 3.24 1.0O 6 -0.344 0.012 0.5711 3.24 1.0O 7 0.357 0.033 -0.6118 3.32 1.0O 8 0.453 0.539 0.0323 4.26 1.0O 9 -0.448 -0.551 -0.0811 4.26 1.0O 10 0.553 0.1213 0.1025 2.45 1.0O 11 -0.5711 -0.1257 -0.1499 2.45 1.0O 12 0.1264 -0.1163 -0.031 3.47 1.0O 13 -0.115 0.111 -0.0204 3.47 1.0O 14 0.4012 0.203 0.0985 3.47 1.0O 15 -0.4089 -0.2039 -0.1506 3.47 1.0O 16 0.557 0.1241 0.2261 2.84 1.0O 17 0.303 -0.011 0.0131 3.79 1.0O 18 -0.322 0.013 -0.0536 4.11 1.0O 19 -0.314 0.011 0.5113 4.11 1.0O 20 0.335 -0.021 -0.5472 3.79 1.0O 21 0.5969 0.7996 0.1629 3.79 1.0O 22 0.4065 0.2054 0.7874 3.79 1.0O 23 0.677 0.644 0.1377 3.79 1.0

continued . . .

GIUGiuseppettite


Atom x y z Biso occ

O 24 -0.652 -0.664 -0.1784 3.40 1.0O 25 -0.662 -0.651 0.6371 3.40 1.0O 26 0.653 0.67 -0.6729 3.79 1.0O 27 0.645 0.663 0.2019 2.68 1.0O 28 -0.661 -0.658 -0.2387 4.34 1.0O 29 -0.65 -0.661 0.6964 4.34 1.0O 30 0.676 0.642 -0.7374 2.68 1.0O 31 0.562 0.7837 0.042 5.05 1.0O 32 -0.569 -0.78 -0.0912 5.05 1.0S 1 0.0 0.0 0.0557 5.13 1.0O 1 0.0 0.0 0.0245 7.97 1.0O 1 -0.058 -0.122 0.0669 6.55 1.0S 2 0.0 0.0 0.6684 4.50 1.0O 2 0.034 0.084 0.641 5.53 0.333O 2 -0.117 -0.058 0.678 10.03 1.0S 3 0.0 0.0 -0.7118 5.05 1.0O 3 0.955 0.879 -0.6953 4.42 0.333O 3 0.11 0.048 -0.7361 6.47 1.0S 4 0.0 0.0 -0.1013 4.58 1.0O 4 0.079 0.067 -0.071 11.05 0.333O 4 0.076 0.129 -0.1161 13.42 1.0Cl 5 0.628 0.333 0.0064 8.69 1.0S 5 0.666667 0.333333 0.024 11.05 1.0O 5 0.604 0.278 -0.009 0.79 0.333O 5 0.531 0.265 0.0301 2.13 1.0Cl 6 0.333333 0.666667 -0.076 14.21 1.0S 6 0.333333 0.666667 -0.057 7.19 1.0O 6 0.398 0.786 -0.0341 5.53 0.333O 6 0.271 0.541 -0.072 8.69 1.0Ca 11 0.0 0.0 -0.0187 1.89 0.325Na 11 0.0 0.0 -0.0187 1.89 0.175Ca 12 0.0 0.0 -0.034 1.89 0.325Na 12 0.0 0.0 -0.034 1.89 0.175K 1 0.115 -0.1158 0.1072 3.55 0.74Na 1 0.115 -0.1158 0.1072 3.55 0.26K 2 0.7709 0.8844 0.2287 3.71 1.0K 3 -0.7695 -0.8851 -0.1503 5.21 0.95Na 3 -0.7695 -0.8851 -0.1503 5.21 0.05Na 1 -0.3104 -0.1545 0.5433 2.92 1.0Na 2 0.8475 0.6912 0.1679 2.92 1.0Na 3 0.849 0.6906 -0.7082 2.68 1.0Na 41 0.316 0.159 -0.5865 3.47 0.167Ca 41 0.316 0.159 -0.5865 3.47 0.333Na 42 0.397 0.203 -0.5778 3.47 0.167Ca 42 0.397 0.203 -0.5778 3.47 0.333Na 51 0.666667 0.333333 0.2198 2.92 0.5Na 52 0.666667 0.333333 0.2095 2.92 0.5Na 6 0.666667 0.333333 0.0852 5.68 1.0Na 71 0.333333 0.666667 -0.1318 2.21 0.5Na 72 0.333333 0.666667 -0.1527 2.21 0.5

continued . . .

GIU Giuseppettite


Atom x y z Biso occ

Na 8 0.666667 0.333333 -0.2234 3.95 1.0Na 91 0.666667 0.333333 -0.0616 2.84 0.6Na 92 0.666667 0.333333 -0.092 2.84 0.4Na 11 0.333333 0.666667 0.1487 3.32 0.6Na 12 0.333333 0.666667 0.1575 3.32 0.4Na 21 0.498 0.506 0.9762 1.89 0.5Na 22 0.536 0.464 0.9841 1.89 0.5Na 31 0.333333 0.666667 0.0234 3.00 0.6Na 32 0.333333 0.666667 0.0066 3.00 0.4H2O 1 0.666667 0.333333 -0.147 7.90 1.0H2O 2 0.333333 0.666667 0.103 7.90 1.0H2O 3 0.666667 0.333333 -0.278 7.90 1.0H2O 4 0.666667 0.333333 0.293 7.90 1.0H2O 5 0.333333 0.666667 -0.339 7.90 1.0

Member of the ABC-6 family, with stacking sequence is ABABABACBABABABC. . . ,where A, B, and C represent the positions of the rings within the layers.

GMEGmelinite

REFINED COMPOSITION: |Ca4(H2O)26.4| [Si16Al8O48]Nova Scotia, Canada



REFERENCE: K. Fischer,Neues Jahrbuch fur Mineralogie Monatshefte 1 1–13 (1966).

Atom x y z Biso occ

Ca 0.3333 0.6667 0.073 6.0 1.0Si 0.441 0.106 0.093 0.9 0.6667Al 0.441 0.106 0.093 0.9 0.3333O 1 -0.202 -0.404 0.063 2.0 1.0O 2 0.575 0.150 0.064 2.3 1.0O 3 0.411 0.067 0.250 2.3 1.0O 4 0.354 0.0 0.0 2.3 1.0H2O 1 0.20 0.54 0.2500 3.5 0.25H2O 2 0.22 0.44 0.99 9.0 0.5H2O 3 0.43 0.86 0.97 9.0 0.5H2O 4 0.17 0.34 0.2500 5.0 0.5H2O 5 0.08 0.16 0.89 4.0 0.5H2O 6 0.10 0.20 0.06 6.5 0.2

GON GUS-1


CRYSTAL DATA: C222 (No. 21)a = 16.4206 A b = 20.0540 A c = 5.0464 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦

X-ray powder diffraction.

REFERENCE: J. Plevert, Y. Kubota, T. Honda, T. Okubo and Y. Sugi,J. Chem. Soc., Chem. Commun. 2363–2364 (2000).

Atom x y z Biso occ

Si 1 0.3074 0.1879 0.478 1.97 1.0Si 2 0.1818 0.0767 0.527 1.97 1.0Si 3 0.0937 0.1222 0.016 1.97 1.0Si 4 0.0964 0.2819 -0.002 1.97 1.0O 1 0.3549 0.1874 0.754 2.37 1.0O 2 0.384 0.2092 0.307 2.37 1.0O 3 0.25 0.25 0.522 2.37 1.0O 4 0.2644 0.1170 0.477 2.37 1.0O 5 0.1537 0.0785 0.834 2.37 1.0O 6 0.212 0.0 0.5 2.37 1.0O 7 0.1151 0.1023 0.317 2.37 1.0O 8 0.0 0.1006 0.0 2.37 1.0O 9 0.1021 0.2021 -0.013 2.37 1.0O 10 0.0 0.297 0.0 2.37 1.0

GOOGoosecreekite

REFINED COMPOSITION: |Ca2(H2O)10| [Si12Al4O32]Loudon County, Virginia, U.S.A.




Atom x y z Biso occ

Ca 0.6557 0.2721 0.1969 1.78 1.0Si 1 0.3374 0.4732 0.6282 1.18 1.0Si 2 0.3168 0.1294 0.5997 1.12 1.0Si 3 0.0219 0.2599 0.5249 1.03 1.0Si 4 0.1044 0.0578 0.8612 1.08 1.0Si 5 0.0892 0.3877 0.8325 1.07 1.0Si 6 0.2394 0.0045 0.2768 1.06 1.0Al 1 0.7482 0.1285 0.5887 1.0 1.0Al 2 0.0682 0.3982 0.2632 1.02 1.0O 1 0.7228 0.0612 0.4105 2.0 1.0O 2 0.5336 0.1478 0.6346 1.87 1.0O 3 0.8372 0.2097 0.5064 1.33 1.0O 4 0.9065 0.1001 0.7936 1.78 1.0O 5 0.2607 0.4392 0.8023 1.77 1.0O 6 0.2666 0.4226 0.4408 1.51 1.0O 7 0.5594 0.4662 0.7062 2.12 1.0O 8 0.2017 0.2065 0.5155 1.6 1.0O 9 0.2657 0.1069 0.7949 1.65 1.0O 10 0.2515 0.0596 0.4581 1.86 1.0O 11 0.0811 0.3051 0.7261 1.68 1.0O 12 0.9698 0.3179 0.3431 1.58 1.0O 13 0.9052 0.4718 0.2174 2.09 1.0O 14 0.1728 0.0585 0.0904 1.98 1.0O 15 0.1202 0.3741 0.0505 1.91 1.0O 16 0.9022 0.4346 0.7315 2.06 1.0H2O 1 0.3512 0.2234 0.0964 4.83 1.0H2O 2 0.6565 0.2989 0.8717 4.81 1.0H2O 3 0.5102 0.3063 0.4504 3.5 1.0H2O 4 0.7574 0.1530 0.1048 3.92 1.0H2O 5 0.5650 0.4074 0.1595 3.73 1.0

HEU Heulandite

REFINED COMPOSITION: |K8.48(H2O)18| [Si26.64Al9.36O72]Mossyrock Dam, Washington, U.S.A.



REFERENCE: E. Galli, G. Gottardi, H. Mayer, A. Preisinger and E. Passaglia,Acta Cryst. B39 189–197 (1983).

Atom x y z Biso occ

K 1 0.079 0.0 0.281 19.1 0.34K 2 0.071 0.0 0.110 10.6 0.36K 3 0.241 0.500 0.061 3.4 0.74K 4 0.210 0.500 -0.033 4.6 0.19K 5 0.032 0.500 0.190 9.6 0.49Si 1 0.1794 0.1686 0.0978 1.0 0.74Si 2 0.2146 0.4108 0.5063 1.1 0.74Si 3 0.2083 0.1912 0.7161 1.0 0.74Si 4 0.0668 0.2983 0.4176 1.1 0.74Si 5 0.0 0.2173 0.0 1.3 0.74Al 1 0.1794 0.1686 0.0978 1.0 0.26Al 2 0.2146 0.4108 0.5063 1.1 0.26Al 3 0.2083 0.1912 0.7161 1.0 0.26Al 4 0.0668 0.2983 0.4176 1.1 0.26Al 5 0.0 0.2173 0.0 1.3 0.26O 1 0.1981 0.5000 0.4565 2.3 1.0O 2 0.2330 0.1213 0.6144 2.7 1.0O 3 0.1882 0.1535 0.8902 3.0 1.0O 4 0.2304 0.1008 0.2473 2.5 1.0O 5 0.0 0.3257 0.5000 3.2 1.0O 6 0.0805 0.1614 0.0499 2.6 1.0O 7 0.1226 0.2296 0.5515 3.2 1.0O 8 0.0142 0.2709 0.1891 3.4 1.0O 9 0.2153 0.2492 0.1928 2.4 1.0O 10 0.1208 0.3708 0.4225 2.8 1.0H2O 1 0.408 0.092 0.049 9.7 1.0H2O 2 0.008 0.099 0.414 8.0 0.5H2O 3 0.365 0.500 0.334 6.7 0.45H2O 4 0.419 0.500 0.207 10.3 0.55H2O 5 0.0 0.500 0.500 10.9 1.0

HEUClinoptilolite

REFINED COMPOSITION: |Na1.84K1.76Mg0.2Ca1.24(H2O)21.36| [Si29.84Al6.16O72]Agoura, California, U.S.A.



REFERENCE: K. Koyama and Y. Takeuchi,Z. Kristallogr. 145 216–239 (1977).

Atom x y z Biso occ

Na 1 0.1428 0.0 0.667 5.49 0.36Na 2 0.0393 0.5 0.210 3.13 0.10K 0.2413 0.5 0.049 5.1 0.44Mg 0.0 0.0 0.5 1.1 0.10Ca 1 0.1428 0.0 0.667 5.49 0.06Ca 2 0.0393 0.5 0.210 3.13 0.25Si 1 0.17906 0.16943 0.0963 1.07 0.83Si 2 0.21334 0.41099 0.5040 1.1 0.69Si 3 0.20846 0.19034 0.7153 1.01 0.87Si 4 0.06623 0.29837 0.4148 1.09 0.89Si 5 0.0 0.21651 0.0 1.11 0.9Al 1 0.17906 0.16943 0.0963 1.07 0.17Al 2 0.21334 0.41099 0.5040 1.1 0.31Al 3 0.20846 0.19034 0.7153 1.01 0.13Al 4 0.06623 0.29837 0.4148 1.09 0.11Al 5 0.0 0.21651 0.0 1.11 0.1O 1 0.1959 0.5 0.4574 2.39 1.0O 2 0.2336 0.1204 0.6144 2.47 1.0O 3 0.1850 0.1551 0.8559 2.64 1.0O 4 0.2333 0.1041 0.2509 2.37 1.0O 5 0.0 0.3232 0.5 2.64 1.0O 6 0.0808 0.1627 0.0555 1.96 1.0O 7 0.1268 0.2317 0.5492 3.05 1.0O 8 0.0122 0.2702 0.1856 2.48 1.0O 9 0.2123 0.2520 0.1860 2.31 1.0O 10 0.1188 0.3718 0.4148 2.42 1.0H2O 1 0.211 0.500 -0.033 6.2 0.38H2O 2 0.084 0.0 0.888 14.6 0.44H2O 3 0.0777 0.4206 0.964 9.5 1.0H2O 4 0.0 0.5 0.5 7.4 1.0H2O 5 0.0 0.095 0.5 22.1 0.76H2O 6 0.073 0.0 0.249 19.1 0.84H2O 7 0.096 0.0 0.756 10.2 0.42

IFR ITQ-4, Calcined


CRYSTAL DATA: I1 2/m 1 (No. 12; unique axis b, cell choice 3)a = 18.65243 A b = 13.49597 A c = 7.63109 Aα = 90.0◦ β = 101.9781◦ γ = 90.0◦

X-ray Rietveld refinement, Rwp = 0.0767, Rp = 0.0558, Rb = 0.0644

REFERENCE: P. A. Barrett, M. A. Camblor, A. Corma, R. H. Jones andL. A. Villaescusa, Chemistry of Materials 9 1713–1715 (1997).

Atom x y z Biso occ

Si 1 -0.01265 0.11371 0.2918 1.60 1.0Si 2 0.249813 0.11336 0.6215 1.78 1.0Si 3 0.14687 0.11588 0.2469 1.38 1.0Si 4 0.16169 0.20243 -0.1058 1.84 1.0O 5 0.31979 0.17940 0.6417 1.30 1.0O 6 -0.07340 0.18435 0.1910 1.30 1.0O 7 0.0 0.12865 0.5 1.30 1.0O 8 0.06025 0.13926 0.2230 1.30 1.0O 9 0.15762 0.0 0.2024 1.30 1.0O 10 0.18823 0.13830 0.4442 1.30 1.0O 11 -0.03438 0.0 0.2395 1.30 1.0O 12 0.21031 0.13257 0.7932 1.30 1.0O 13 0.27006 0.0 0.6233 1.30 1.0O 14 0.17722 0.17880 0.0971 1.30 1.0

IHWITQ-32


CRYSTAL DATA: Cmca (No. 64)a = 13.6988 A b = 24.0665 A c = 18.1968 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: A. Cantin, A. Corma, S. Leiva, F. Rey, J. Rius and S. Valencia,J. Am. Chem. Soc. 127 11560–11561 (2005).

Atom x y z Biso occ

Si 1 0.6180 0.4716 0.4246 1.70 1.0Si 2 0.6828 0.5650 0.3182 1.70 1.0Si 3 0.7896 0.6549 0.4144 1.70 1.0Si 4 0.6939 0.6486 0.5655 1.70 1.0Si 5 0.7148 0.7619 0.3319 1.70 1.0Si 6 0.5000 0.7135 0.5365 1.70 1.0Si 7 0.5000 0.7412 0.3736 1.70 1.0Si 8 0.5000 0.6377 0.2844 1.70 1.0Si 9 0.0000 0.6805 0.3713 1.70 1.0O 1 0.6433 0.5000 0.5000 1.70 1.0O 2 0.5000 0.4590 0.4262 1.70 1.0O 3 0.6423 0.5109 0.3568 1.70 1.0O 4 0.6805 0.4145 0.4134 1.70 1.0O 5 0.7500 0.5495 0.2500 1.70 1.0O 6 0.7423 0.6056 0.3702 1.70 1.0O 7 0.5919 0.5983 0.2863 1.70 1.0O 8 0.7669 0.6526 0.4991 1.70 1.0O 9 0.7460 0.7105 0.3832 1.70 1.0O 10 0.9070 0.6497 0.4025 1.70 1.0O 11 0.7371 0.6812 0.6358 1.70 1.0O 12 0.5936 0.6760 0.5384 1.70 1.0O 13 0.7500 0.7581 0.2500 1.70 1.0O 14 0.5971 0.7675 0.3396 1.70 1.0O 15 0.5000 0.7494 0.4614 1.70 1.0O 16 0.5000 0.7560 0.6050 1.70 1.0O 17 0.5000 0.6762 0.3588 1.70 1.0O 18 0.5000 0.6797 0.2166 1.70 1.0

IMF Calcined IM-5



X-ray Rietveld refinement, RF = 0.075, wRp = 0.188

REFERENCE: Ch. Baerlocher, F. Gramm, L. Massuger, L. B. McCusker, Z. He,S. Hovmoller, X. Zou, Science 315 1113–1116 (2007).

Atom x y z Biso occ

Si 1 0.5000 0.4182 0.5574 1.09 1.0Si 2 0.5000 0.3847 0.6709 1.09 1.0Si 3 0.5000 0.2871 0.6732 1.09 1.0Si 4 0.5000 0.2530 0.9424 1.09 1.0Si 5 0.5000 0.0954 0.6269 1.09 1.0Si 6 0.5000 0.0411 0.6195 1.09 1.0Si 7 0.1991 0.0630 0.0315 1.09 1.0Si 8 0.1933 0.1372 0.1704 1.09 1.0Si 9 0.1859 0.1897 0.1244 1.09 1.0Si 10 0.2025 0.2647 0.0596 1.09 1.0Si 11 0.2035 0.3910 0.1735 1.09 1.0Si 12 0.1897 0.4812 0.1704 1.09 1.0Si 13 0.3137 0.0180 0.0613 1.09 1.0Si 14 0.2947 0.1082 0.0672 1.09 1.0Si 15 0.2920 0.2349 0.1709 1.09 1.0Si 16 0.3080 0.3114 0.0349 1.09 1.0Si 17 0.2971 0.3627 0.0555 1.09 1.0Si 18 0.3037 0.4364 0.1280 1.09 1.0Si 19 0.5000 0.0425 0.0397 1.09 1.0Si 20 0.5000 0.0963 0.0329 1.09 1.0Si 21 0.5000 0.2544 0.1753 1.09 1.0Si 22 0.5000 0.2912 0.4411 1.09 1.0Si 23 0.5000 0.3795 0.0571 1.09 1.0Si 24 0.5000 0.4175 0.1710 1.09 1.0O 1 0.5907 0.4341 0.550 1.26 1.0O 2 0.5000 0.3966 0.507 1.26 1.0O 3 0.5000 0.4091 0.633 1.26 1.0O 4 0.4100 0.3704 0.648 1.26 1.0O 5 0.5000 0.3894 0.7500 1.26 1.0O 6 0.5000 0.2799 0.7500 1.26 1.0O 7 0.5891 0.3026 0.657 1.26 1.0O 8 0.5000 0.2634 0.632 1.26 1.0O 9 0.5000 0.2743 0.995 1.26 1.0O 10 0.5908 0.2368 0.949 1.26 1.0O 11 0.5000 0.0679 0.641 1.26 1.0O 12 0.4078 0.1076 0.658 1.26 1.0O 13 0.5000 0.0988 0.5472 1.26 1.0O 14 0.5000 0.0384 0.5397 1.26 1.0O 15 0.5891 0.0286 0.650 1.26 1.0O 16 0.234 0.0373 0.049 1.26 1.0

continued . . .

IMFCalcined IM-5


Atom x y z Biso occ

O 17 0.208 0.0672 0.9520 1.26 1.0O 18 0.262 0.0814 0.071 1.26 1.0O 19 0.215 0.1640 0.150 1.26 1.0O 20 0.268 0.1194 0.1381 1.26 1.0O 21 0.199 0.1338 0.2500 1.26 1.0O 22 0.262 0.2093 0.143 1.26 1.0O 23 0.175 0.1889 0.0445 1.26 1.0O 24 0.237 0.2913 0.057 1.26 1.0O 25 0.2500 0.2500 0.0 1.26 1.0O 26 0.232 0.2543 0.1312 1.26 1.0O 27 0.221 0.3826 0.2500 1.26 1.0O 28 0.259 0.3738 0.1240 1.26 1.0O 29 0.243 0.4169 0.164 1.26 1.0O 30 0.265 0.4616 0.150 1.26 1.0O 31 0.211 0.5046 0.1294 1.26 1.0O 32 0.192 0.4866 0.2500 1.26 1.0O 33 0.4103 0.0312 0.073 1.26 1.0O 34 0.323 0.0 0.0 1.26 1.0O 35 0.4072 0.1087 0.061 1.26 1.0O 36 0.245 0.1231 1.008 1.26 1.0O 37 0.4050 0.2394 0.163 1.26 1.0O 38 0.265 0.2365 0.2500 1.26 1.0O 39 0.4094 0.3074 0.066 1.26 1.0O 40 0.264 0.3360 0.056 1.26 1.0O 41 0.4096 0.3632 0.055 1.26 1.0O 42 0.4105 0.4327 0.151 1.26 1.0O 43 0.5000 0.0697 0.056 1.26 1.0O 44 0.5000 0.2645 0.2500 1.26 1.0O 45 0.5000 0.2761 0.126 1.26 1.0O 46 0.5000 0.3943 0.126 1.26 1.0O 47 0.5000 0.4110 0.2500 1.26 1.0

ISV ITQ–7, Siliceous, Calcined


CRYSTAL DATA: P 42/m mc (No. 131)a = 12.8528 A b = 12.8528 A c = 25.2136 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦

X-ray Rietveld refinement, Rp = 0.0827, Rwp = 0.1076, Rb = 0.0.0626

REFERENCE: L. A. Villaescusa, P. A. Barrett and M. A. Camblor,Angew. Chem., Int. Ed. 38 1997–2000 (1999).

Atom x y z

Si 1 0.1192 0.1146 0.06251Si 2 0.3062 0.2511 0.90459Si 3 0.5 0.1167 0.06146Si 4 0.3822 0.3849 0.18813Si 5 0.3793 0.388 0.0O 1 0.1426 0.1313 0.0O 2 0.1512 0.0 0.0788O 3 0.0 0.1379 0.0742O 4 0.2002 0.1888 0.087O 5 0.3996 0.1685 0.9116O 6 0.3197 0.3334 0.9486O 7 0.3205 0.3027 0.8453O 8 0.5 0.0 0.0759O 9 0.5 0.1373 0.0O 10 0.5 0.3733 0.0O 11 0.3327 0.5 0.0O 12 0.3584 0.3584 0.25O 13 0.5 0.3626 0.1782O 14 0.3552 0.5 0.1725

ITEITQ–3, Calcined




REFERENCE: M.A. Camblor, A. Corma, P. Lightfoot, L.A. Villaescusa and P.A. Wright,Angew. Chem., Int. Ed. 36 2659–2661 (1997).

Atom x y z Biso occ

Si 1 0.32018 -0.0430 0.1701 1.10 1.0Si 2 0.07561 0.4067 0.0561 1.10 1.0Si 3 0.2641 0.2255 0.1121 1.10 1.0Si 4 0.15302 0.1551 0.0036 1.10 1.0O 1 0.3427 -0.0581 0.2500 0.40 1.0O 2 0.2675 -0.1485 0.1491 0.40 1.0O 3 0.0996 0.5000 0.0000 0.40 1.0O 4 0.0978 0.2516 0.0287 0.40 1.0O 5 0.0000 0.4105 0.0718 0.40 1.0O 6 0.2148 0.1587 0.0569 0.40 1.0O 7 0.3870 -0.0628 0.1288 0.40 1.0O 8 0.2913 0.1093 0.1625 0.40 1.0O 9 0.3275 0.2871 0.0695 0.40 1.0O 10 0.1308 0.0000 0.0000 0.40 1.0

ITH ITQ-13

REFINED COMPOSITION: |C26.04N4F4(H2O)4| [Si56O112]

CRYSTAL DATA: Amm2 (No. 38)a = 12.525 A b = 11.391 A c = 22.053 Aα = 90◦ β = 90◦ γ = 90◦

X-ray Rietveld refinement, RF = 0.0800, wRF2 = 0.2081

REFERENCE: A. Corma, M. Puche, F. Rey, G. Sankar and S. J. Teat,Angew. Chem., Int. Ed. 42 1156–1159 (2003).

Atom x y z Biso occ

Si 1 -0.5 0.3620 0.8598 1.17 1.0Si 2 -0.1211 0.3668 0.7169 1.74 1.0Si 3 -0.3080 0.2481 0.6515 1.71 1.0Si 4 -0.5 0.3612 0.7212 1.27 1.0Si 5 -0.1215 0.3673 0.8552 1.22 1.0Si 6 -0.3063 0.2800 0.4055 2.06 1.0Si 7 -0.3789 0.3654 0.5312 1.97 1.0Si 8 -0.3744 0.5 0.1850 1.45 1.0Si 9 -0.3740 0.5 0.3272 1.93 1.0O 1 -0.3177 0.3857 0.3549 2.8 1.0O 2 -0.3632 0.5 0.5530 2.1 1.0O 3 -0.3114 0.3378 0.4708 2.9 1.0O 4 -0.3979 0.3132 0.6891 3.7 1.0O 5 -0.1503 0.5 0.8730 1.5 1.0O 6 0.0 0.3346 0.8724 1.2 1.0O 7 -0.3159 0.2876 0.5818 3.5 1.0O 8 -0.1917 0.2821 0.6731 2.9 1.0O 9 -0.3204 0.1104 0.6531 3.5 1.0O 10 -0.1526 0.3364 0.7858 1.61 1.0O 11 -0.5 0.3252 0.5327 3.7 1.0O 12 -0.1919 0.2211 0.3964 2.3 1.0O 13 -0.5 0.5 0.8640 2.3 1.0O 14 0.0 0.329 0.6996 2.4 1.0O 15 -0.6038 0.3132 0.8922 3.4 1.0O 16 -0.3573 0.5 0.2525 2.3 1.0O 17 -0.5 0.5 0.7174 2.8 1.0O 18 -0.5 0.3203 0.7903 2.2 1.0O 19 -0.1501 0.5 0.6985 1.7 1.0O 20 -0.5 0.5 0.1715 2.8 1.0O 21 -0.5 0.5 0.3394 2.3 1.0F 1 0.0 0.0 0.2861 1.9 0.4F 2 -0.446 0.439 0.472 5.7 0.4N 1 0.0 0.5 0.4922 3.6 1.0C 1 0.054 0.517 0.4290 3.8 0.283C 2 -0.031 0.50 0.3774 4.6 0.283C 3 0.034 0.485 0.3159 4.2 0.283C 4 -0.045 0.491 0.2621 3.8 0.283C 5 0.018 0.487 0.2010 3.4 0.283C 6 -0.054 0.526 0.1486 3.7 0.283N 2 0.0 0.5 0.0864 4.7 1.0

continued . . .

ITHITQ-13


Atom x y z Biso occ

C 11 0.083 0.544 0.541 5.0 0.283C 12 -0.014 0.365 0.503 2.8 0.283C 13 -0.108 0.561 0.505 3.6 0.283C 21 -0.080 0.536 0.035 5.9 0.283C 22 0.023 0.367 0.081 3.3 0.283C 23 0.103 0.572 0.080 5.8 0.283H2O -0.379 0.135 0.5421 3.3 0.5

Occupancies were not reported. The occupancies of the F, N, C and H2Ospecies have been adjusted to match the known chemical composition.

ITW ITQ-12


CRYSTAL DATA: Cm (No. 8; unique axis b, cell choice 1)a = 10.1725 A b = 15.0432 A c = 8.8345 Aα = 90◦ β = 105.172◦ γ = 90◦


REFERENCE: P. A. Barrett, T. Boix, M. Puche, D. H. Olson, E. Jordan, H. Koller andM. A. Camblor, J. Chem. Soc., Chem. Commun. 2114–2115 (2003).

Atom x y z Biso occ

Si 1 0.6447 0.2437 0.1005 0.98 1.0Si 2 0.6917 0.3969 0.6737 0.98 1.0Si 3 0.6037 0.3961 0.3187 0.98 1.0Si 4 -0.6515 0.2452 -0.1058 0.98 1.0Si 5 -0.6987 0.4013 -0.6583 0.98 1.0Si 6 -0.5934 0.4005 -0.3033 0.98 1.0O 1 0.6324 0.3400 0.1733 0.04 1.0O 2 0.4454 0.3795 0.3095 0.04 1.0O 3 0.6814 0.3856 0.4934 0.04 1.0O 4 0.7537 0.2696 0.0061 0.04 1.0O 5 0.7198 0.5 0.6713 0.04 1.0O 6 0.5008 0.2267 -0.0192 0.04 1.0O 7 0.8093 0.3374 0.7840 0.04 1.0O 8 0.6172 0.5 0.2950 0.04 1.0O 9 -0.8080 0.3384 -0.7778 0.04 1.0O 10 -0.6130 0.5 -0.2495 0.04 1.0O 11 -0.6700 0.3330 -0.2057 0.04 1.0O 12 -0.4336 0.3783 -0.2587 0.04 1.0O 13 -0.6693 0.3742 -0.4777 0.04 1.0O 14 -0.7422 0.5 -0.7358 0.04 1.0

IWRITQ-24

REFINED COMPOSITION: [Si49.52Ge6.48O112]



REFERENCE: R. Castaneda, A. Corma, V. Fornes, F. Rey and J. Rius,J. Am. Chem. Soc 125 7820–7821 (2003).

Atom x y z Biso occ

Si 1 0.0757 0.1185 0.3737 2.3 0.69Si 2 0.1502 0.1933 0.1831 2.3 1.0Si 3 0.2822 0.1106 0.1273 2.3 0.95Si 4 0.0763 0.1139 0.0 2.3 0.91Ge 1 0.0757 0.1185 0.3737 2.3 0.31Ge 2 0.1502 0.1933 0.1831 2.3 0.0Ge 3 0.2822 0.1106 0.1273 2.3 0.05Ge 4 0.0763 0.1139 0.0 2.3 0.09O 1 0.0949 0.1601 0.1107 2.3 1.0O 2 0.0 0.1258 0.0 2.3 1.0O 3 0.0992 0.0 0.0 2.3 1.0O 4 0.0938 0.1362 0.5 2.3 1.0O 5 0.0783 0.0 0.3298 2.3 1.0O 6 0.1199 0.1867 0.2961 2.3 1.0O 7 0.0 0.1477 0.3673 2.3 1.0O 8 0.2130 0.1271 0.1800 2.3 1.0O 9 0.1698 0.3091 0.1828 2.3 1.0O 10 0.2992 0.0 0.1630 2.3 1.0O 11 0.2731 0.1196 0.0 2.3 1.0

IWV ITQ-27




REFERENCE: D. L. Dorset, G. J. Kennedy, K. G. Strohmaier, M. J. Diaz-Cabanas,F. Rey and A. Corma,J. Am. Chem. Soc. 128 8862–8867 (2006).

Atom x y z Biso occ

Si 1 0.1478 0.0995 0.1968 1.18 1.0Si 2 0.3033 0.0 0.2101 1.18 1.0Si 3 0.0544 0.0656 0.1128 1.18 1.0Si 4 0.28 0.1959 0.0 1.18 1.0Si 5 0.3068 0.1934 0.2129 1.18 1.0Si 6 0.205 0.1011 0.0 1.18 1.0Si 7 0.2704 0.0 0.0 1.18 1.0O 1 0.0908 0.0951 0.1828 2.53 1.0O 2 0.1725 0.1027 0.0948 2.53 1.0O 3 0.1533 0.1539 0.2514 2.53 1.0O 4 0.1693 0.0519 0.2551 2.53 1.0O 5 0.25 0.0 0.25 2.53 1.0O 6 0.304 0.0 0.0946 2.53 1.0O 7 0.0574 0.0 0.1204 2.53 1.0O 8 0.0634 0.0831 0.0 2.53 1.0O 9 0.0 0.084 0.1428 2.53 1.0O 10 0.3126 0.193 0.9034 2.53 1.0O 11 0.2428 0.1483 0.0 2.53 1.0O 12 0.25 0.25 0.0 2.53 1.0O 13 0.25 0.1846 0.25 2.53 1.0O 14 0.3264 0.25 0.25 2.53 1.0O 15 0.2362 0.0501 0.0 2.53 1.0

IWWITQ-22


CRYSTAL DATA: Pbam (No. 55)a = 42.1326 A b = 12.9885 A c = 12.6814 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: A. Corma, F. Rey, S. Valencia, J. L. Jorda and J. Rius,Nature Materials 2 493–497 (2003).

Atom x y z Biso occ

Si 1 0.3850 0.9154 0.1275 2.54 0.8Si 2 0.4226 0.6981 0.1277 2.54 0.8Si 3 0.3564 0.5802 0.1250 2.54 0.8Si 4 0.3189 0.7891 0.1225 2.54 0.8Si 5 0.3839 0.8951 0.5 1.22 0.8Si 6 0.4198 0.6952 0.5 1.22 0.8Si 7 0.3571 0.5625 0.5 1.22 0.8Si 8 0.3190 0.7708 0.5 1.22 0.8Si 9 0.3506 0.4197 0.2980 1.22 0.8Si 10 0.3788 0.0563 0.3157 1.22 0.8Si 11 0.2796 0.8590 0.3139 1.22 0.8Si 12 0.4631 0.6216 0.3125 1.22 0.8Si 13 0.2892 0.3018 0.3767 1.22 0.8Si 14 0.3074 0.0734 0.3764 1.22 0.8Si 15 0.4044 0.2755 0.3769 1.22 0.8Si 16 0.4667 0.3964 0.3765 1.22 0.8Ge 1 0.3850 0.9154 0.1275 2.54 0.2Ge 2 0.4226 0.6981 0.1277 2.54 0.2Ge 3 0.3564 0.5802 0.1250 2.54 0.2Ge 4 0.3189 0.7891 0.1225 2.54 0.2Ge 5 0.3839 0.8951 0.5 1.22 0.2Ge 6 0.4198 0.6952 0.5 1.22 0.2Ge 7 0.3571 0.5625 0.5 1.22 0.2Ge 8 0.3190 0.7708 0.5 1.22 0.2Ge 9 0.3506 0.4197 0.2980 1.22 0.2Ge 10 0.3788 0.0563 0.3157 1.22 0.2Ge 11 0.2796 0.8590 0.3139 1.22 0.2Ge 12 0.4631 0.6216 0.3125 1.22 0.2Ge 13 0.2892 0.3018 0.3767 1.22 0.2Ge 14 0.3074 0.0734 0.3764 1.22 0.2Ge 15 0.4044 0.2755 0.3769 1.22 0.2Ge 16 0.4667 0.3964 0.3765 1.22 0.2O 1 0.4130 0.8239 0.1461 3.19 1.0O 2 0.3835 0.9530 0.0000 3.19 1.0O 3 0.3501 0.8612 0.1655 3.19 1.0O 4 0.3903 0.0226 0.2014 3.19 1.0O 5 0.4290 0.6754 0.0000 3.19 1.0O 6 0.3898 0.6363 0.1718 3.19 1.0O 7 0.4555 0.6668 0.1978 3.19 1.0O 8 0.3626 0.5441 0.0000 3.19 1.0

continued . . .

IWW ITQ-22


Atom x y z Biso occ

O 9 0.3256 0.6622 0.1451 3.19 1.0O 10 0.3448 0.4721 0.1860 3.19 1.0O 11 0.3073 0.8194 0.0000 3.19 1.0O 12 0.2871 0.8218 0.1966 3.19 1.0O 13 0.4133 0.8167 0.5 3.19 1.0O 14 0.3496 0.8419 0.5 3.19 1.0O 15 0.3880 0.9651 0.3968 3.19 1.0O 16 0.3922 0.6110 0.5 3.19 1.0O 17 0.4442 0.6762 0.4054 3.19 1.0O 18 0.3318 0.6549 0.5 3.19 1.0O 19 0.3511 0.4968 0.3953 3.19 1.0O 20 0.2987 0.7909 0.3964 3.19 1.0O 21 0.3194 0.3504 0.3173 3.19 1.0O 22 0.3818 0.3487 0.3080 3.19 1.0O 23 0.3413 0.0815 0.3182 3.19 1.0O 24 0.3996 0.1552 0.3486 3.19 1.0O 25 0.2416 0.8491 0.3207 3.19 1.0O 26 0.2894 0.9788 0.3214 3.19 1.0O 27 0.4570 0.4985 0.3122 3.19 1.0O 28 0.4993 0.6497 0.3419 3.19 1.0O 29 0.2912 0.3267 0.5 3.19 1.0O 30 0.2897 0.1810 0.3462 3.19 1.0O 31 0.3131 0.0524 0.5 3.19 1.0O 32 0.3962 0.2837 0.5 3.19 1.0O 33 0.4411 0.3061 0.3628 3.19 1.0O 34 0.4704 0.4195 0.5 3.19 1.0

Occupancies if Si and Ge were inferred from the known composition.

JBWNepheline Hydrate

REFINED COMPOSITION: |Na3H2O| [Si3Al3O12]

CRYSTAL DATA: Pmc21 (No. 26)a = 7.503 A b = 8.233 A c = 5.230 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: A. Rheinhardt, E. Hellner and H. Ahsbahs,Fortsch. der Mineralogie 60 175–176 (1982).

Atom x y z Biso occ

Na 1 0.5000 0.1774 0.466 1.9 1.0Na 2 0.0000 0.419 0.106 4.9 0.5Si 1 0.5000 0.3942 -0.015 0.9 0.5Si 2 0.2173 0.1060 0.000 0.9 0.5Al 1 0.5000 0.3942 -0.015 0.9 0.5Al 3 0.2173 0.1060 0.000 0.9 0.5O 1 0.0000 0.1420 0.014 1.8 1.0O 2 0.5000 0.5628 0.170 1.8 1.0O 3 0.2849 0.0326 0.718 2.0 1.0O 4 0.3204 0.1833 0.061 1.8 1.0H2O 1 0.0000 0.330 0.514 2.9 0.25H2O 2 0.0000 0.470 0.538 3.9 0.25

KFI (Cs,K) ZK5, Dehydrated

REFINED COMPOSITION: |Cs9.72K12.88| [Si72.96Al23.04O192]



REFERENCE: J. B. Parise, R. D. Shannon, E. Prince and D. E. Cox,Z. Kristallogr. 165 175–190 (1983).

Atom x y z Biso occ

K 1 0.0 0.2500 0.5000 3.9 0.78K 2 0.150 0.150 0.150 3.9 0.22Cs 0.0 0.0 0.314 4.7 0.81Si 0.0825 0.2023 0.3211 1.1 0.76Al 0.0825 0.2023 0.3211 1.1 0.24O 1 0.1280 0.1280 0.3145 2.0 1.0O 2 0.2522 0.2522 0.4081 1.3 1.0O 3 0.0 0.1783 0.3369 1.7 1.0O 4 0.2500 0.1085 0.3915 1.7 1.0

LAULaumontite

REFINED COMPOSITION: |Ca4(H2O)18| [Si16Al8O48]Nasik, India


X-ray Rietveld refinement, Rwp = 0.115, Rp = 0.090, RF2 = 0.046

REFERENCE: G. Artioli and K. Stahl,Zeolites 13 249–255 (1993).

Atom x y z Biso occ

Ca 0.2601 0.5 0.737 3.4 1.0Si 1 0.2368 0.3838 0.156 1.89 1.0Si 2 0.0763 0.3834 0.325 2.13 1.0Al 0.1315 0.3080 0.737 2.61 1.0O 1 0.260 0.5 0.219 0.79 1.0O 2 0.2084 0.3744 0.919 1.66 1.0O 3 0.1384 0.3838 0.552 0.55 1.0O 4 0.146 0.3454 0.203 2.92 1.0O 5 0.3205 0.3185 0.248 0.79 1.0O 6 0.043 0.5 0.267 0.71 1.0O 7 0.013 0.3083 0.743 2.53 1.0H2O 1 0.029 0.171 0.0 2.45 0.5H2O 2 0.401 0.5 0.026 5.92 1.0H2O 5 0.5 0.467 0.5 3.16 0.5H2O 8 0.1426 0.129 0.332 4.03 1.0

LAU Leonhardite

REFINED COMPOSITION: |Ca4H25.184O13.36| [Si16.4Al7.6O48]Teigahorn, Berufjordur, Iceland


Neutron single crystal refinement, RF2 = 0.084; At T = 15K.

REFERENCE: G. Artioli, J. V. Smith and A. Kvick,Zeolites 9 377–391 (1989).

Atom x y z Biso occ

Si 1 0.23810 0.38177 0.15515 0.74 1.0Si 2 0.08281 0.38285 0.32651 0.71 1.0Si 3 0.12982 0.30997 0.73198 0.76 0.05Al 0.12982 0.30997 0.73198 0.76 0.95O 1 0.25981 0.5 0.22658 0.9 1.0O 2 0.21108 0.37669 0.92717 0.96 1.0O 3 0.14973 0.38130 0.55330 1.01 1.0O 4 0.14659 0.33896 0.20664 0.94 1.0O 5 0.33598 0.31686 0.26834 0.94 1.0O 6 0.05002 0.5 0.26109 0.9 1.0O 7 0.01051 0.31005 0.71791 1.06 1.0Ca 0.27540 0.5 0.75776 1.06 1.0O 11 0.41286 0.5 0.03570 2.64 0.130O 12 0.41489 0.45514 0.05147 1.78 0.311O 13 0.5 0.43199 0.5 1.97 0.450O 14 0.38445 0.42560 0.62407 1.57 0.327O 15 0.37628 0.38162 0.65890 2.39 0.200O 16 0.39527 0.37909 0.77087 2.91 0.286O 17 0.40290 0.38065 0.84035 1.38 0.143O 18 0.41917 0.37517 0.98301 1.55 0.113H 1 0.47394 0.43341 0.03731 3.13 0.224H 2 0.47076 0.5 0.05896 3.65 0.080H 3 0.45425 0.47073 0.11239 3.86 0.123H 4 0.40834 0.38935 0.12684 4.03 0.132H 5 0.41832 0.42092 0.16151 3.55 0.224H 6 0.44714 0.38924 0.41741 2.73 0.433H 7 0.37143 0.37046 0.52675 3.45 0.456H 8 0.36681 0.39410 0.53068 3.72 0.089H 9 0.42706 0.47454 0.59007 2.47 0.314H 10 0.42967 0.39404 0.66218 2.15 0.140H 11 0.41716 0.33596 0.73197 2.36 0.145H 12 0.44065 0.37303 0.73626 3.32 0.155H 13 0.38262 0.30594 0.74108 4.21 0.126H 14 0.37938 0.29567 0.81611 2.59 0.215H 15 0.40073 0.33226 0.82437 3.38 0.090H 16 0.47481 0.39229 0.89948 3.75 0.101H 17 0.41649 0.31170 0.90170 3.35 0.141

LAUCobalt Gallophosphate

REFINED COMPOSITION: |(C5H6N)8| [Co8Ga16P24O96]


REFERENCE: A. M. Chippindale and R. I. Walton,J. Chem. Soc., Chem. Commun. 2453–2454 (1994).

Atom x y z Biso occ

Ga 1 0.56738 0.10568 0.65382 2.07 0.6667Co 1 0.56738 0.10568 0.65382 2.07 0.3333Ga 2 0.73158 -0.12692 0.57730 2.04 0.6667Co 2 0.73158 -0.12692 0.57730 2.04 0.3333Ga 3 0.63532 0.19004 0.36767 2.1 0.6667Co 3 0.63532 0.19004 0.36767 2.1 0.3333P 1 0.5716 -0.1306 0.6573 2.17 1.0P 2 0.7317 0.1144 0.5759 2.1 1.0P 3 0.6368 0.1869 0.8647 2.2 1.0O 1 0.6270 -0.1711 0.6002 3.61 1.0O 2 0.7156 0.1423 0.9528 2.53 1.0O 3 0.5295 -0.0264 0.6227 3.46 1.0O 4 0.7126 0.1169 0.4706 3.28 1.0O 5 0.7572 0.0068 0.6151 2.48 1.0O 6 0.8178 0.1799 0.6299 3.25 1.0O 7 0.4905 -0.2056 0.6435 2.68 1.0O 8 0.6349 0.1218 0.7831 3.3 1.0O 9 0.6598 0.2974 0.8514 3.2 1.0O 10 0.6379 -0.1243 0.7616 3.44 1.0O 11 0.4594 0.1869 0.6233 3.38 1.0O 12 0.6437 0.1546 0.5907 3.41 1.0C 1 0.170 0.0043 0.139 5.7 1.0N 0.124 -0.080 0.144 9.07 1.0C 2 0.124 0.096 0.130 7.49 1.0C 3 0.031 0.100 0.123 7.94 1.0C 4 -0.012 0.010 0.135 10.94 1.0C 5 0.035 -0.081 0.144 8.69 1.0H 11 0.2373 0.0011 0.1413 6.47 1.0H 111 0.1579 -0.1462 0.1486 9.19 1.0H 21 0.1594 0.1600 0.1290 8.35 1.0H 31 -0.0055 0.1653 0.1099 7.82 1.0H 41 -0.0774 0.0124 0.1370 11.99 1.0H 51 0.0042 -0.1460 0.1501 9.69 1.0

LEV Levyne

REFINED COMPOSITION: |Ca7.8Na2.16K0.72(H2O)46.08| [Si35.1Al18.9O108]Nurri, Nuoro, Sardinia, Italy



REFERENCE: S. Merlino, E. Galli and A. Alberti,Tschermaks Mineral. Petrogr. Mitt. 22 117–129 (1975).

Atom x y z Biso occ

Na 2 0.0 0.0 0.2782 3.4 0.12Na 3 0.0 0.0 0.4095 9.4 0.12Na 4 0.0 0.0 0.4498 0.7 0.06Na 5 0.0 0.0 0.5 0.7 0.12K 2 0.0 0.0 0.2782 3.4 0.06K 3 0.0 0.0 0.4095 9.4 0.06Ca 1 0.0 0.0 0.1389 3.48 1.0Ca 2 0.0 0.0 0.2782 3.4 0.12Ca 3 0.0 0.0 0.4095 9.4 0.12Ca 4 0.0 0.0 0.4498 0.7 0.06Si 1 0.0001 0.2322 0.0697 1.39 0.65Si 2 0.2396 0.0 0.5 1.32 0.65Al 1 0.0001 0.2322 0.0697 1.39 0.35Al 2 0.2396 0.0 0.5 1.32 0.35O 1 0.0339 0.3493 0.1079 2.72 1.0O 2 0.0920 -0.0920 0.0827 2.98 1.0O 3 0.1275 -0.1275 -0.0910 3.45 1.0O 4 0.2643 0.0 0.0 3.83 1.0O 5 0.2219 -0.2219 0.1793 2.98 1.0H2O 1 0.2567 -0.2567 -0.1241 4.8 1.0H2O 2 0.1222 -0.1222 0.2852 8.0 0.74H2O 3 0.2547 -0.2547 0.0187 6.5 0.54H2O 4 0.5429 -0.5429 -0.0445 5.7 0.28

LEV1-aminoadamantane NU-3




REFERENCE: L. B. McCusker,Mat. Sci. Forum Vol. 133-136 423–434 (1993).And L. B. McCusker, Private communication (1995).

Atom x y z Biso occ

Si 1 0.2327 0.0006 0.0694 0.95 1.0Si 2 0.33333 -0.0943 0.16667 0.95 1.0O 1 0.2641 0.0 0.0 1.18 1.0O 2 0.0956 -0.0956 0.0795 1.82 1.0O 3 0.2492 0.1246 0.0890 1.26 1.0O 4 0.4460 -0.1080 0.1544 1.11 1.0O 5 0.3121 -0.0340 0.1078 1.03 1.0C 1 0.0 0.0 0.2190 5.37 1.0C 2 0.0635 0.1270 0.2449 5.37 1.0C 3 0.0651 0.1302 0.3130 5.37 1.0C 4 0.1248 0.0624 0.3386 5.37 1.0N 0.1254 0.2508 0.3320 5.37 0.333

The y-value of O4 has been corrected to 2x − 1, rather than 1 − 2x.

LIO Liottite

REFINED COMPOSITION: |K13.788Ca6(SO4)5Cl3.5F0.5| [Si18Al18O72]Pitigliano, Tuscany, Italy



REFERENCE: P. Ballirano, S. Merlino and E. Bonaccorsi,Canadian Mineralogist 34 1021–1030 (1996).

Atom x y z Biso occ

Si 1 0.9954 0.7437 0.0 0.61 1.0Al 1 0.3339 0.4088 0.833 0.64 1.0Si 2 0.6718 0.0822 0.6637 0.59 1.0Al 2 0.3364 0.4097 0.5 0.56 1.0Si 3 0.5852 0.6661 0.8329 0.61 1.0Al 3 0.7378 0.7488 0.0 0.6 1.0Si 4 0.5873 0.67 0.5 0.57 1.0Al 4 0.9282 0.3431 0.6635 0.62 1.0O 1 0.8771 0.1258 0.0 1.97 1.0O 2 0.1025 0.8798 0.0 1.63 1.0O 3 0.9943 0.6706 0.9182 1.5 1.0O 4 0.6631 0.6698 0.9119 1.6 1.0O 5 0.2179 0.7886 0.8253 1.65 1.0O 6 0.4501 0.5552 0.8386 1.65 1.0O 7 0.3463 0.331 0.7491 1.41 1.0O 8 0.6574 0.656 0.7543 1.52 1.0O 9 0.5464 0.4367 0.6545 1.34 1.0O 10 0.7933 0.2105 0.6632 2.1 1.0O 11 0.6772 0.0062 0.5856 1.41 1.0O 12 0.6659 0.6735 0.5794 1.4 1.0O 13 0.2173 0.7836 0.5 1.56 1.0O 14 0.454 0.5557 0.5 1.17 1.0Ca 1 0.3333 0.6667 0.5 1.28 1.0Ca 2 0.3333 0.6667 0.833 1.36 1.0Ca 3 0.0 0.0 0.9783 1.73 0.5Ca 4 0.6667 0.3333 0.3915 1.51 0.5Ca 5 0.6667 0.3333 0.3436 2.32 0.5K 1 0.8463 0.1651 0.5 1.34 0.572K 11 0.857 0.143 0.5 1.34 0.182K 2 0.1125 0.8864 0.6651 3.1 0.684K 22 0.145 0.851 0.675 3.1 0.074K 3 0.8364 0.1722 0.8313 1.96 0.694K 33 0.816 0.191 0.847 1.96 0.058K 4 0.5543 0.4458 0.0 2.67 0.822F 0.7476 0.27 0.5 2.02 0.167Cl 1 0.3333 0.6667 0.0 5.78 1.0Cl 2 0.6667 0.3333 0.5 12.7 0.5Cl 3 0.3333 0.6667 0.3335 5.86 1.0S 1 0.0 0.0 0.7971 1.36 0.5

continued . . .

LIOLiottite


Atom x y z Biso occ

S 11 0.977 0.013 0.7874 2.67 0.167S 2 0.0357 0.017 0.5 2.75 0.333S 3 0.6667 0.3333 0.8568 3.24 1.0O 21 0.0 0.0 0.886 7.94 0.5O 22 0.1213 0.0582 0.7676 5.83 0.667O 23 0.056 0.094 0.723 9.11 0.167O 24 0.119 0.054 0.845 6.82 0.333O 25 0.119 0.058 0.426 5.12 0.333O 26 0.11 0.051 0.479 10.65 0.333O 27 0.6667 0.3333 0.2409 2.76 0.5O 28 0.7285 0.4595 0.8789 2.89 0.667O 29 0.692 0.298 0.211 7.35 0.167O 30 0.728 0.288 0.913 10.11 0.333

-LIT Lithosite

REFINED COMPOSITION: |K12| [Al8Si16O52]Khibiny Massif, Kola Peninsula, Russia


X-ray Rietveld refinement, Raniso = 0.064

REFERENCE: Z. V. Pudovkina, L. P. Soloveva and Y. A. Pyatenko,Sov. Phys. Dokl. 31 941–942 (1986).

Atom x y z Biso occ

Si 1 0.262 0.219 0.435 0.62 1.0Si 2 0.259 0.221 0.063 0.37 1.0Si 3 0.561 0.192 0.053 0.87 1.0Si 4 0.914 0.111 0.559 0.81 1.0Si 5 0.243 0.778 0.939 0.98 1.0Si 6 0.237 0.777 0.565 0.68 1.0Si 7 0.586 0.886 0.439 0.78 1.0Si 8 0.940 0.807 0.942 0.86 1.0Al 1 0.910 0.110 0.930 0.64 1.0Al 2 0.563 0.188 0.443 0.83 1.0Al 3 0.936 0.809 0.558 0.70 1.0Al 4 0.590 0.891 0.064 0.65 1.0K 1 0.697 0.054 0.752 1.42 1.0K 2 0.422 0.046 0.752 1.84 1.0K 3 0.136 0.064 0.738 2.13 1.0K 4 0.801 0.947 0.247 1.43 1.0K 5 0.078 0.938 0.248 1.90 1.0K 6 0.370 0.944 0.244 1.90 1.0O 1 0.248 0.188 0.249 1.40 1.0O 2 0.995 0.219 0.948 1.09 1.0O 3 0.005 0.721 0.436 1.56 1.0O 4 0.293 0.101 0.958 1.21 1.0O 5 0.548 0.027 0.501 1.38 1.0O 6 0.552 0.039 0.997 1.18 1.0O 7 0.706 0.597 0.468 1.03 1.0O 8 0.547 0.218 0.245 1.39 1.0O 9 0.824 0.153 0.453 1.31 1.0O 10 0.824 0.153 0.054 1.46 1.0O 11 0.123 0.598 0.257 1.49 1.0O 12 0.167 0.272 0.501 1.37 1.0O 13 0.156 0.245 0.001 1.43 1.0O 14 0.247 0.821 0.754 1.06 1.0O 15 0.507 0.781 0.451 0.87 1.0O 16 0.511 0.773 0.051 1.73 1.0O 17 0.196 0.908 0.479 1.24 1.0O 18 0.947 0.961 0.000 1.28 1.0O 19 0.946 0.970 0.486 0.98 1.0O 20 0.204 0.904 0.024 1.06 1.0O 21 0.048 0.295 0.240 1.61 1.0

continued . . .

-LITLithosite


Atom x y z Biso occ

O 22 0.690 0.854 0.970 0.60 1.0O 23 0.665 0.844 0.560 1.21 1.0O 24 0.624 0.898 0.263 1.14 1.0O 25 0.663 0.234 0.001 1.43 1.0O 26 0.331 0.745 0.494 1.33 1.0

LOS Losod

REFINED COMPOSITION: |Na12.5(H2O)14.32| [Si12Al12O48]Synthetic material


X-ray Rietveld refinement, Rwp = 0.154, RF = 0.084, Rexp = 0.136

REFERENCE: P. A. Schicker,Ph.D. Thesis No. 8494, ETH Zurich (1988).

Atom x y z Biso occ

Na 1 0.897 0.449 -0.018 11.2 0.98Na 2 0.846 0.1539 -0.24 5.5 0.73Na 3 0.0 0.0 -0.45 0.0 0.52Na 4 0.6667 0.3333 -0.66 1.5 0.60Si 1 0.250 -0.002 0.0 1.5 0.5Al 1 0.250 -0.002 0.0 1.5 0.5Si 2 0.414 0.084 0.248 1.9 0.5Al 2 0.414 0.084 0.248 1.9 0.5O 1 0.220 0.110 -0.006 4.4 1.0O 2 0.358 0.025 0.102 2.1 1.0O 3 0.458 0.229 0.257 5.8 1.0O 4 0.529 0.058 0.267 4.1 1.0O 5 0.125 -0.125 0.035 14.3 1.0O 6 0.312 0.007 0.354 3.5 1.0H2O 1 0.749 0.251 -0.22 12.9 0.87H2O 2 0.774 0.387 -0.442 13.7 0.88H2O 3 0.0 0.0 -0.61 0.5 0.53H2O 4 0.0 0.0 -0.24 0.0 0.52H2O 5 0.6667 0.3333 0.06 11.5 0.86

LOVLovdarite

REFINED COMPOSITION: |Na12K4(H2O)18| [Si28Be8O72]Mt. Karnasurt, Lovezero Pluton, Russia

CRYSTAL DATA: Pma2 (No. 28)a = 39.576 A b = 6.9308 A c = 7.1526 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: S. Merlino,Eur. J. Mineral. 2 809–817 (1990).

Atom x y z Biso occ

Na 1 0.25 0.6098 0.2437 1.95 1.0Na 2 0.25 0.6217 0.7683 1.97 1.0Na 3 0.1283 0.8542 0.6990 2.18 1.0Na 4 0.0069 0.2840 0.8652 6.10 1.0K 0.3860 0.0417 0.1828 1.98 1.0Si 1 0.2113 0.0504 0.2770 0.73 1.0Si 2 0.2113 0.0497 0.7179 0.84 1.0Si 3 0.1952 0.3671 -0.0008 0.77 1.0Si 4 0.1248 0.5026 -0.0269 0.89 1.0Si 5 0.0582 0.5267 0.1399 0.92 1.0Si 6 0.0333 0.2593 0.4469 0.79 1.0Si 7 0.0458 0.8202 0.4588 0.87 1.0Be 1 0.1805 0.7820 0.0050 0.47 1.0Be 2 0.0670 0.5415 0.7334 1.00 1.0O 1 0.25 -0.0319 0.2723 0.61 1.0O 2 0.2103 0.2603 0.1857 1.35 1.0O 3 0.1858 -0.0960 0.1901 1.12 1.0O 4 0.2023 0.0905 0.5007 1.33 1.0O 5 0.25 -0.0324 0.7287 1.20 1.0O 6 0.2106 0.2624 0.8147 1.14 1.0O 7 0.1858 -0.1014 0.8030 1.15 1.0O 8 0.2065 0.5870 0.0011 0.77 1.0O 9 0.1540 0.3356 0.0027 1.33 1.0O 10 0.1409 0.7122 -0.0041 1.25 1.0O 11 0.0979 0.4563 0.1463 1.00 1.0O 12 0.1057 0.4735 0.7794 1.34 1.0O 13 0.0355 0.3608 0.2493 1.22 1.0O 14 0.0563 0.7205 0.2606 1.89 1.0O 15 0.0448 0.5539 -0.0671 1.40 1.0O 16 0.0514 0.0501 0.4226 1.13 1.0O 17 0.0493 0.3782 0.6145 1.51 1.0O 18 -0.0060 0.2198 0.5039 1.43 1.0O 19 0.0678 -0.2501 0.6341 0.88 1.0H2O 1 0.2115 0.5643 0.5123 2.17 1.0H2O 2 0.1438 0.6958 0.4247 2.38 1.0H2O 3 0.1290 0.1820 0.5459 2.70 1.0H2O 4 0.0744 0.0616 0.8790 3.91 1.0H2O 5 0.0 0.0 0.0134 8.03 1.0

LTA Linde Type A, Dehydrated

REFINED COMPOSITION: |Na91.78| [Si96Al96O384]



REFERENCE: J. J. Pluth and J. V. Smith,J. Am. Chem. Soc. 102 4704–4708 (1980).

Atom x y z Biso occ

Si 0.0 0.09316 0.18499 1.89 1.0Al 0.0 0.18715 0.09042 1.98 1.0O 1 0.0 0.11367 0.24663 3.17 1.0O 2 0.0 0.14459 0.14591 3.68 1.0O 3 0.05379 0.05865 0.17152 2.98 1.0Na 1 0.09960 0.09960 0.09960 3.79 0.972Na 2 0.0 0.2165 0.2111 6.35 0.242Na 3 0.2500 0.1060 0.1060 4.34 0.066

LTALinde Type A, Hydrated




REFERENCE: K. Hasegawa, E. Nishibori, M. Takata, M. Sakata and N. Togashi,Jpn. J. Appl. Phys. 38 Suppl. 38-1 65–68 (1999).

Atom x y z Biso occ

Si 0.0 0.0931 0.1851 0.95 1.0Al 0.0 0.1874 0.0903 0.95 1.0O 1 0.0 0.1122 0.2444 1.45 1.0O 2 0.0 0.1493 0.1419 1.45 1.0O 3 0.0511 0.0616 0.1711 1.45 1.0Na 1 0.1014 0.1014 0.1014 1.9 0.9975Na 2 0.0 0.226 0.213 1.9 0.25Na 3 0.129 0.129 0.25 1.9 0.072O 4 0.154 0.25 0.25 8.0 0.204H 41 0.175 0.22597 0.22597 8.0 0.102O 5 0.047 0.269 0.287 8.0 0.153H 51 0.047 0.269 0.287 8.0 0.153H 52 0.047 0.269 0.287 8.0 0.153

LTL Perlialite

REFINED COMPOSITION: |K7.56Tl3.8(H2O)22.46| [Si24Al12O72]Murun Massif, Russia


X-ray powder refinement, Rwp = 0.20, Rp = 0.17

REFERENCE: G. Artioli and A. Kvick,Eur. J. Mineral. 2 749–759 (1990).

Atom x y z Biso occ

K 1 0.33333 0.66667 0.0 5.53 0.18K 2 0.33333 0.66667 0.5 1.18 0.38K 21 0.33333 0.66667 0.427 1.18 0.31K 3 0.297 0.0 0.0 3.63 0.517Tl 3 0.315 0.0 0.0 3.63 0.483K 4 0.5 0.0 0.5 3.24 0.699Tl 4 0.5 0.0 0.5 3.24 0.301Si 1 0.0924 0.3546 0.5 2.53 0.667Si 2 0.1672 0.4975 0.215 4.9 0.667Al 1 0.0924 0.3546 0.5 2.53 0.333Al 2 0.1672 0.4975 0.215 4.9 0.333O 1 0.0 0.272 0.5 0.79 1.0O 2 0.158 0.316 0.5 4.74 1.0O 3 0.260 0.520 0.288 5.53 1.0O 4 0.1038 0.4125 0.326 1.82 1.0O 5 0.4092 0.818 0.213 4.74 1.0O 6 0.156 0.483 0.0 1.18 1.0H2O 1 0.11 0.0 0.0 7.11 0.40H2O 2 0.134 0.0 0.37 7.11 0.91H2O 3 0.28 0.14 0.0 2.37 0.25H2O 4 0.28 0.14 0.26 7.9 0.19H2O 5 0.0 0.0 0.172 7.9 0.70H2O 6 0.560 0.280 0.0 7.9 0.66

The presence of thallium atoms at the K3 and K4 sites in the larger cavitiesof the zeolite framework is considered to be an artifact of heavy liquid separation.

LTLLinde Type L

REFINED COMPOSITION: |Na5K4.7(H2O)20.8| [Si27Al9O72]Synthetic material


X-ray powder refinement, RF = 0.13

REFERENCE: R. M. Barrer and H. Villiger,Z. Kristallogr. 128 352–270 (1969).

Atom x y z Biso occ

Na 1 0.3333 0.6667 0.0 4.0 0.7Na 2 0.0 0.303 0.0 2.0 0.6K 1 0.3333 0.6667 0.5 1.0 1.0K 2 0.0 0.5 0.5 3.0 0.9Si 1 0.0946 0.3595 0.5 1.2 0.75Si 2 0.1662 0.4989 0.2137 0.6 0.75Al 1 0.0946 0.3595 0.5 1.2 0.25Al 2 0.1662 0.4989 0.2137 0.6 0.25O 1 0.0 0.2674 0.5 1.0 1.0O 2 0.1646 0.3292 0.5 1.0 1.0O 3 0.2620 0.5240 0.260 2.5 1.0O 4 0.1004 0.4078 0.330 1.0 1.0O 5 0.4261 0.8522 0.275 1.3 1.0O 6 0.1360 0.4691 0.0 0.8 1.0H2O 1 0.0700 0.1400 0.5 4.0 0.7H2O 2 0.0 0.09 0.5 7.0 0.25H2O 3 0.0 0.0 0.5 15.0 0.5H2O 4 0.0 0.135 0.243 4.0 0.25H2O 5 0.092 0.184 0.203 5.0 0.25H2O 6 0.0 0.0 0.189 10.0 0.7H2O 7 0.116 0.232 0.0 6.0 0.7H2O 8 0.0 0.195 0.0 5.0 0.5

LTN NaZ-21




REFERENCE: Y. F. Shepelev, Y. I. Smolin, I. K. Butikova and V. I. Tarasov,Doklady Akad. Nauk SSSR 272 1133–1137 (1975).

Atom x y z Biso occ

Na 1 0.0420 0.0420 0.0420 3.0 1.0Na 2 0.2312 0.2132 0.2132 0.8 0.56Na 3 0.2337 0.2337 0.2337 3.0 0.26Na 4 0.6964 0.6964 0.6964 2.4 0.77Na 5 0.4184 0.4184 0.4184 3.0 0.53Na 6 0.4322 0.4322 0.4322 3.5 0.21Na 7 0.4564 0.4564 0.4564 3.3 0.09Na 8 0.1770 0.0742 0.8278 2.1 0.46Na 9 0.1895 0.0621 0.8156 2.4 0.24Na 10 0.2006 0.0501 0.7983 2.6 0.23Na 11 0.1805 0.0705 0.4323 2.7 1.0Na 12 0.2723 0.1111 0.3621 2.8 0.6Na 13 0.2541 0.1110 0.3615 0.9 0.25Na 14 0.2311 0.1084 0.3640 3.0 0.15Si 1 0.2481 0.0633 0.6252 0.4 1.0Si 2 0.3103 0.1213 0.7456 0.5 1.0Si 3 0.1717 0.0154 0.9540 0.4 1.0Si 4 0.2230 0.0852 0.2858 0.7 1.0Al 1 0.3141 -0.0016 0.8749 0.5 1.0Al 2 0.2484 0.1221 0.8066 0.5 1.0Al 3 0.2965 0.0164 0.0794 0.4 1.0Al 4 0.2850 0.0853 0.2273 0.7 1.0O 1 0.2151 0.0365 0.6145 1.6 1.0O 2 0.1613 0.0917 0.7357 1.0 1.0O 3 0.3857 0.0308 0.0360 1.7 1.0O 4 0.2580 0.0866 0.5894 1.3 1.0O 5 0.1135 0.0417 0.4616 1.4 1.0O 6 0.1982 0.0495 0.9583 1.6 1.0O 7 0.3626 0.0346 0.7917 1.4 1.0O 8 0.3261 0.0877 0.5060 1.8 1.0O 9 0.2529 0.0944 0.8444 1.4 1.0O 10 0.3209 0.0698 0.2537 1.9 1.0O 11 0.2160 0.1228 0.9583 1.7 1.0O 12 0.2652 0.0686 0.9861 1.8 1.0O 13 0.2454 0.1656 0.8233 1.9 1.0O 14 0.1723 0.0018 0.2433 2.0 1.0O 15 0.2803 0.0436 0.3807 1.7 1.0O 16 0.2839 0.0653 0.1852 1.8 1.0H2O 1 0.2685 0.2685 0.2685 7.3 0.89H2O 2 0.3699 0.0673 0.1659 2.6 0.17

continued . . .

LTNNaZ-21


Atom x y z Biso occ

H2O 3 0.3693 0.0758 0.1748 3.8 0.63H2O 4 0.3679 0.0911 0.1828 2.3 0.2H2O 5 0.0754 0.0754 0.0754 6.3 0.4H2O 6 0.3268 0.1250 0.6250 5.5 0.86H2O 7 0.1558 0.0849 0.8880 5.4 0.6H2O 8 0.1471 0.1066 0.8896 4.6 0.36H2O 9 0.3553 0.0276 0.3912 6.3 0.38H2O 10 0.3496 0.0471 0.3987 3.4 0.61H2O 11 0.2063 0.0449 0.1043 3.8 0.29

MAR Marinellite

REFINED COMPOSITION: |Na48.02K10.98Ca6.08(SO4)8Cl6O16(H2O)14| [Si36Al36O144]Sacrofano, Biachella Valley, Latium, Italy.



REFERENCE: E. Bonaccorsi and P. Orlandi,Eur. J. Mineral. 15 1019–1027 (2003).

Atom x y z Biso occ

Si 1 0.2510 0.9984 0.0144 0.7 1.00Si 2 0.9171 0.5809 0.0975 0.7 1.00Si 3 0.9164 0.5839 0.4302 0.7 1.00Si 4 0.5863 0.6698 0.1800 0.7 1.00Si 5 0.5850 0.6716 0.3468 0.7 1.00Si 6 0.5840 0.9170 0.7634 0.6 1.00Al 1 0.7480 0.0022 0.0132 0.9 1.00Al 2 0.4110 0.0814 0.0972 0.9 1.00Al 3 0.4170 0.0815 0.4297 0.9 1.00Al 4 0.5811 0.9241 0.1804 0.6 1.00Al 5 0.5798 0.9230 0.3455 0.6 1.00Al 6 0.4137 0.0769 0.2637 0.6 1.00O 11 0.333 0.013 0.0520 4.1 1.00O 12 0.327 0.007 0.4710 4.1 1.00O 21 0.970 0.639 0.0487 0.7 1.00O 22 0.995 0.688 0.4655 0.7 1.00O 31 0.217 0.103 0.0123 2.1 1.00O 32 0.248 0.120 0.5250 2.1 1.00O 41 0.418 0.212 0.1062 2.6 1.00O 42 0.453 0.229 0.4300 2.6 1.00O 51 0.330 0.356 0.1321 1.0 1.00O 52 0.364 0.343 0.3836 1.0 1.00O 61 0.650 0.664 0.1350 2.8 1.00O 62 0.659 0.662 0.3860 2.8 1.00O 71 0.887 0.441 0.0942 2.6 1.00O 72 0.918 0.463 0.4407 2.6 1.00O 81 0.665 0.661 0.2171 1.9 1.00O 82 0.647 0.681 0.2999 1.9 1.00O 91 0.360 0.330 0.2166 1.0 1.00O 92 0.338 0.354 0.2994 1.0 1.00O 101 0.594 0.795 0.1873 1.3 1.00O 102 0.595 0.798 0.3548 1.3 1.00O 111 0.432 0.876 0.1826 1.5 1.00O 112 0.427 0.872 0.3468 1.5 1.00O 12 0.405 0.205 0.2714 1.6 1.00O 13 0.881 0.445 0.2652 1.7 1.00S 1 0.0 0.0 0.1163 5.9 1.00O 201 0.0 0.0 0.0703 9.5 1.00O 301 0.072 0.121 0.131 3.2 1.00

continued . . .

MARMarinellite


Atom x y z Biso occ

S 2 0.0 0.0 0.2559 3.0 1.00O 202 0.0 0.0 0.302 9.5 0.50O 302 0.038 0.113 0.232 4.7 0.50O 402 0.0 0.0 0.2099 9.5 0.50O 502 0.068 0.115 0.277 2.8 0.50S 3 0.0 0.0 0.4092 2.8 1.00O 203 0.0 0.0 0.45 9.5 1.00O 303 0.062 0.121 0.3886 6.0 1.00S 4 0.33333 0.66667 0.467 8.7 1.00O 204 0.33333 0.66667 0.421 9.5 0.50O 304 0.4 0.62 0.491 7.9 0.50O 404 0.33333 0.66667 0.513 9.5 0.50O 504 0.463 0.727 0.444 3.2 0.50Cl 0.372 0.667 0.0589 3.4 1.00K 1 0.232 0.1159 0.1808 3.9 1.00K 2 0.2302 0.1164 0.3391 2.8 0.91Na 1 0.201 0.401 0.0856 3.1 0.50Na 11 0.16 0.316 0.1001 3.1 0.50Na 2 0.6882 0.844 0.2608 2.4 1.00Na 3 0.153 0.839 0.4259 1.6 1.00Ca 1 0.0 0.0 0.5256 1.3 0.54Ca 11 0.0 0.0 0.507 1.3 0.27Na 4 0.33333 0.66667 0.159 1.7 0.50Na 44 0.33333 0.66667 0.186 1.7 0.50Na 5 0.33333 0.66667 0.3783 1.0 0.50Na 55 0.33333 0.66667 0.3553 1.0 0.50Na 6 0.66667 0.33333 0.102 3.9 0.50Na 66 0.66667 0.33333 0.065 3.9 0.50Na 7 0.66667 0.33333 0.283 2.4 0.50Na 77 0.66667 0.33333 0.247 2.4 0.50Na 8 0.66667 0.33333 0.469 1.7 0.50Na 88 0.66667 0.33333 0.452 1.7 0.50Na 9 0.019 0.511 0.0161 2.4 0.37Na 99 0.919 0.457 0.0036 2.4 0.32H2O 1 0.31 0.609 0.265 7.1 0.33H2O 2 0.66667 0.33333 0.357 4.7 1.00H2O 3 0.712 0.34 0.185 5.5 0.33

Member of the ABC-6 family, with stacking sequence is ABCBCBACBCBC. . . ,where A, B, and C represent the positions of the rings within the layers.

MAZ Mazzite

REFINED COMPOSITION: |Na0.3K2.52Ca1.06Mg2(H2O)31.48| [Si26.28Al9.72O72]Mont Semiol, Loire, France



REFERENCE: E. Galli,Rend. Soc. Ital. Mineral. Petrol. 31 599–612 (1975).

Atom x y z Biso occ

Na 0.5 0.0 0.0 4.61 0.05K 0.5 0.0 0.0 4.61 0.42Mg 0.3333 0.6667 -0.25 2.71 1.0Ca 1 0.5 0.0 0.0 4.61 0.03Ca 2 0.0 0.0 0.072 23.2 0.22Si 1 0.1584 0.4902 0.25 1.05 0.73Si 2 0.3536 0.0933 0.0444 1.05 0.73Al 1 0.1584 0.4902 0.25 1.05 0.27Al 2 0.3536 0.0933 0.0444 1.05 0.27O 1 0.2589 0.5178 0.25 2.38 1.0O 2 0.4249 0.8498 0.25 1.9 1.0O 3 0.3822 0.1004 0.25 2.14 1.0O 4 0.4352 0.1114 -0.0721 2.27 1.0O 5 0.1614 0.3228 -0.0016 1.96 1.0O 6 0.2741 0.0 0.0 2.37 1.0H2O 1 0.467 0.934 0.661 6.4 0.5H2O 2 0.3333 0.6667 0.016 4.3 1.0H2O 3 0.271 0.542 -0.25 5.4 0.44H2O 4 0.566 0.355 0.25 6.9 0.44H2O 5 0.028 0.148 0.030 7.7 0.23H2O 6 0.088 0.176 0.25 21.8 0.89H2O 7 0.076 0.152 -0.25 31.2 0.45

MEIZSM-18, SiO2 Framework



DLS76 refinement

REFERENCE: S. L. Lawton and W. J. Rohrbaugh,Science 247 1319–1322 (1990).

Atom x y z

Si 1 0.6667 0.3333 0.3495Si 2 0.6713 0.1500 0.4700Si 3 0.4522 0.1161 0.5682Si 4 0.5266 0.2118 0.75O 1 0.6667 0.3333 0.25O 2 0.6623 0.2169 0.3878O 3 0.5793 0.1388 0.5411O 4 0.4217 0.1984 0.5101O 5 0.4540 0.1495 0.6663O 6 0.6506 0.2126 0.75O 7 0.6443 0.0200 0.4453

MEL ZSM-11, Calcined




REFERENCE: C. A. Fyfe, H. Gies, G. T. Kokotailo, C. Pasztor, H. Strobl andD. E. Cox, J. Am. Chem. Soc. 111 2470–2474 (1989).

Atom x y z Biso occ

Si 1 0.0777 0.0777 0.0000 0.34 1.0Si 2 0.1212 0.1860 0.1451 1.64 1.0Si 3 0.0775 0.2219 0.3569 1.29 1.0Si 4 0.2801 0.1882 0.1403 0.39 1.0Si 5 0.3053 0.0768 -0.0079 0.28 1.0Si 6 0.1938 0.1938 0.5 1.1 1.0Si 7 0.0761 0.3819 0.3589 -0.20 1.0O 1 0.0873 0.0 0.0279 3.30 1.0O 2 0.1067 0.1179 0.0975 2.83 1.0O 3 0.0926 0.1856 0.2550 1.71 1.0O 4 0.2018 0.1993 0.1506 1.79 1.0O 5 0.3309 0.1186 0.0889 1.62 1.0O 6 0.3003 0.0 0.0247 0.77 1.0O 7 0.3095 0.1905 0.25 3.27 1.0O 8 0.1204 0.1931 0.4478 0.24 1.0O 9 0.2511 0.1927 0.4252 1.43 1.0O 10 0.0905 0.3010 0.3497 1.16 1.0O 11 0.0 0.2090 0.3875 3.49 1.0O 12 0.0 0.3960 0.3871 -0.34 1.0O 13 0.0926 0.2437 0.0900 1.59 1.0O 14 0.1295 0.4078 0.4348 0.03 1.0O 15 0.0875 0.4125 0.25 -1.59 1.0

MELDDP-stabilized ZSM-11


CRYSTAL DATA: I4m2 (No. 119)a = 20.049 A b = 20.049 A c = 13.379 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: H. van Koningsveld, M. J. den Exter, J. H. Koegler, C. D. Laman,S. L. Njo and H. Graafsma,Proc. 12th Int. Zeolite Conf. IV2419–2424 (1999) Eds. M.M.J. Treacy, B.K. Marcus, M.E. Bisherand J.B. Higgins, Materials Research Society.

Atom x y z Biso occ

Si 1 0.07697 0.07697 0.0 1.303 0.975Si 2 0.12066 0.18805 0.14403 1.275 0.919Si 3 0.07657 0.22544 0.35715 1.395 0.935Si 4 0.27751 0.18986 0.14020 1.562 0.945Si 5 0.30711 0.07607 -0.00710 1.550 0.951Si 6 0.19003 0.19003 0.5 1.595 0.965Si 7 0.07623 0.37981 0.35642 1.409 0.831O 1 0.08949 0.0 0.02457 2.565 1.0O 2 0.09927 0.11881 0.09556 3.186 1.0O 3 0.09339 0.18817 0.25533 3.694 1.0O 4 0.19912 0.19530 0.14277 5.287 1.0O 5 0.29995 0.12140 0.08997 4.055 1.0O 6 0.30384 0.0 0.02887 2.533 1.0O 7 0.30878 0.19123 0.25 3.360 1.0O 8 0.11974 0.19273 0.44308 3.137 1.0O 9 0.24946 0.19422 0.42167 4.159 1.0O 10 0.09331 0.30264 0.34790 3.470 1.0O 11 0.0 0.21293 0.38498 2.738 1.0O 12 0.0 0.39091 0.38932 2.954 1.0O 13 0.09025 0.24862 0.08296 4.281 1.0O 14 0.12281 0.41173 0.43988 4.318 1.0O 15 0.08700 0.41300 0.25 5.236 1.0

The refinement indicated that the tetrahedral (Si) sites had vacancies.The N,N -diethyl-3,5-dimethylpiperidinium molecules were refinedas disordered rigid groups.

MEP Melanophlogite

REFINED COMPOSITION: |C8| [Si46O92]Mt. Hamilton, California, U.S.A.

CRYSTAL DATA: Pm3n (No. 223)a = 13.436 A b = 13.436 A c = 13.436 Aα = 90◦ β = 90◦ γ = 90◦



Atom x y z Biso occ

Si 1 0.0 0.3098 0.1142 1.71 1.0Si 2 0.1826 0.1826 0.1826 1.72 1.0Si 3 0.25 0.0 0.5 1.43 1.0O 1 0.0963 0.2465 0.1360 4.88 1.0O 2 0.0 0.4056 0.1813 4.78 1.0O 3 0.3423 0.0 0.0 2.76 1.0O 4 0.25 0.25 0.25 5.81 1.0C 1 0.25 0.5 0.0 39.37 1.0C 2 0.0 0.0 0.0 13.74 1.0

C1 represents guest molecules N2 and CO2 collapsed to a site.

MERMerlinoite

REFINED COMPOSITION: |Na0.68K5.28Ca1.844Ba0.444(H2O)19.44| [Si22.72Al9.28O64]Cupaello, Italy



REFERENCE: E. Galli, G. Gottardi and D. Pongiluppi,Neues Jahrb. Miner. Monatsh. 1 1–9 (1979).

Atom x y z Biso occ

Na 3 0.5 0.5 0.275 12.0 0.054Na 4 0.390 0.363 0.0 12.0 0.022Na 5 0.333 0.380 0.0 12.0 0.036K 1 0.156 0.5 0.0 3.8 0.419K 2 0.5 0.192 0.0 3.8 0.419K 3 0.5 0.5 0.275 12.0 0.09K 4 0.390 0.363 0.0 12.0 0.136K 5 0.333 0.380 0.0 12.0 0.06Ca 3 0.5 0.5 0.275 12.0 0.147Ca 4 0.390 0.363 0.0 12.0 0.059Ca 5 0.333 0.380 0.0 12.0 0.098Ba 1 0.156 0.5 0.0 3.8 0.041Ba 2 0.5 0.192 0.0 3.8 0.041Ba 3 0.5 0.5 0.275 12.0 0.009Ba 4 0.390 0.363 0.0 12.0 0.004Ba 5 0.333 0.380 0.0 12.0 0.006Si 1 0.1097 0.2473 0.1563 1.0 0.71Si 2 0.2816 0.1102 0.1596 1.0 0.71Al 1 0.1097 0.2473 0.1563 1.0 0.29Al 2 0.2816 0.1102 0.1596 1.0 0.29O 1 0.1235 0.2830 0.0 1.8 1.0O 2 0.3089 0.1177 0.0 1.5 1.0O 3 0.0 0.2155 0.1839 1.8 1.0O 4 0.2767 0.0 0.2096 1.9 1.0O 5 0.1765 0.1568 0.1924 2.3 1.0O 6 0.3661 0.1638 0.2454 2.6 1.0H2O 1 0.5 0.0 0.0 6.8 1.0H2O 2 0.0 0.5 0.158 4.9 1.0H2O 3 0.385 0.5 0.159 9.8 0.6H2O 4 0.5 0.5 0.0 3.7 0.2H2O 5 0.459 0.274 0.0 5.8 0.2H2O 6 0.251 0.464 0.0 3.6 0.21H2O 7 0.446 0.420 0.062 11.2 0.2H2O 8 0.443 0.5 0.5 12.0 0.44

MER Barium Chloroaluminosilicate

REFINED COMPOSITION: |(Ba3Cl2O)4| [Si21.34Al10.66O64]



REFERENCE: L. P. Solov’eva, S. V. Borisov and V. V. Bakakin,Sov. Phys. – Crystallogr. 16 1035–1038 (1972).

Atom x y z Biso occ

Ba 1 0.1816 0.5 0.5 5.0 1.0Ba 2 0.5 0.5 0.288 14.5 1.0Cl 0.375 0.375 0.5 5.1 1.0O2− 0.0 0.5 0.25 4.8 1.0Si 0.2386 0.3917 0.157 2.2 0.6667Al 0.2386 0.3917 0.157 2.2 0.3333O 1 0.193 0.390 0.0 3.6 1.0O 2 0.350 0.350 0.156 4.6 1.0O 3 0.158 0.342 0.25 7.0 1.0O 4 0.257 0.5 0.213 3.3 1.0

MFITetrapropylammonium ZSM-5


CRYSTAL DATA: Pnma (No. 62)a = 20.022 A b = 19.899 A c = 13.383 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: H. van Koningsveld, H. van Bekkum and J. C. Jansen,Acta Cryst. B43 127–132 (1987).

Atom x y z Biso occ

Si 1 0.42238 0.05650 -0.33598 1.39 1.0Si 2 0.30716 0.02772 -0.18930 1.63 1.0Si 3 0.27911 0.06127 0.03120 1.52 1.0Si 4 0.12215 0.06298 0.02670 1.43 1.0Si 5 0.07128 0.02722 -0.18551 1.26 1.0Si 6 0.18641 0.05896 -0.32818 1.41 1.0Si 7 0.42265 -0.17250 -0.32718 1.46 1.0Si 8 0.30778 -0.13016 -0.18548 1.57 1.0Si 9 0.27554 -0.17279 0.03109 1.39 1.0Si 10 0.12058 -0.17310 0.02979 1.52 1.0Si 11 0.07044 -0.13037 -0.18200 1.52 1.0Si 12 0.18706 -0.17327 -0.31933 1.58 1.0O 1 0.3726 0.0534 -0.2442 3.87 1.0O 2 0.3084 0.0587 -0.0789 3.16 1.0O 3 0.2007 0.0592 0.0289 5.05 1.0O 4 0.0969 0.0611 -0.0856 3.47 1.0O 5 0.1149 0.0541 -0.2763 2.68 1.0O 6 0.2435 0.0553 -0.2460 3.63 1.0O 7 0.3742 -0.1561 -0.2372 3.71 1.0O 8 0.3085 -0.1552 -0.0728 3.47 1.0O 9 0.1980 -0.1554 0.0288 3.16 1.0O 10 0.0910 -0.1614 -0.0777 4.58 1.0O 11 0.1169 -0.1578 -0.2694 3.79 1.0O 12 0.2448 -0.1594 -0.2422 4.34 1.0O 13 0.3047 -0.0510 -0.1866 5.61 1.0O 14 0.0768 -0.0519 -0.1769 3.71 1.0O 15 0.4161 0.1276 -0.3896 3.47 1.0O 16 0.4086 -0.0017 -0.4136 3.63 1.0O 17 0.4020 -0.1314 -0.4239 3.16 1.0O 18 0.1886 0.1298 -0.3836 2.84 1.0O 19 0.1940 0.0007 -0.4082 3.55 1.0O 20 0.1951 -0.1291 -0.4190 3.4 1.0O 21 -0.0037 0.0502 -0.2080 2.61 1.0O 22 -0.0040 -0.1528 -0.2078 3.16 1.0O 23 0.4192 -0.2500 -0.3540 3.47 1.0O 24 0.1884 -0.2500 -0.3538 2.68 1.0O 25 0.2883 -0.2500 0.0579 2.61 1.0O 26 0.1085 -0.2500 0.0611 2.37 1.0N 0.4762 0.250 -0.1095 5.45 1.0C 1 0.495 0.233 -0.221 4.58 0.3

continued . . .

MFI Tetrapropylammonium ZSM-5


Atom x y z Biso occ

C 2 0.568 0.250 -0.241 7.66 0.6C 3 0.578 0.250 -0.362 7.74 0.6C 4 0.399 0.274 -0.100 5.05 0.3C 5 0.355 0.228 -0.150 10.74 0.3C 6 0.278 0.250 -0.147 8.21 0.6C 7 0.505 0.319 -0.089 5.13 0.3C 8 0.473 0.334 -0.019 6.55 0.3C 9 0.496 0.412 0.045 6.95 0.5C 10 0.508 0.199 -0.032 9.55 0.5C 11 0.490 0.124 -0.045 8.61 0.5C 12 0.529 0.088 0.033 5.68 0.5C 21 0.413 0.229 -0.166 6.55 0.2C 22 0.355 0.272 -0.150 10.74 0.2C 23 0.285 0.250 -0.195 8.69 0.4C 24 0.534 0.279 -0.185 5.29 0.2C 25 0.546 0.225 -0.263 5.76 0.2C 26 0.601 0.250 -0.332 10.19 0.4C 27 0.468 0.315 -0.060 4.82 0.2C 28 0.516 0.335 0.020 4.82 0.2

MFIZSM-5, Calcined


CRYSTAL DATA: P1 21/n 1 (No. 14; unique axis b, cell choice 2)a = 19.879 A b = 20.107 A c = 13.369 Aα = 90◦ β = 90.67◦ γ = 90◦


REFERENCE: H. van Koningsveld, J. C. Jansen and H. van Bekkum,Zeolites 10 235–242 (1990).

Atom x y z Biso occ

Si 1 0.05546 0.42056 -0.31990 0.26 1.0Si 2 0.03090 0.31368 -0.16358 0.29 1.0Si 3 0.06249 0.27960 0.05346 0.29 1.0Si 4 0.06233 0.12395 0.03674 0.29 1.0Si 5 0.02804 0.07678 -0.15797 0.26 1.0Si 6 0.05585 0.19556 -0.31331 0.26 1.0Si 7 -0.17148 0.42542 -0.31930 0.29 1.0Si 8 -0.12653 0.31225 -0.17388 0.29 1.0Si 9 -0.17590 0.27325 0.03597 0.26 1.0Si 10 -0.17634 0.11895 0.03436 0.29 1.0Si 11 -0.12939 0.07156 -0.17516 0.29 1.0Si 12 -0.16528 0.19079 -0.31408 0.29 1.0Si 13 0.44297 0.42837 -0.33456 0.26 1.0Si 14 0.47305 0.31237 -0.18814 0.29 1.0Si 15 0.43889 0.27704 0.02940 0.29 1.0Si 16 0.43563 0.12155 0.03380 0.29 1.0Si 17 0.47315 0.07096 -0.17844 0.26 1.0Si 18 0.43778 0.18737 -0.31743 0.29 1.0Si 19 0.67204 0.42389 -0.31417 0.26 1.0Si 20 0.63130 0.31278 -0.16836 0.32 1.0Si 21 0.66892 0.27312 0.04608 0.29 1.0Si 22 0.67007 0.11867 0.03868 0.29 1.0Si 23 0.63082 0.07268 -0.17757 0.32 1.0Si 24 0.68070 0.19446 -0.29789 0.26 1.0O 1 0.0588 0.3779 -0.2194 0.79 1.0O 2 0.0662 0.3106 -0.0564 0.63 1.0O 3 0.0472 0.2018 0.0465 0.92 1.0O 4 0.0671 0.1032 -0.0784 0.63 1.0O 5 0.0443 0.1230 -0.2693 0.66 1.0O 6 0.0477 0.2483 -0.2248 0.89 1.0O 7 -0.1533 0.3769 -0.2289 0.89 1.0O 8 -0.1669 0.3050 -0.0725 0.79 1.0O 9 -0.1558 0.1960 0.0316 0.76 1.0O 10 -0.1689 0.0885 -0.0753 0.89 1.0O 11 -0.1511 0.1208 -0.2630 0.87 1.0O 12 -0.1376 0.2483 -0.2424 0.95 1.0O 13 -0.0485 0.3189 -0.1490 1.03 1.0O 14 -0.0509 0.0781 -0.1529 0.74 1.0O 15 0.1253 0.4145 -0.3771 0.82 1.0O 16 -0.0041 0.3923 -0.3892 0.87 1.0

continued . . .

MFI ZSM-5, Calcined


Atom x y z Biso occ

O 17 -0.1340 0.4022 -0.4186 0.71 1.0O 18 0.1298 0.2003 -0.3583 0.63 1.0O 19 0.0026 0.2099 -0.4008 0.82 1.0O 20 -0.1275 0.1948 -0.4188 0.68 1.0O 21 0.0515 0.0032 -0.2041 0.58 1.0O 22 -0.1475 -0.0023 -0.2098 0.68 1.0O 23 -0.2501 0.4239 -0.3413 0.82 1.0O 24 -0.2435 0.1987 -0.3356 0.68 1.0O 25 -0.2525 0.2822 0.0676 0.61 1.0O 26 -0.2526 0.1101 0.0697 0.53 1.0O 27 0.4503 0.3799 -0.2408 0.92 1.0O 28 0.4480 0.3143 -0.0754 0.68 1.0O 29 0.4318 0.1991 0.0094 0.82 1.0O 30 0.4478 0.0812 -0.0669 0.84 1.0O 31 0.4351 0.1206 -0.2527 0.63 1.0O 32 0.4401 0.2505 -0.2451 0.79 1.0O 33 0.6590 0.3797 -0.2169 0.74 1.0O 34 0.6459 0.3148 -0.0508 0.58 1.0O 35 0.6513 0.1961 0.0270 0.68 1.0O 36 0.6559 0.0822 -0.0653 0.92 1.0O 37 0.6678 0.1232 -0.2504 0.92 1.0O 38 0.6694 0.2497 -0.2144 0.84 1.0O 39 0.5530 0.3054 -0.1913 1.05 1.0O 40 0.5519 0.0851 -0.1834 0.84 1.0O 41 0.3714 0.4186 -0.3885 0.89 1.0O 42 0.5015 0.4154 -0.4135 0.76 1.0O 43 0.6320 0.3938 -0.4087 0.74 1.0O 44 0.3711 0.1900 -0.3847 0.66 1.0O 45 0.5032 0.1862 -0.3863 0.74 1.0O 46 0.6326 0.2074 -0.3914 0.92 1.0O 47 0.4576 -0.0039 -0.2104 0.66 1.0O 48 0.6481 -0.0013 -0.2120 0.71 1.0

MFSZSM-57, SiO2 Framework


CRYSTAL DATA: Imm2 (No. 44)a = 7.4510 A b = 14.1711 A c = 18.767 Aα = 90◦ β = 90◦ γ = 90◦

DLS76 refinement.

REFERENCE: J. L. Schlenker, J. B. Higgins and E. W. Valyocsik,Zeolites 10 293–296 (1990).

Atom x y z

Si 1 0.0 0.0 0.0Si 2 0.0 0.2043 0.9486Si 3 0.0 0.6998 0.7986Si 4 0.2941 0.0 0.1176Si 5 0.2057 0.1963 0.1848Si 6 0.2939 0.7017 0.0427Si 7 0.0 0.5 0.8668Si 8 0.2945 0.5 0.9848O 1 0.0 0.0915 0.9503O 2 0.1754 0.0 0.0473O 3 0.0 0.2369 0.8678O 4 0.1755 0.2405 0.9876O 5 0.8255 0.7253 0.7524O 6 0.0 0.5912 0.8173O 7 0.5 0.0 0.0946O 8 0.2531 0.0916 0.1632O 9 0.0 0.2031 0.2079O 10 0.2441 0.2688 0.1221O 11 0.5 0.7234 0.0276O 12 0.5 0.5 0.9611O 13 0.1748 0.5 0.9149O 14 0.2570 0.5917 0.0319

MON Montesommaite

REFINED COMPOSITION: |K4.24(H2O)4| [Si11.3Al4.7O32]Pollena, Mt. Somma-Vesuvius, Italy


X-ray powder refinement of idealized substructure, R = 0.10

REFERENCE: R. C. Rouse, P. J. Dunn, J. D. Grice, J. L. Schlenker and J. B. Higgins,American Mineralogist 75 1415–1420 (1990).

Atom x y z Biso occ

K 0.000 0.000 0.500 1.97 0.53Si 0.000 0.463 0.090 0.39 0.706Al 0.000 0.463 0.090 0.39 0.294O 1 0.000 0.250 0.116 1.18 1.0O 2 0.186 0.436 0.875 1.18 1.0O 3 0.000 0.000 0.000 1.18 1.0H2O 0.000 0.250 0.342 1.18 0.5

MORMordenite

REFINED COMPOSITION: |Na8(H2O)25| [Si40Al8O96]Challis, Idaho, U.S.A.



REFERENCE: V. Gramlich,PhD dissertation, ETH, Zurich, (1971).And V. Gramlich, Private communication.

Atom x y z Biso occ

Na 1 0.0 0.5 0.0 2.50 1.0Na 2 0.0 0.4335 0.75 4.95 1.0Si 1 0.19897 0.42771 0.5418 1.37 1.0Si 2 0.19656 0.19092 0.5454 1.49 1.0Si 3 0.0871 0.3840 0.25 1.21 0.5Si 4 0.0866 0.2280 0.25 1.32 0.5Al 3 0.0871 0.3840 0.25 1.21 0.5Al 4 0.0866 0.2280 0.25 1.32 0.5O 1 0.1232 0.4170 0.4292 3.09 1.0O 2 0.1226 0.1946 0.4262 2.95 1.0O 3 0.2632 0.3776 0.4887 3.63 1.0O 4 0.0974 0.3057 0.25 3.61 1.0O 5 0.1694 0.1946 0.75 3.62 1.0O 6 0.1769 0.4212 0.75 2.66 1.0O 7 0.2324 0.5 0.5 2.35 1.0O 8 0.25 0.25 0.5 4.72 1.0O 9 0.0 0.4071 0.25 2.17 1.0O 10 0.0 0.2061 0.25 3.00 1.0H2O 1 0.040 0.303 0.75 16.32 0.5H2O 2 0.0 0.181 0.75 13.84 1.0H2O 3 0.0 0.094 0.502 21.32 1.0H2O 4 0.109 0.030 0.75 17.5 1.0H2O 5 0.0 -0.009 0.25 22.84 0.25

MOR Maricopaite

REFINED COMPOSITION: |Pb10.68(H2O)26.5O4| [Si36.38Al11.02O100]Moon Anchor Mine, Tonopah, AZ, U.S.A.

CRYSTAL DATA: Cm2m (No. 38; bca setting)a = 19.432 A b = 19.702 A c = 7.538 Aα = 90◦ β = 90◦ γ = 90◦



Atom x y z Biso occ

Pb 1 0.0975 0.1044 0.500 2.25 0.83Pb 2 0.0977 0.8988 0.0 1.83 0.245Pb 3 0.0 0.9662 0.2377 2.29 0.622Pb 4 0.0 0.0359 0.2516 3.4 0.175Si 1 0.1790 0.2907 0.2956 1.17 0.736Si 2 0.3211 0.2169 0.2043 1.38 0.735Si 3 0.2546 0.9283 0.2076 1.18 0.736Si 4 0.1395 0.9238 0.500 1.0 0.736Si 5 0.1342 0.0843 0.0 1.1 1.0Si 6 0.2554 0.0779 0.2885 1.26 0.736Si 7 0.0794 0.2311 0.0 1.6 0.736Si 8 0.0817 0.7763 0.500 1.1 0.736Al 1 0.1790 0.2907 0.2956 1.17 0.264Al 2 0.3211 0.2169 0.2043 1.38 0.264Al 3 0.2546 0.9283 0.2076 1.18 0.264Al 4 0.1395 0.9238 0.500 1.0 0.234Al 6 0.2554 0.0779 0.2885 1.26 0.234Al 7 0.0794 0.2311 0.0 1.6 0.234Al 8 0.0817 0.7763 0.500 1.1 0.234O 1 0.1861 0.9200 0.3250 2.9 1.0O 2 0.0810 0.144 0.0 2.3 1.0O 3 0.0932 0.9916 0.500 3.8 1.0O 4 0.0862 0.8586 0.500 1.4 1.0O 5 0.3443 0.2307 0.0 2.2 1.0O 6 0.1820 0.0864 0.1811 1.7 1.0O 7 0.3134 0.1342 0.2417 2.3 1.0O 8 0.1607 0.2769 0.500 3.5 1.0O 9 0.0863 0.0162 0.0 2.4 1.0O 10 0.1865 0.3708 0.2641 2.0 1.0O 11 0.2500 0.2536 0.2506 3.6 1.0O 12 0.1164 0.2604 0.1761 3.0 1.0O 13 0.3832 0.2424 0.3218 3.3 1.0O 14 0.2897 0.0030 0.2460 2.5 1.0O 15 0.2278 0.9219 0.0 2.5 1.0O 16 0.2340 0.0838 0.500 2.0 1.0O 17 0.0 0.2530 0.0 2.5 1.0O 18 0.0 0.7557 0.500 2.6 1.0H2O 19 0.0 0.0828 0.3098 2.2 0.925H2O 20 0.0 0.231 0.500 2.6 0.95

continued . . .

MORMaricopaite


Atom x y z Biso occ

H2O 21 0.085 0.561 0.0 2.6 0.6H2O 22 0.0 0.501 0.099 2.6 0.5H2O 23 0.061 0.594 0.500 2.6 0.275H2O 24 0.077 0.456 0.241 2.6 0.175H2O 25 0.074 0.457 0.385 2.6 0.2H2O 26 0.079 0.871 0.0 2.6 0.575H2O 27 0.070 0.151 0.500 2.6 0.175H2O 28 0.0 0.933 0.215 2.6 0.475

Interrupted mordenite framework. O3 and O9 are terminal oxygens,where the framework is not fully connected.

MOZ ZSM-10



X-ray Rietveld refinement, wRp = 0.16, RF2 = 0.142

REFERENCE: J. B. Higgins and K. D. Schmitt, Zeolites 16 236–244 (1996);M. D. Foster, M. M. J. Treacy, J. B. Higgins, I. Rivin, E. Balkovskyand K. H. Randall, Appl. Cryst. 38 1028–1030 (2005);D. L. Dorset, Z. Kristallogr. 221 260–265 (2006).

Atom x y z Biso occ

Si 1 0.2049 0.1516 0.5 1.42 1.0Si 2 0.2869 0.1951 0.2096 1.42 1.0Si 3 0.3827 0.2885 0.2127 1.42 1.0Si 4 0.4245 0.3702 0.5 1.42 1.0Si 5 0.5205 0.3720 0.5 1.42 1.0Si 6 0.4804 0.2898 0.2120 1.42 1.0O 1 0.1559 0.1559 0.5 1.97 1.0O 2 0.1868 0.0934 0.5 1.97 1.0O 3 0.2372 0.1781 0.3244 1.97 1.0O 4 0.3005 0.1503 0.2240 1.97 1.0O 5 0.2779 0.2025 0.0 1.97 1.0O 6 0.3307 0.2454 0.2885 1.97 1.0O 7 0.3802 0.2970 0.0 1.97 1.0O 8 0.3976 0.3384 0.3235 1.97 1.0O 9 0.4325 0.2725 0.2536 1.97 1.0O 10 0.4184 0.4184 0.5 1.97 1.0O 11 0.4823 0.3866 0.5 1.97 1.0O 12 0.5793 0.4207 0.5 1.97 1.0O 13 0.5176 0.3386 0.3254 1.97 1.0O 14 0.4890 0.2445 0.2621 1.97 1.0O 15 0.4903 0.3015 0.0 1.97 1.0

MSEMCM-68


CRYSTAL DATA: P 42/m nm (No. 136)a = 18.286 A b = 18.286 A c = 20.208 Aα = 90◦ β = 90◦ γ = 90◦

X-ray Rietveld refinement, Rp = 0.14, RF2 = 0.14

REFERENCE: D. L. Dorset, S. C. Weston and S. S. Dhingra,J. Phys. Chem. B 110 2045–2050 (2006).

Atom x y z Biso occ

Si 1 0.1298 0.7543 0.11 1.02 1.0Si 2 0.1322 0.7487 0.2685 1.02 1.0Si 3 0.0306 0.2148 0.074 1.02 1.0Si 4 0.13 0.253 0.1859 1.02 1.0Si 5 0.0294 0.2174 0.3124 1.02 1.0Si 6 0.0622 0.0622 0.1402 1.02 1.0Si 7 0.0622 0.0622 0.2856 1.02 1.0Si 8 0.1331 0.254 0.4269 1.02 1.0O 1 0.1199 0.7447 0.1892 1.63 1.0O 2 0.0512 0.7521 0.0735 1.63 1.0O 3 0.1801 0.6884 0.0823 1.63 1.0O 4 0.168 0.832 0.0944 1.63 1.0O 5 0.0532 0.753 0.3043 1.63 1.0O 6 0.1746 0.6762 0.2935 1.63 1.0O 7 0.1794 0.8206 0.2869 1.63 1.0O 8 0.0815 0.2659 0.1202 1.63 1.0O 9 0.0641 0.2161 0.0 1.63 1.0O 10 0.0293 0.1317 0.1009 1.63 1.0O 11 0.187 0.187 0.1732 1.63 1.0O 12 0.0751 0.231 0.2452 1.63 1.0O 13 0.0283 0.1303 0.3264 1.63 1.0O 14 0.0691 0.2597 0.3727 1.63 1.0O 15 0.0 0.0 0.1464 1.63 1.0O 16 0.0886 0.0886 0.213 1.63 1.0O 17 0.0 0.0 0.2785 1.63 1.0O 18 0.1919 0.1919 0.4079 1.63 1.0O 19 0.1007 0.2412 0.5 1.63 1.0

MSO MCM-61

REFINED COMPOSITION: |K9.38C12H48| [Si36O78]



REFERENCE: D. F. Shantz, A. Burton and R. F. Lobo,Microporous and Mesoporous Materials 31 61–73 (1999).

Atom x y z Biso occ

Si 1 -0.0002 0.1797 0.2725 0.58 1.0Si 2 0.0002 0.1795 0.1129 0.58 1.0Si 3 0.0 0.3073 0.0 0.58 1.0O 1 0.093 0.1861 0.295 1.43 1.0O 2 0.9232 0.0768 0.2889 1.43 1.0O 3 0.9845 0.2469 0.32 1.43 1.0O 4 -0.0012 0.2058 0.1927 1.43 1.0O 5 0.0755 0.151 0.1005 1.43 1.0O 6 0.0205 0.2648 0.0667 1.43 1.0O 7 0.9044 0.0955 0.09 1.43 1.0K 1 -0.6667 -0.3333 0.2355 6.59 0.5K 2 0.0 0.0 0.0057 6.9 0.344K 3 -0.6667 -0.3333 0.2829 1.7 0.167C 0.5504 -0.2694 0.1662 10.0 1.0O 8 -0.5198 -0.3338 0.1231 9.86 0.5H -0.5346 -0.0692 0.1486 12.0 4.0

Typographic errors in the published coordinates for O2 and O6have been corrected.

MTFMCM-35



X-ray synchrotron Rietveld refinement, Rp = 0.0729, Rwp = 0.0916, Rb = 0.0302

REFERENCE: P. A. Barrett, M.-J. Diaz-Cabanas and M. A. Camblor,Chemistry of Materials 11 2919–2927 (1999).

Atom x y z Biso occ

Si 1 0.0 0.08356 0.0 0.41 1.0Si 2 0.191 0.15359 -0.1667 1.25 1.0Si 3 -0.0048 0.22858 -0.2913 0.29 1.0Si 4 -0.1271 0.04862 -0.371 0.73 1.0Si 5 -0.3049 0.19803 -0.1822 0.47 1.0Si 6 -0.3391 0.12303 -0.4749 0.24 1.0O 1 -0.0756 0.05227 -0.1609 1.62 1.0O 2 -0.5 0.10684 -0.5 1.62 1.0O 3 0.0 0.23506 -0.5 1.62 1.0O 4 0.0 0.06345 -0.5 1.62 1.0O 5 0.2923 0.17606 -0.0075 1.62 1.0O 6 -0.2593 0.08102 -0.4062 1.62 1.0O 7 0.0624 0.269 -0.1981 1.62 1.0O 8 0.1281 0.11111 -0.0804 1.62 1.0O 9 -0.2807 0.13899 -0.6705 1.62 1.0O 10 0.0798 0.18695 -0.2331 1.62 1.0O 11 -0.1766 0.0 -0.4029 1.62 1.0O 12 -0.1646 0.22635 -0.223 1.62 1.0O 13 -0.3268 0.16144 -0.3269 1.62 1.0

MTN Dodecasil 3C

REFINED COMPOSITION: |N24| [Si136O272]




Atom x y z Biso occ

Si 1 0.0676 0.0676 0.3700 2.04 1.0Si 2 0.2164 0.2164 0.2164 1.53 1.0Si 3 0.125 0.125 0.125 1.42 1.0O 1 0.0932 0.4065 -0.0001 4.97 1.0O 2 0.0433 0.2995 0.4505 6.24 1.0O 3 0.125 0.3734 0.125 4.29 1.0O 4 0.1704 0.1704 0.1704 9.32 1.0N 1 0.0 0.0 0.0 20.0 1.0N 2 0.625 0.625 0.625 20.0 1.0

MTTAmmonium Fluoride ZSM-23

REFINED COMPOSITION: |(NH4F)1.72| [Si24O48]



REFERENCE: B. Marler, C. Deroche, H. Gies, C. A. Fyfe, H. Grondey, G. T. Kokotailo,Y. Feng, S. Ernst, J. Weitkamp and D. E. Cox,J. Appl. Cryst. 26 636–644 (1993).

Atom x y z Biso occ

Si 1 -0.009 -0.02 0.4578 1.10 1.0Si 2 0.726 -0.082 0.425 1.10 1.0Si 3 0.228 -0.112 0.384 1.10 1.0Si 4 0.312 0.00 0.251 1.10 1.0Si 5 0.476 0.503 0.249 1.10 1.0Si 6 0.346 0.390 0.434 1.10 1.0Si 7 0.600 0.417 0.378 1.10 1.0Si 8 -0.010 -0.10 0.0422 1.10 1.0Si 9 0.726 -0.012 0.077 1.10 1.0Si 10 0.232 -0.077 0.118 1.10 1.0Si 11 0.355 0.424 0.063 1.10 1.0Si 12 0.603 0.487 0.120 1.10 1.0O 1 0.012 0.27 0.487 1.03 1.0O 2 0.866 -0.02 0.422 1.03 1.0O 3 0.093 -0.09 0.408 1.03 1.0O 4 0.683 -0.04 0.495 1.03 1.0O 5 0.655 0.122 0.381 1.03 1.0O 6 0.231 -0.05 0.311 1.03 1.0O 7 0.317 0.085 0.419 1.03 1.0O 8 0.368 0.292 0.254 1.03 1.0O 9 0.564 0.49 0.308 1.03 1.0O 10 0.486 0.44 0.423 1.03 1.0O 11 0.866 -0.07 0.079 1.03 1.0O 12 0.100 -0.05 0.089 1.03 1.0O 13 0.679 -0.03 0.008 1.03 1.0O 14 0.226 -0.03 0.192 1.03 1.0O 15 0.553 0.43 0.189 1.03 1.0O 16 0.497 0.46 0.071 1.03 1.0O 17 0.708 0.28 0.103 1.03 1.0O 18 0.322 0.130 0.086 1.03 1.0O 19 -0.001 0.11 -0.014 1.03 1.0O 20 0.701 0.621 0.401 1.03 1.0O 21 0.269 0.584 0.392 1.03 1.0O 22 0.422 0.797 0.246 1.03 1.0O 23 0.652 0.786 0.120 1.03 1.0O 24 0.285 0.632 0.106 1.03 1.0F 0.938 0.55 0.215 31.58 0.86N 0.89 0.06 0.261 31.58 0.86

MTW ZSM-12, Calcined




REFERENCE: C. A. Fyfe, H. Gies, G. T. Kokotailo, B. Marler and D. E. Cox,J. Phys. Chem. 94 3718–3721 (1990).

Atom x y z

Si 1 0.4402 0.5319 0.4129Si 2 0.0678 -0.0708 0.4589Si 3 0.3754 0.0320 0.3609Si 4 0.1338 0.4218 0.4484Si 5 0.2836 0.0822 0.4275Si 6 0.2139 0.5853 0.3832Si 7 0.2869 0.0100 0.2463O 1 0.4280 0.5053 0.4730O 2 0.5034 0.4725 0.4225O 3 0.4245 0.8220 0.3872O 4 0.3301 -0.0045 0.3956O 5 0.0841 -0.3624 0.4513O 6 0.3452 -0.0218 0.2972O 7 0.2504 0.2441 0.2629O 8 0.2602 0.3716 0.4078O 9 0.1554 0.5101 0.3911O 10 0.1853 0.4480 0.5026O 11 0.2997 0.0905 0.1886O 12 0.3995 0.3370 0.3702O 13 0.1069 0.1372 0.4394O 14 0.2343 0.8828 0.4093

Overall thermal parameter Biso = 0.01 was used in the refinement.

MWWITQ-1, Calcined (Siliceous MCM-22)



X-ray Rietveld refinement. Rexp = 0.103, Rwp = 0.159, RF = 0.065

REFERENCE: M. A. Camblor, A. Corma, M.-J. Diaz-Cabanas and Ch. Baerlocher,J. Phys. Chem. B 102 44–51 (1998).

Atom x y z Biso occ

Si 1 0.6667 0.3333 0.0633 1.10 1.0Si 2 0.4685 0.2342 0.1356 1.10 1.0Si 3 0.3904 0.0000 0.1607 1.10 1.0Si 4 0.6667 0.3333 0.2108 1.10 1.0Si 5 0.6667 0.3333 0.3404 1.10 1.0Si 6 0.3895 0.0000 0.2872 1.10 1.0Si 7 0.4215 0.2108 0.3470 1.10 1.0Si 8 0.2544 0.1272 0.4407 1.10 1.0O 1 0.6667 0.3333 0.0000 1.50 1.0O 2 0.5411 0.2705 0.0822 1.50 1.0O 3 0.3942 0.1048 0.1348 1.50 1.0O 4 0.5453 0.2726 0.1882 1.50 1.0O 5 0.6667 0.3333 0.2755 1.50 1.0O 6 0.3763 0.0000 0.2239 1.50 1.0O 7 0.5000 0.0000 0.1449 1.50 1.0O 8 0.5000 0.0000 0.3021 1.50 1.0O 9 0.3945 0.1063 0.3116 1.50 1.0O 10 0.5469 0.2735 0.3638 1.50 1.0O 11 0.3536 0.1768 0.4014 1.50 1.0O 12 0.1835 0.0000 0.4300 1.50 1.0O 13 0.3017 0.1508 0.5000 1.50 1.0

NAB Nabesite

REFINED COMPOSITION: |Na8(H2O)16| [Si16Be4O40]Kvanefjeld Plateau, northwest Ilimaussaq alkaline complex, S. Greenland.



REFERENCE: O. V. Petersen, G. Giester, F. Brandstatter and G. Niedermayr,Canadian Mineralogist 40 173–181 (2002).

Atom x y z Biso occ

Si 1 0.08393 0.35478 0.06419 0.59 1.0Si 2 0.39961 0.36283 0.44722 0.60 1.0Si 3 0.29128 0.14866 0.03408 0.66 1.0Si 4 0.20023 0.14856 0.47842 0.62 1.0Be 0.24232 0.26224 0.25678 0.66 1.0O 1 0.11930 0.34407 0.19374 0.96 1.0O 2 0.12092 0.49694 0.01041 1.35 1.0O 3 -0.07946 0.32732 0.04934 1.13 1.0O 4 0.16731 0.24433 -0.00928 0.89 1.0O 5 0.34741 0.36353 0.32118 0.96 1.0O 6 0.56197 0.32609 0.44915 1.26 1.0O 7 0.31580 0.25353 0.52237 0.90 1.0O 8 0.32791 0.17820 0.16101 1.02 1.0O 9 0.24094 -0.00340 0.01423 1.09 1.0O 10 0.17608 0.15933 0.34733 1.17 1.0Na 1 0.02823 0.19660 0.81506 2.27 1.0Na 2 0.37372 0.25369 0.73922 3.53 1.0O 11 0.22056 0.07549 0.76168 2.19 1.0O 12 0.16099 0.37520 0.73814 2.50 1.0O 13 -0.05881 0.02080 0.94934 2.99 1.0O 14 0.47439 0.44438 0.80888 3.11 1.0H 1 0.249 0.009 0.807 5.21 1.0H 2 0.209 0.049 0.689 5.29 1.0H 3 0.171 0.442 0.759 3.55 1.0H 4 0.095 0.383 0.699 4.66 1.0H 5 -0.077 0.029 1.0225 3.71 1.0H 6 0.034 0.011 0.959 8.05 1.0H 7 0.446 0.527 0.788 5.84 1.0H 8 0.554 0.404 0.765 5.92 1.0

NATNatrolite

REFINED COMPOSITION: |Na16(H2O)16| [Si24Al16O80]Aussig, Bohemia



REFERENCE: W. M. Meier,Z. Kristallogr. 113 430–444 (1960).

Atom x y z Biso occ

Na 0.2208 0.0305 0.6120 2.00 1.0Si 1 0.0 0.0 0.0 1.07 1.0Si 2 0.1532 0.2112 0.6181 1.0 1.0Al 0.0376 0.0936 0.6119 1.12 1.0O 1 0.0227 0.0683 0.8594 1.81 1.0O 2 0.0704 0.1824 0.6011 1.10 1.0O 3 0.0986 0.0346 0.4997 1.55 1.0O 4 0.2063 0.1526 0.7166 1.24 1.0O 5 0.1799 0.2272 0.3860 1.83 1.0H2O 0.0564 0.1893 0.1085 2.50 1.0

NAT Gonnardite

REFINED COMPOSITION: |Na6.528Ca1.472(H2O)12H8| [Si10.25Al9.75O40]Tvedalen, Langesund District, Norway

CRYSTAL DATA: I42d (No. 122)a = 13.21 A b = 13.21 A c = 6.622 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: F. Mazzi, A. O. Larsen, G. Gottardi and E. Galli,Neues Jarhb. Mineral. Monatsh. 219–228 (1986).

Atom x y z Biso occ

Na+ 0.3084 0.2500 0.1250 2.35 0.816Ca2+ 0.3084 0.2500 0.1250 2.35 0.184Si 0.0 0.0 0.0 0.84 0.284Si4+ 0.0 0.0 0.0 0.84 0.29Si 0.1332 0.0536 0.3789 0.78 0.292Si4+ 0.1332 0.0536 0.3789 0.78 0.205Al 0.0 0.0 0.0 0.84 0.189Al3+ 0.0 0.0 0.0 0.84 0.237Al 0.1332 0.0536 0.3789 0.78 0.238Al3+ 0.1332 0.0536 0.3789 0.78 0.265O 0.25 0.1037 0.375 1.16 0.271O2− 0.25 0.1037 0.375 1.16 0.729O 0.0917 0.4497 0.1094 1.71 0.271O2− 0.0917 0.4497 0.1094 1.71 0.729O 0.4369 0.3674 0.0210 1.64 0.271O2− 0.4369 0.3674 0.0210 1.64 0.729H2O 0.2500 0.3652 0.3750 3.36 1.0H2O 0.1280 0.2434 0.0545 6.02 0.25H 0.2500 0.4272 0.3750 0.11 1.0

Occupancy of second Si4+ site has been corrected from 0.265 to 0.205.

NATMesolite

REFINED COMPOSITION: |Na16Ca16(H2O)64| [Si72Al48O240]Poona, India



REFERENCE: G. Artioli, J. V. Smith and J. J. Pluth,Acta Cryst. C42 937–942 (1986).

Atom x y z Biso occ

Na 0.96736 0.76089 0.63172 1.48 1.0Ca 0.22807 0.82737 0.88068 0.91 1.0Si 1 0.75000 0.75000 0.00000 0.55 1.0Si 2 0.15499 0.76432 0.87210 0.48 1.0Si 3 0.90188 0.81979 0.65040 0.50 1.0Si 4 0.08794 0.84688 0.65213 0.52 1.0Si 5 0.00435 0.83180 0.27740 0.53 1.0Al 1 0.78689 0.78025 0.61310 0.50 1.0Al 2 0.03630 0.80211 0.89287 0.52 1.0Al 3 0.95155 0.86233 0.89294 0.51 1.0O 1 0.76818 0.77289 0.86482 1.03 1.0O 2 0.02298 0.80800 0.15228 0.98 1.0O 3 0.98498 0.85319 0.12809 1.18 1.0O 4 0.82365 0.80837 0.59682 0.70 1.0O 5 0.07262 0.77385 0.86425 0.72 1.0O 6 0.16644 0.85935 0.67096 0.83 1.0O 7 0.84335 0.75866 0.51529 1.00 1.0O 8 0.09631 0.82339 0.79447 0.93 1.0O 9 0.88933 0.84183 0.80185 0.98 1.0O 10 0.95568 0.80062 0.75319 1.06 1.0O 11 0.20947 0.78462 0.95950 0.86 1.0O 12 0.02193 0.86358 0.71805 1.00 1.0O 13 0.93735 0.82799 0.43383 1.09 1.0O 14 0.18020 0.75695 0.64166 1.06 1.0O 15 0.07638 0.83892 0.41273 0.99 1.0H 11 0.0450 0.7813 0.322 0.7 1.0H 12 0.0881 0.7679 0.420 0.9 1.0H 21 0.7773 0.8037 0.018 1.0 1.0H 22 0.8085 0.8232 0.004 2.7 1.0H 31 0.2274 0.8560 0.247 2.1 1.0H 32 0.1685 0.8438 0.260 1.2 1.0H 41 0.8072 0.8702 0.387 0.6 1.0H 42 0.8615 0.8525 0.359 2.0 1.0O 21 0.05347 0.76839 0.37684 1.67 1.0O 22 0.78167 0.81598 0.07685 2.83 1.0O 23 0.20069 0.84820 0.18338 2.46 1.0O 24 0.81793 0.85687 0.36556 2.05 1.0

NAT Scolecite

REFINED COMPOSITION: |Ca4(H2O)12| [Si12Al8O40]Bombay, India



REFERENCE: J. V. Smith, J. J. Pluth, G. Artioli and F. K. Ross,in Proceedings of the 6th International Zeolite Conference, Reno 1983,Ed. by D. H. Olson and A. Bisio (Butterworth: Guildford) 842–850 (1984).

Atom x y z Biso occ

Ca 0.16217 0.14321 0.05204 0.76 1.0Si 1 0.5 0.37057 0.0 0.44 1.0Si 2 0.22996 0.33185 0.20022 0.43 1.0Si 3 0.54002 0.08259 0.33102 0.42 1.0Al 1 0.93441 0.46209 0.09971 0.45 1.0Al 2 0.35577 0.21663 0.43387 0.43 1.0O 1 0.5425 0.03146 0.4608 0.85 1.0O 2 0.4471 0.04597 0.1174 0.66 1.0O 3 0.3834 0.15127 0.3157 0.77 1.0O 4 0.1153 0.19942 0.4684 0.79 1.0O 5 0.3536 0.29954 0.3584 0.63 1.0O 6 0.0863 0.27133 0.0907 0.80 1.0O 7 0.4143 0.35860 0.1343 0.91 1.0O 8 0.0764 0.39545 0.2150 0.89 1.0O 9 0.7889 0.11007 0.3566 0.82 1.0O 10 0.6603 0.43692 0.0339 0.92 1.0H2O 1 0.8906 0.0803 0.1082 2.22 1.0H2O 2 0.9080 0.3263 0.4407 2.33 1.0H2O 3 0.5787 0.4454 0.3742 1.81 1.0

NESNU-87

REFINED COMPOSITION: |(H2O)20| [Si68O136]



REFERENCE: M. D. Shannon, J. L. Casci, P. A. Cox and S. J. Andrews,Nature 353 417–420 (1991).

Atom x y z

Si 1 0.640 0.1717 0.324Si 2 0.473 0.1970 0.738Si 3 0.028 0.2218 0.500Si 4 0.228 0.0010 0.178Si 5 0.226 0.0039 0.048Si 6 0.412 0.1280 0.108Si 7 0.421 0.1200 0.308Si 8 0.666 0.1299 0.737Si 9 0.654 0.1237 0.924Si 10 0.606 0.1816 0.496Si 11 0.604 0.1838 0.109Si 12 0.456 0.1822 0.536Si 13 0.451 0.1837 0.917Si 14 0.035 0.1941 0.100Si 15 0.038 0.2969 0.406Si 16 0.033 0.2154 0.307Si 17 0.031 0.2175 0.697O 1 0.242 0.009 0.121O 2 0.550 0.2367 0.284O 3 0.870 0.1734 0.434O 4 0.242 0.194 0.614O 5 0.588 0.133 0.349O 6 0.553 0.141 0.228O 7 0.579 0.168 0.741O 8 0.533 0.159 0.818O 9 0.002 0.2773 0.526O 10 -0.006 0.2429 0.423O 11 0.001 0.003 0.083O 12 0.350 0.0523 0.269O 13 0.318 0.0626 0.066O 14 0.675 0.0611 0.757O 15 0.651 0.0530 0.911O 16 0.240 0.163 0.206O 17 0.244 0.1761 0.023O 18 0.880 0.152 0.833O 19 0.873 0.146 1.031O 20 0.508 0.133 0.409O 21 0.535 0.134 0.116O 22 0.533 0.137 0.619O 23 0.563 0.138 0.935

continued . . .

NES NU-87


Atom x y z

O 24 0.521 0.2479 0.440O 25 0.526 0.2499 0.587O 26 0.555 0.163 0.531O 27 0.509 0.167 0.006O 28 0.838 0.178 0.605O 29 0.837 0.180 0.221O 30 0.223 0.176 0.414O 31 0.219 0.176 0.793O 32 0.026 0.2544 0.640O 33 0.037 0.2734 0.345O 34 0.036 0.2360 0.2480H2O 1 0.233 0.037 0.568H2O 2 0.39 0.016 0.917H2O 3 0.08 0.044 0.268H2O 4 -0.03 0.037 0.313H2O 5 0.01 0.065 0.61

No temperature factors or occupancies were reported.

NESGottardiite

REFINED COMPOSITION: |Na66.8|† [Si115.6Al20.4O272]

Mt. Adamson, Northern Victoria Land, Antarctica

CRYSTAL DATA: Cmce (No. 64)a = 13.698 A b = 25.213 A c = 22.660 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: A. Alberti, G. Vezzalini, E. Galli and S. Quartieri,Eur. J. Mineral. 8 69–75 (1996).

Atom x y z Biso occ

Si 1 0.0 0.0804 0.1973 1.18 0.85Si 2 0.0 0.1784 0.2828 1.47 0.85Si 3 0.0 0.2884 0.2204 1.39 0.85Si 4 0.0 0.3841 0.3023 1.34 0.85Si 5 0.0 0.4818 0.2235 1.68 0.85Si 6 0.2102 0.0023 0.316 1.95 0.85Si 7 0.1934 0.0978 0.1253 1.34 0.85Si 8 0.2122 0.1948 0.3174 1.11 0.85Si 9 0.2143 0.3111 0.1846 1.32 0.85Si 10 0.1873 0.4049 0.3752 1.18 0.85Si 11 0.1151 0.0634 0.0009 1.53 0.85Al 1 0.0 0.0804 0.1973 1.18 0.15Al 2 0.0 0.1784 0.2828 1.47 0.15Al 3 0.0 0.2884 0.2204 1.39 0.15Al 4 0.0 0.3841 0.3023 1.34 0.15Al 5 0.0 0.4818 0.2235 1.68 0.15Al 6 0.2102 0.0023 0.316 1.95 0.15Al 7 0.1934 0.0978 0.1253 1.34 0.15Al 8 0.2122 0.1948 0.3174 1.11 0.15Al 9 0.2143 0.3111 0.1846 1.32 0.15Al 10 0.1873 0.4049 0.3752 1.18 0.15Al 11 0.1151 0.0634 0.0009 1.53 0.15O 1 0.0 0.0208 0.2214 3.92 1.0O 2 0.0969 0.0897 0.1594 5.84 1.0O 3 0.0 0.1213 0.2499 3.76 1.0O 4 0.0955 0.1833 0.3238 2.63 1.0O 5 0.0 0.2249 0.2361 3.11 1.0O 6 0.0928 0.304 0.181 2.87 1.0O 7 0.0 0.3225 0.2802 2.53 1.0O 8 0.084 0.395 0.3443 6.37 1.0O 9 0.0 0.4225 0.2462 6.55 1.0O 10 0.0928 0.492 0.1818 3.74 1.0O 11 0.228 0.1576 0.135 2.66 1.0O 12 0.2242 0.0598 0.3504 3.61 1.0O 13 0.2381 0.4586 0.3559 5.9 1.0O 14 0.1754 0.0893 0.0555 3.0 1.0O 15 0.2329 0.2564 0.3357 3.16 1.0O 16 0.25 0.1829 0.25 2.03 1.0O 17 0.2381 0.3553 0.1332 2.79 1.0

continued . . .

NES Gottardiite


Atom x y z Biso occ

O 18 0.25 0.329 0.25 1.89 1.0O 19 0.25 0.005 0.25 5.66 1.0O 20 0.0 0.0807 0.0048 2.82 1.0O 21 0.1276 0.0 0.0 3.26 1.0O 22 0.1627 0.4084 0.4406 5.34 1.0Na 1 0.0 0.386 0.999 1.7 0.48Na 2 0.0 0.183 0.43 4.6 0.77Na 3 0.0 0.263 0.996 3.9 0.45Na 4 0.0 0.081 0.404 6.5 0.64Na 5 0.067 0.281 0.421 9.1 0.59Na 6 0.121 0.458 0.019 3.9 0.24Na 7 0.0 0.192 0.071 11.0 0.57Na 8 0.151 0.349 0.994 6.6 0.4Na 9 0.0 0.39 0.103 8.9 0.63Na 10 0.12 0.268 0.558 9.4 0.56Na 11 0.193 0.271 0.473 12.3 0.36Na 12 0.0 0.301 0.064 8.9 0.51

In editions of the International Tables For Crystallographypublished after 1995, space group symbol Cmce replaces Cmca.

†Na atoms have been used to represent the average scattering curve for theunresolved cations and water in the channels which, from chemical analysis,amount to Na2.5K0.2Mg3.1Ca4.9(H2O)93 per unit cell. The refinement accountsfor only 59% of these extraframework electrons.

NON2-aminopentane Nonasil




REFERENCE: B. Marler, N. Dehnbostel, H. H. Eulert, H. Gies and F. Liebau,J. Inclusion Phenomena 4 339–349 (1986).

Atom x y z Biso occ

Si 1 0.3745 0.1635 0.3103 1.66 1.0Si 2 0.2798 0.5000 0.5000 2.05 1.0Si 3 0.2950 0.3270 0.0000 2.84 1.0Si 4 0.5000 0.1051 0.6156 0.32 1.0Si 5 0.3173 0.5000 0.2831 2.29 1.0O 1 0.3356 0.3282 0.9056 5.13 1.0O 2 0.4427 0.1462 0.3374 1.97 1.0O 3 0.3520 0.4050 0.2525 10.11 1.0O 4 0.2702 0.4329 0.0000 12.79 1.0O 5 0.3197 0.5000 0.5937 3.4 1.0O 6 0.3667 0.2500 0.2500 17.13 1.0O 7 0.0000 0.0000 0.1392 2.05 1.0O 8 0.5000 0.1155 0.5000 0.39 1.0O 9 0.2500 0.0000 0.2500 1.82 1.0O 10 0.2500 0.2500 0.0000 9.95 1.0C 1 0.5000 0.4489 0.5700 19.11 1.0C 2 0.4659 0.3547 0.5000 10.11 1.0C 3 0.0000 0.0000 0.5000 32.37 1.0

NPO LiH oxonitridophosphate chloride

REFINED COMPOSITION: |Li5.88Cl2.56| [P12N24]



REFERENCE: S. Correll, O. Oeckler, N. Stock, W. Schnick,Angew. Chem., Int. Ed. 42 3549–3552 (2003).

Atom x y z Biso occ

P 1 0.8233 0.4357 0.1421 0.91 1.0P 2 0.6749 0.5033 -0.1774 0.89 1.0P 3 0.7917 0.3092 -0.123 1.01 1.0N 1 0.7703 0.5199 0.0041 1.26 1.0N 2 0.707 0.3971 -0.2369 1.11 1.0N 3 0.7442 0.3325 0.0672 1.03 1.0N 4 0.35 0.5398 -0.1923 1.03 1.0N 5 0.6184 0.2153 -0.1677 0.95 1.0N 6 0.1515 0.4292 0.1987 1.11 1.0Cl 0.989 0.251 0.441 12.48 0.64Li 1 0.833 0.145 0.623 2.61 0.54Li 2 0.181 0.602 0.008 2.61 0.5Li 3 0.862 0.203 0.2 2.61 0.43

NPONPO, SiO2 Framework



GULPa refinement as a silicate

REFERENCE: M. M. J. Treacy,This work, (2004).

Atom x y z

Si 1 0.792074 0.469555 0.142080Si 2 0.708176 0.473055 0.814472Si 3 0.786888 0.307519 0.971278O 1 0.751345 0.514676 0.979544O 2 0.746783 0.369528 0.826665O 3 0.754911 0.366370 0.120777O 4 0.410879 0.493403 0.762744O 5 0.582342 0.229744 0.968680O 6 0.089505 0.487495 0.195870

a J. D. Gale, “GULP: A computer program for the symmetry-adapted simulation of solids”,J. Chem. Soc., Faraday Trans. 93 629–637 (1997).




DLS76 refinement (R = 0.00896) as high-symmetry silicate

REFERENCE: Ch. Baerlocher,This work, (2004).

Atom x y z

Si 0.44154 0.88308 0.25000O 1 0.23791 0.76209 0.25000O 2 0.50000 0.00000 0.00000

NSINu-6(2)


CRYSTAL DATA: P 21/c (No. 14; unique axis b, cell choice 1)a = 13.8482 A b = 4.9881 A c = 17.2569 Aα = 90◦ β = 106.091◦ γ = 90◦

X-ray Rietveld refinement, Rw = 0.049, Rwp = 0.064

REFERENCE: S. Zanardi, A. Alberti, G. Cruciani, A. Corma, V. Fornes and M. Brunelli,Angew. Chem. Int. Ed. 43 4933–4937 (2004).

Atom x y z Biso occ

Si 1 0.3038 -0.2344 0.3286 1.06 1.0Si 2 0.2688 -0.7965 0.5921 1.06 1.0Si 3 0.0109 -0.6423 0.3093 1.06 1.0Si 4 -0.1906 -0.7290 0.3501 1.06 1.0Si 5 0.2323 -0.7245 0.4068 1.06 1.0Si 6 0.4901 -0.9520 0.6973 1.06 1.0O 1 0.1175 -0.6247 0.3737 1.29 1.0O 2 0.2984 -0.4824 0.3852 1.29 1.0O 3 0.3845 -0.8547 0.6402 1.29 1.0O 4 0.4952 -0.2636 0.7220 1.29 1.0O 5 -0.0688 -0.7092 0.3612 1.29 1.0O 6 0.2598 -0.7259 0.5013 1.29 1.0O 7 -0.2075 -0.9246 0.4167 1.29 1.0O 8 0.0176 -0.8850 0.2481 1.29 1.0O 9 0.2527 0.0105 0.3639 1.29 1.0O 10 0.4236 -0.1404 0.3462 1.29 1.0O 11 -0.2289 -0.4331 0.3639 1.29 1.0O 12 0.2504 -0.3150 0.2392 1.29 1.0

Converted from the original P21/a setting.

OBW OSB-2

REFINED COMPOSITION: |K35.82(H2O)81.5| [Be24.44Si51.56O152]

CRYSTAL DATA: I 4/m mm (No. 139)a = 13.7452 A b = 13.7452 A c = 30.654 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: A. K. Cheetham, H. Fjellag, T. E. Gier, K. O. Kongshaug, K. P. Lillerudand G. D. Stucky, Stud. Surf. Sci. Catal. 135 788–795 (2001);And, K. P. Lillerud, private communication.

Atom x y z Biso occ

Be 1 0.5 0.0 0.25 3.7 0.59Si 1 0.5 0.0 0.25 3.7 0.41Si 2 0.11330 0.11330 0.0 3.9 1.0Si 3 0.3942 0.0 0.3322 3.5 0.692Be 3 0.3942 0.0 0.3322 3.5 0.308Si 4 0.24420 0.24420 0.04727 3.9 0.562Be 4 0.24420 0.24420 0.04727 3.9 0.438Si 5 0.25592 0.10666 0.38612 3.6 0.683Be 5 0.25592 0.10666 0.38612 3.6 0.317O 1 0.5000 0.0000 0.3541 7.1 1.0O 2 0.1325 0.0000 0.0000 7.5 1.0O 3 0.1609 0.1609 0.0425 6.5 1.0O 4 0.3358 0.0948 0.3481 6.4 1.0O 5 0.4041 0.0000 0.2803 5.9 1.0O 6 0.2222 0.0000 0.4026 5.8 1.0O 7 0.3346 0.1993 0.0738 6.0 1.0O 8 0.1620 0.1620 0.3675 6.2 1.0O 9 0.2798 0.2798 0.0000 6.2 1.0K 1 0.0 0.0 0.3914 7.7 0.84K 2 0.2552 0.0 0.5 11.4 0.977K 3 0.3151 0.0 0.0798 11.7 0.664K 4 0.293 -0.141 0.2276 26.8 0.233K 18 0.112 0.112 0.1232 71.9 0.41H2O 1 0.5 -0.034 0.5 30.8 0.5H2O 2 0.0 0.0 0.5 16.6 1.0H2O 3 0.061 0.061 0.4773 18.9 0.25H2O 4 0.5 -0.106 0.5 41.1 1.0H2O 5 -0.538 0.0 0.557 22.9 0.13H2O 6 0.138 0.138 0.2803 38.7 1.0H2O 7 0.0 0.226 0.2441 29.2 0.5H2O 8 0.131 0.226 0.1822 49.7 0.5H2O 12 0.257 0.0 0.1015 9.9 0.5H2O 14 0.219 0.405 0.266 34.0 0.25H2O 11 0.088 0.088 0.3043 34.7 0.25H2O 13 0.0 0.0 0.362 9.5 0.35

OFFOffretite

REFINED COMPOSITION: |KMgCa1.32O16.04| [Si12.6Al5.4O36]Poia Creek, Adamello, Italy

CRYSTAL DATA: P6m2 (No. 187)a = 13.331 A b = 13.331 A c = 7.593 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: A. Alberti, G. Cruciani, E. Galli and G. Vezzalini,Zeolites 17 457–461 (1996).

Atom x y z Biso occ

Si 1 0.0007 0.2334 0.2089 0.92 0.7Si 2 0.0923 0.4236 0.5 0.71 0.7Al 1 0.0007 0.2334 0.2089 0.92 0.3Al 2 0.0923 0.4236 0.5 0.71 0.3O 1 0.0243 0.3486 0.3213 2.21 1.0O 2 0.0961 0.9039 0.2558 1.72 1.0O 3 0.8738 0.1262 0.2603 2.5 1.0O 4 0.0103 0.2718 0.0 2.46 1.0O 5 0.2286 0.7714 0.5 2.38 1.0O 6 0.4570 0.5430 0.5 2.01 1.0K 0.0 0.0 0.5 2.37 1.0Mg 0.3333 0.6667 0.0 1.62 1.0Ca 1 0.6667 0.3333 0.3947 2.25 0.32Ca 2 0.6667 0.3333 0.2812 6.61 0.34H2O 7 0.3333 0.6667 0.2676 2.10 1.0H2O 8 0.2446 0.7554 0.0 3.86 0.38H2O 9 0.1670 0.5266 0.0 5.97 0.48H2O 10 0.7635 0.2365 0.5 6.43 1.0H2O 11 -0.4369 0.4369 0.1881 10.2 1.0H2O 12 0.2310 0.2310 0.0 2.6 0.17

OSI UiO-6, Calcined


CRYSTAL DATA: Imm2 (No. 44)a = 18.3549 A b = 18.3206 A c = 5.0530 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: D. E. Akporiaye, H. Fjellvag, E. N. Halvorsen, T. Haug, A. Karlsson,and K. P Lillerud, J. Chem. Soc., Chem. Commun. 1553–1554 (1996).

Atom x y z

Al 1 0.5 0.2867 0.0Al 2 0.6179 0.5 0.604Al 3 0.7205 0.1659 0.528P 1 0.5 0.3795 0.527P 2 0.7221 0.5 0.081P 3 0.3554 0.7691 0.068O 1 0.5 0.3073 -0.3398O 2 0.5 0.3556 0.2413O 3 0.4353 0.2154 0.0247O 4 0.6491 0.5 0.9332O 5 0.6738 0.5 0.3272O 6 0.5724 0.4185 0.5300O 7 0.6709 0.1950 0.8099O 8 0.6977 0.1764 0.1912O 9 0.8081 0.2030 0.5110O 10 0.7376 0.0718 0.5281

Refined from simulated annealing and low-resolution powder X-ray diffraction.Temperature factors and occupancies were not provided.

OSOOSB-1

REFINED COMPOSITION: |K5.37(H2O)9| [Be3.51Si5.52O18]



REFERENCE: K. O. Kongshaug, H. Fjellvag, K. P. Lillerud, T. E. Gier, G. D. Stuckyand A. K. Cheetham, Private communication (2000).

Atom x y z Biso occ

Si 1 0.5818 0.2893 0.7241 1.03 0.58Be 1 0.5818 0.2893 0.7241 1.03 0.42Si 2 0.2899 0.5811 0.0599 0.71 0.53Be 2 0.2899 0.5811 0.0599 0.71 0.47Si 3 0.0007 0.4976 0.2277 1.03 0.73Be 3 0.0007 0.4976 0.2277 1.03 0.28O 1 0.68 0.3710 0.5540 1.58 1.0O 2 0.312 0.6910 0.8820 2.45 1.0O 3 0.465 0.1070 0.6810 1.66 1.0O 4 0.349 0.4560 0.0180 2.21 1.0O 5 0.107 0.4640 0.1020 1.97 1.0O 6 0.469 0.3560 0.7720 1.74 1.0K 11 0.005 0.4620 0.7200 3.95 0.44K 12 -0.006 0.5270 0.7180 4.50 0.56K 2 0.185 0.0750 0.7140 20.53 0.79H2O 1 0.115 0.1710 0.0510 9.24 1.0H2O 2 0.136 0.3270 0.5840 15.00 1.0H2O 3 -0.138 0.1890 -0.0790 14.21 1.0

OWE UiO-28

REFINED COMPOSITION: |(C4N3)4| [Mg4.24Al11.76P16O64]

CRYSTAL DATA: Pbcm (No. 57)a = 9.2187 A b = 14.8652 A c = 14.5811 Aα = 90◦ β = 90◦ γ = 90◦

X-ray Rietveld refinement, Rwp = 0.0624, RF2 = 0.0790 at 175 ◦C

REFERENCE: K. O. Kongshaug, H. Fjellvag and K. P. Lillerud,J. Mater. Chem. 11 1242–1247 (2001).

Atom x y z Biso occ

P 1 0.8890 0.3347 0.25 2.40 1.0P 2 0.6851 -0.0362 0.25 2.40 1.0P 3 0.1548 0.1356 0.1041 2.40 1.0Al 1 0.1480 0.3479 0.1145 3.14 0.82Mg 1 0.1480 0.3479 0.1145 3.14 0.18Al 2 0.8989 0.1353 0.25 3.14 1.0Al 3 0.3291 0.0190 0.25 3.14 0.3Mg 3 0.3291 0.0190 0.25 3.14 0.7O 1 0.8144 0.2430 0.25 4.33 1.0O 2 0.7572 0.3946 0.25 4.33 1.0O 3 0.9725 0.3597 0.1628 4.33 1.0O 4 0.7563 0.0537 0.25 4.33 1.0O 5 0.5315 -0.0061 0.25 4.33 1.0O 6 0.7280 -0.0737 0.3398 4.33 1.0O 7 0.2674 0.0695 0.1364 4.33 1.0O 8 0.1269 0.1116 0.0026 4.33 1.0O 9 0.0134 0.1191 0.1526 4.33 1.0O 10 0.2102 0.2328 0.1187 4.33 1.0N 1 0.2174 -0.0856 -0.0038 6.3 1.0N 2 0.6458 0.2208 0.0528 6.3 0.5C 1 0.3775 -0.1031 -0.0106 6.3 1.0C 2 0.4177 -0.1908 0.4627 6.3 1.0

The loss of the organic species at calcination temperatures above 300 ◦C resultsin a transformation to an amorphous phase.

-PARPartheite

REFINED COMPOSITION: |Ca8(H2O)16| [Si16Al16O60(OH)8]Taurus Mountains, Turkey



REFERENCE: N. Engel and K. Yvon,Z. Kristallogr. 169 165–175 (1984).

Atom x y z Biso occ

Ca 0.35586 0.1991 0.0444 0.93 1.0Si 1 0.06729 0.1832 0.2896 0.53 1.0Si 2 0.23983 0.0077 0.4621 0.46 1.0Al 1 0.1161 0.0844 0.6006 0.56 1.0Al 2 0.1999 0.3162 0.2858 0.51 1.0O 1 0.0695 0.0181 0.2162 0.73 1.0O 2 0.0725 0.1719 0.4626 0.84 1.0O 3 0.1222 0.2883 0.2295 0.89 1.0O 4 0.1722 0.0363 0.0250 0.86 1.0O 5 0.2081 0.4669 0.4096 0.71 1.0O 6 0.2345 0.1550 0.3605 0.84 1.0O 7 0.2340 0.3599 0.1221 0.76 1.0O 8 0.0 0.2632 0.2500 0.63 1.0OH 0.3523 0.2673 0.2918 1.11 1.0H2O 1 0.0712 0.5050 0.0159 2.62 1.0H2O 2 0.4541 0.3070 0.0800 1.72 1.0

PAU Paulingite

REFINED COMPOSITION: |Na9.68K50.51Ca26.75Ba1.06(H2O)452| [Si520.12Al151.88O1344]Rock Island Dam, Washington, U.S.A.



REFERENCE: E. K. Gordon, S. Samson and W. B. Kamb,Science 154 1004–1007 (1966).

Atom x y z Biso occ

Na 1 0.1788 0.1788 0.1788 2.4 0.11Na 2 0.2543 0.2543 0.0 3.0 0.11Na 3 0.3975 0.3975 0.1445 5.5 0.11K 1 0.1788 0.1788 0.1788 2.4 0.574K 2 0.2543 0.2543 0.0 3.0 0.574K 3 0.3975 0.3975 0.1445 5.5 0.574Ca 1 0.1788 0.1788 0.1788 2.4 0.304Ca 2 0.2543 0.2543 0.0 3.0 0.304Ca 3 0.3975 0.3975 0.1445 5.5 0.304Ba 1 0.1788 0.1788 0.1788 2.4 0.012Ba 2 0.2543 0.2543 0.0 3.0 0.012Ba 3 0.3975 0.3975 0.1445 5.5 0.012Si 1 0.3137 0.25 0.1863 0.47 0.774Si 2 0.4021 0.25 0.0979 0.46 0.774Si 3 0.3132 0.2498 0.0979 0.48 0.774Si 4 0.4558 0.1072 0.0443 0.54 0.774Si 5 0.4019 0.1782 0.0448 0.45 0.774Si 6 0.3126 0.1785 0.0446 0.40 0.774Si 7 0.2592 0.1073 0.0445 0.36 0.774Si 8 0.1708 0.1076 0.0441 0.44 0.774Al 1 0.3137 0.25 0.1863 0.47 0.226Al 2 0.4021 0.25 0.0979 0.46 0.226Al 3 0.3132 0.2498 0.0979 0.48 0.226Al 4 0.4558 0.1072 0.0443 0.54 0.226Al 5 0.4019 0.1782 0.0448 0.45 0.226Al 6 0.3126 0.1785 0.0446 0.40 0.226Al 7 0.2592 0.1073 0.0445 0.36 0.226Al 8 0.1708 0.1076 0.0441 0.44 0.226O 1 0.1635 0.0933 0.0 1.4 1.0O 2 0.2679 0.0968 0.0 1.3 1.0O 3 0.3041 0.1886 0.0 1.4 1.0O 4 0.4092 0.1900 0.0 1.8 1.0O 5 0.4484 0.0952 0.0 1.6 1.0O 6 0.4489 0.3794 0.0 1.8 1.0O 7 0.0713 0.0713 0.1610 1.4 1.0O 8 0.4308 0.4308 0.2322 1.9 1.0O 9 0.1437 0.1437 0.0545 1.5 1.0O 10 0.2860 0.2860 0.1965 1.6 1.0O 11 0.2868 0.2868 0.0890 1.7 1.0

continued . . .

PAUPaulingite


Atom x y z Biso occ

O 12 0.4299 0.4299 0.0548 2.0 1.0O 13 0.2152 0.1211 0.0496 1.2 1.0O 14 0.2870 0.1414 0.0582 1.8 1.0O 15 0.3573 0.1672 0.0525 1.5 1.0O 16 0.4278 0.1417 0.0573 2.3 1.0O 17 0.3002 0.2163 0.0693 1.9 1.0O 18 0.4148 0.2142 0.0710 1.9 1.0O 19 0.3576 0.2623 0.0909 1.6 1.0O 20 0.3080 0.2351 0.1419 1.5 1.0H2O 1 0.140 0.140 0.140 5.7 1.0H2O 2 0.217 0.217 0.217 4.2 1.0H2O 3 0.209 0.209 0.053 6.2 1.0H2O 4 0.348 0.348 0.200 5.5 1.0H2O 5 0.350 0.350 0.082 11.5 1.0H2O 6 0.220 0.220 0.140 15.0 1.0H2O 7 0.139 0.139 0.217 15.0 1.0H2O 8 0.334 0.275 0.0 15.0 1.0H2O 9 0.422 0.285 0.0 15.0 1.0H2O 10 0.292 0.5 0.0 15.0 1.0H2O 11 0.367 0.367 0.0 15.0 1.0H2O 12 0.178 0.0 0.0 15.0 1.0H2O 13 0.270 0.0 0.0 15.0 1.0H2O 14 0.458 0.0 0.0 15.0 1.0

PHI Phillipsite

REFINED COMPOSITION: |K2Ca1.648(H2O)12| [Si10.7Al5.3O32]Casal Brunori, Rome, Italy




Atom x y z Biso occ

K 0.8480 0.2500 0.2076 2.4 1.0Ca 0.6080 0.6262 0.4401 2.14 0.412Si 1 0.7362 0.0248 0.2805 1.08 0.669Si 2 0.4206 0.1409 0.0019 1.06 0.669Si 3 0.0604 0.0078 0.2844 1.11 0.669Si 4 0.1204 0.1396 0.0421 1.14 0.669Al 1 0.7362 0.0248 0.2805 1.08 0.331Al 2 0.4206 0.1409 0.0019 1.06 0.331Al 3 0.0604 0.0078 0.2844 1.11 0.331Al 4 0.1204 0.1396 0.0421 1.14 0.331O 1 0.1335 0.0976 0.2289 2.04 1.0O 2 0.6445 0.5766 0.1878 1.94 1.0O 3 0.6100 0.1130 0.1728 1.89 1.0O 4 0.0254 0.9154 0.1494 1.85 1.0O 5 0.8957 0.0440 0.2713 2.06 1.0O 6 0.3022 0.3738 0.0783 2.32 1.0O 7 0.7872 0.4795 0.4982 1.9 1.0O 8 0.5814 0.7500 0.0616 1.94 1.0O 9 0.0665 0.2500 0.0196 2.12 1.0H2O 1 0.7551 0.7500 0.4733 7.8 1.0H2O 2 0.1552 0.7500 0.4382 7.3 1.0H2O 3 0.3208 0.8525 0.1740 8.8 1.0H2O 4 0.5085 0.2500 0.4384 18.7 1.0H2O 5 0.5 0.5 0.5 16.6 1.0

PHIHarmotome

REFINED COMPOSITION: |Ba2Ca0.6(H2O)12| [Si12Al4O32]Andreasberg, Hartz, Germany




Atom x y z Biso occ

Ba 0.86290 0.25 0.19441 1.79 1.0Ca 0.5869 0.6286 0.4799 0.0 0.15Si 1 0.7367 0.0248 0.2840 0.82 0.75Si 2 0.4214 0.1410 0.0136 0.77 0.75Si 3 0.0577 0.0075 0.2898 0.78 0.75Si 4 0.1216 0.1390 0.0375 0.85 0.75Al 1 0.7367 0.0248 0.2840 0.82 0.25Al 2 0.4214 0.1410 0.0136 0.77 0.25Al 3 0.0577 0.0075 0.2898 0.78 0.25Al 4 0.1216 0.1390 0.0375 0.85 0.25O 1 0.1042 0.0896 0.1958 2.45 1.0O 2 0.6470 0.5726 0.1679 1.80 1.0O 3 0.6163 0.1186 0.1792 1.58 1.0O 4 0.0050 0.9083 0.1711 2.05 1.0O 5 0.9057 0.0515 0.2955 1.47 1.0O 6 0.3137 0.3709 0.1017 1.84 1.0O 7 0.7808 0.4856 0.4976 1.68 1.0O 8 0.5885 0.75 0.0573 1.76 1.0O 9 0.0661 0.25 0.0256 1.99 1.0H2O 1 0.8004 0.75 0.4889 5.5 1.0H2O 2 0.1148 0.75 0.4593 4.8 1.0H2O 3 0.3027 0.8628 0.1324 5.8 1.0H2O 4 0.4611 0.75 0.5134 47.0 1.0H2O 5 0.5 0.5 0.5 35.0 1.0

PON IST-1

REFINED COMPOSITION: |C12N10.88O4.5| [Al12P12O48]



REFERENCE: J. L. Jorda, L. B. McCusker, Ch. Baerlocher, C. M. Morais, J. Rocha,C. Fernandez, C. Borges, J. P. Lourenco, M. F. Ribeiro and Z. Gabelica,Microporous and Mesoporous Materials 65 43–57 (2003).

Atom x y z Biso occ

Al 1 0.1950 0.8346 0.3921 0.43 1.0Al 2 0.0171 0.6502 0.1040 0.43 1.0Al 3 0.1780 0.4521 0.3614 0.43 1.0P 1 0.0380 0.3284 0.7909 0.43 1.0P 2 0.1877 0.5844 0.5345 0.43 1.0P 3 0.0259 0.1513 0.4455 0.43 1.0O 1 0.3738 0.8960 0.4306 0.59 1.0O 2 0.1470 0.7320 0.4927 0.59 1.0O 3 0.0188 0.7988 0.3478 0.59 1.0O 4 0.1226 0.0127 0.4409 0.59 1.0O 5 0.2011 0.3396 0.8031 0.59 1.0O 6 0.9740 0.4831 0.8070 0.59 1.0O 7 0.0198 0.2780 0.7014 0.59 1.0O 8 -0.0371 0.7890 0.0367 0.59 1.0O 9 0.1931 0.6098 0.0977 0.59 1.0O 10 0.9400 0.4761 0.0856 0.59 1.0O 11 0.0676 0.2760 0.3868 0.59 1.0O 12 0.2282 0.4627 0.4698 0.59 1.0O 13 0.2607 0.6465 0.3459 0.59 1.125C 1 0.1528 0.9036 0.7281 3.95 1.5N 1 0.2603 0.9621 0.7855 3.95 1.29C 2 0.1442 0.1472 0.1047 3.95 1.5N 2 0.1317 0.1829 0.0146 3.95 1.43

The occupancies of the extra-framework O13, and C and N atoms were increased toapproximate the electron density of the associated H atoms.

RHORho, Hydrated

REFINED COMPOSITION: |Na2.88Cs3.12(H2O)73.27| [Si35.95Al12.05O96]



REFERENCE: L. B. McCusker and Ch. Baerlocher,in Proceedings of the 6th International Zeolite Conference, Reno 1983,Ed. by D. H. Olson and A. Bisio (Butterworth: Guildford) 812–822 (1984).

Atom x y z Biso occ

Na 0.2768 0.2768 0.2768 6.3 0.180Cs 0.0 0.0 0.3554 0.3 0.260Si 0.25 0.1042 0.3958 3.2 0.749Al 0.25 0.1042 0.3958 3.2 0.251O 1 0.2107 0.0 0.3834 5.6 1.0O 2 0.1652 0.1652 0.3654 5.6 1.0H2O 1 0.0749 0.2096 0.2096 5.5 0.204H2O 2 0.0542 0.0542 0.2756 15.0 0.504H2O 3 0.0636 0.1180 0.1735 15.0 0.305H2O 4 0.0 0.0 0.4295 15.0 0.717H2O 5 0.0 0.0 0.0 15.0 0.70

RHO Pahasapaite

REFINED COMPOSITION: |Li11.6Na0.192K1.2Ca5.5(H2O)38| [Be24P24O96]Custer, S. Dakota, U.S.A.



REFERENCE: R. C. Rouse, D. R. Peacor and S. Merlino,American Mineralogist 74 1195–1202 (1989).

Atom x y z Biso occ

Li 1 0.3615 0.0357 0.0301 3.66 0.15Li 2 0.3013 0.3013 0.3013 1.89 1.0Na 0.3615 0.0357 0.0301 3.66 0.008K 0.3615 0.0357 0.0301 3.66 0.05Ca 0.3615 0.0357 0.0301 3.66 0.229Be 0.4207 0.1210 0.2675 0.76 1.0P 0.2771 0.1240 0.4224 0.71 1.0O 1 0.2246 0.2178 0.3914 0.95 1.0O 2 0.3781 0.1245 0.3766 1.16 1.0O 3 0.3791 0.0329 0.2041 1.18 1.0O 4 0.2160 0.0383 0.3889 1.16 1.0H2O 1 0.3851 0.3851 0.3851 3.08 1.0H2O 2 0.4768 0.0 0.0 1.68 0.5H2O 3 0.2171 0.1095 0.0714 4.0 0.5H2O 4 0.2459 0.0765 0.0504 6.58 0.5

RHORho, Deuterated Berylloarsenate

REFINED COMPOSITION: |Rb24(D2O)3.2| [Be24As24O96]


neutron Rwp = 0.041, X-ray Rwp = 0.145

REFERENCE: J. B. Parise, D. R. Corbin, T. E. Gier, R. L. Harlow, L. Abrams andR. B. Von Dreele, Zeolites 12 360–368 (1992).And J. B. Parise, Private communication (1994).

Atom x y z Biso occ

Rb 1 0.5 0.0 0.0 4.89 1.0Rb 2 0.1903 0.1903 0.1903 7.74 1.0Rb 3 0.3716 0.3716 0.3716 7.74 0.87Rb 4 0.244 0.0 0.0 7.74 0.25Be 0.2173 0.9311 0.3717 4.34 1.0As 0.27446 0.12749 0.42737 0.79 1.0O 1 0.2296 0.2349 0.3988 1.5 1.0O 2 0.3882 0.1265 0.3899 0.95 1.0O 3 0.2852 0.1055 0.5429 4.42 1.0O 4 0.2094 0.0467 0.3679 1.34 1.0D2O 1 0.244 0.0 0.0 4.74 0.10D2O 2 0.066 0.066 0.066 4.74 0.23D2O 3 0.441 0.441 0.441 4.74 0.07

-RON Roggianite

REFINED COMPOSITION: |Ca16(H2O)18.72| [(Be(OH)2)8Si32Al16O104]Pizzo Marcio, Val Vigezzo, Italy

CRYSTAL DATA: I 4/m cm (No. 140)a = 18.33 A b = 18.33 A c = 9.16 Aα = 90◦ β = 90◦ γ = 90◦

X-ray single crystal refinement, Robs = 0.034

REFERENCE: G. Giuseppetti, F. Mazzi, C. Tadini and E. Galli,Neues Jahrb. Mineral. Monatsh. 7 307–314 (1991).

Atom x y z Biso occ

Ca 0.1769 0.1769 0.25 1.34 1.0Si 1 0.1044 0.2810 0.0 0.95 1.0Si 2 0.1159 0.0408 0.0 0.79 1.0Be 0.2619 0.2381 0.0000 1.42 1.0Al 0.2177 0.0000 0.25 0.87 1.0O 1 0.1353 0.3647 0.0000 1.26 1.0O 2 0.1641 0.0579 0.1457 1.26 1.0O 3 0.0579 0.2673 0.1461 1.74 1.0O 4 0.0451 0.0936 0.0000 1.66 1.0O 5 0.1725 0.2246 0.0 1.18 1.0O 6 0.2935 0.2065 0.1512 1.34 1.0H 0.324 0.176 0.145 2.37 1.0H2O 1 0.409 0.091 0.154 11.05 0.49H2O 2 0.375 0.079 0.0 10.26 0.27H2O 1 0.445 0.055 0.264 17.37 0.41

O6 is a terminal oxygen, where the framework is not fully connected.

RRORUB-41




REFERENCE: Y. Wang, B. Marler, H. Gies and U. Muller,Chem. Mater. 17 43–49 (2005).

Atom x y z Biso occ

Si 1 -0.0620 0.8238 -0.0084 1.61 1.0Si 2 0.6912 0.3973 0.9447 1.61 1.0Si 3 0.2873 0.6479 0.6786 1.61 1.0Si 4 0.2730 0.3470 0.9209 1.61 1.0Si 5 0.0 0.4969 0.25 1.61 1.0O 1 0.1315 0.7211 0.0296 1.80 1.0O 2 0.0 0.0 0.0 1.80 1.0O 3 0.8079 0.7985 0.0468 1.80 1.0O 4 0.8077 0.7770 0.8939 1.80 1.0O 5 0.7255 0.5097 0.0222 1.80 1.0O 6 0.4877 0.3072 0.9240 1.80 1.0O 7 0.6798 0.4931 0.8640 1.80 1.0O 8 0.1420 0.6127 0.7243 1.80 1.0O 9 0.5 0.7013 0.75 1.80 1.0O 10 0.1281 0.3913 0.8263 1.80 1.0

RSN RUB-17

REFINED COMPOSITION: |K4Na12(H2O)20.7| [Si28Zn8O72]

CRYSTAL DATA: C1m1 (No. 8; unique axis b, cell choice 1)a = 7.238 A b = 40.56 A c = 7.308 Aα = 90◦ β = 91.8◦ γ = 90◦


REFERENCE: C. Rohrig and H. Gies,Angew. Chem., Int. ed. 34 63–65 (1995).

Atom x y z Biso occ

Na 1 -0.141 0.0 0.224 1.97 1.0Na 2 -0.164 0.0 0.795 1.97 1.0Na 3 -0.002 0.2469 0.84 1.97 1.0Na 4 0.05 0.1309 0.574 1.97 1.0K 0.063 0.3865 0.442 1.97 1.0Si 1 0.317 0.0382 0.308 0.79 1.0Si 2 0.299 0.0379 0.72 0.79 1.0Si 3 0.572 0.0671 0.017 0.79 1.0Si 4 -0.195 0.1277 -0.024 0.79 1.0Si 5 0.755 0.1991 0.096 0.79 1.0Si 6 0.038 0.2185 0.397 0.79 1.0Si 7 0.467 0.2105 0.388 0.79 1.0Zn 1 0.0 0.0605 0.0 0.79 1.0Zn 2 0.7484 0.1832 0.6786 0.79 1.0O 1 0.377 0.0 0.298 1.18 1.0O 2 0.317 0.052 0.515 1.18 1.0O 3 0.111 0.0427 0.224 1.18 1.0O 4 0.467 0.0603 0.205 1.18 1.0O 5 0.365 0.0 0.735 1.18 1.0O 6 0.086 0.042 0.773 1.18 1.0O 7 0.433 0.0609 0.844 1.18 1.0O 8 0.7478 0.043 0.004 1.18 1.0O 9 -0.002 0.1084 0.01 1.18 1.0O 10 0.626 0.1058 0.022 1.18 1.0O 11 -0.203 0.1599 0.106 1.18 1.0O 12 0.784 0.1378 0.762 1.18 1.0O 13 0.737 0.2124 0.888 1.18 1.0O 14 -0.079 0.2182 0.204 1.18 1.0O 15 0.561 0.2066 0.192 1.18 1.0O 16 -0.029 0.1919 0.544 1.18 1.0O 17 0.521 0.1815 0.53 1.18 1.0O 18 0.247 0.2091 0.346 1.18 1.0O 19 0.023 0.2549 0.485 1.18 1.0H2O 1 -0.1 0.0753 0.501 4.74 1.15H2O 2 0.257 0.2093 0.898 4.74 1.15H2O 3 0.299 0.1398 0.775 4.74 1.15H2O 4 0.21 0.1324 0.293 4.74 1.15H2O 5 0.746 0.0 0.487 4.74 1.15

RTERUB-3



X-ray single crystal refinement, R1 = 0.099

REFERENCE: B. Marler, A. Grunewald-Luke and H. Gies,Microporous and Mesoporous Materials 26 49–59 (1998).

Atom x y z Biso occ

Si 1 0.6021 0.1135 0.4515 2.13 1.0Si 2 0.7308 0.1133 0.8427 1.89 1.0Si 3 0.6111 0.2237 0.0859 1.89 1.0O 1 0.5 0.1473 0.5 3.08 1.0O 2 0.5966 0.0 0.3917 2.61 1.0O 3 0.6869 0.1288 0.6265 2.76 1.0O 4 0.6239 0.1784 0.2882 26.06 1.0O 5 0.7551 0.0 0.8826 24.48 1.0O 6 0.8826 0.1749 0.9047 2.37 1.0O 7 0.6414 0.1465 0.9575 2.84 1.0O 8 0.5 0.2477 0.0 2.53 1.0C 1 0.422 0.477 0.432 22.9 0.63C 2 0.489 0.414 0.428 18.16 0.63C 3 0.943 0.0 0.277 18.95 0.31C 4 0.967 0.0 0.63 16.58 0.31C 5 0.858 0.097 0.358 30.79 0.63

RTH RUB-13




REFERENCE: S. Vortmann, B. Marler, H. Gies and P. Daniels,Microporous and Mesoporous Materials 4 111–121 (1995).

Atom x y z Biso occ

Si 1 -0.00071 0.32074 0.34243 0.96 0.969Si 2 0.40984 0.07574 0.12008 1.21 0.969Si 3 0.25048 0.26603 0.21513 1.37 0.969Si 4 0.15487 0.15272 0.01508 1.69 0.969O 1 0.0 0.34053 0.5 1.76 1.0O 2 0.0 0.12655 0.0 1.94 1.0O 3 0.151 0.29265 0.3211 2.07 1.0O 4 0.16628 0.21447 0.11538 2.59 1.0O 5 0.25098 0.09473 0.07707 2.22 1.0O 6 0.31018 0.32663 0.12877 2.43 1.0O 7 -0.11737 0.26658 0.30066 2.6 1.0O 8 0.42048 0.0 0.15383 2.3 1.0O 9 -0.03047 0.38601 0.25539 2.53 1.0O 10 0.5 0.09471 0.0 2.68 1.0

RUTRUB-10, SiO2 Framework


CRYSTAL DATA: P1 21/a 1 (No. 14; unique axis b, cell choice 3)a = 13.112 A b = 12.903 A c = 12.407 Aα = 90◦ β = 113.50◦ γ = 90◦

DLS76 refinement.

REFERENCE: H. Gies and J. Rius,Z. Kristallogr. 210 475–480 (1995).

Atom x y z

Si 1 0.3003 0.1257 0.1207Si 2 0.2975 0.1210 0.3594Si 3 0.0627 0.1268 0.3183Si 4 0.9222 0.1899 0.0622Si 5 0.0007 0.2581 0.4892Si 6 0.2992 0.8890 0.1088Si 7 0.2864 0.8847 0.3504Si 8 0.0468 0.8885 0.3340Si 9 0.9254 0.8006 0.0773O 1 0.1789 0.1393 0.0177O 2 0.3410 0.0078 0.1248O 3 0.3869 0.1999 0.0963O 4 0.2960 0.1544 0.2447O 5 0.1930 0.1528 0.3686O 6 0.3934 0.1688 0.4555O 7 0.3082 0.0070 0.3699O 8 0.0446 0.0110 0.3542O 9 0.0011 0.2062 0.3720O 10 0.0111 0.1359 0.1779O 11 0.9756 0.2048 0.9673O 12 0.8142 0.1180 0.0063O 13 0.1123 0.3247 0.5507O 14 0.9967 0.1694 0.5780O 15 0.2787 0.8539 0.2222O 16 0.3906 0.8156 0.0936O 17 0.1721 0.8541 0.3608O 18 0.9673 0.8607 0.2007

RWR RUB-24


CRYSTAL DATA: I 41/a md (No. 141; origin at centre 2/m )a = 7.6677 A b = 7.6677 A c = 27.0625 Aα = 90.0◦ β = 90.0◦ γ = 90.0◦


REFERENCE: B. Marler, N. Stroter and H. Gies,Microporous and Mesoporous Materials, 83 201–211 (2005).

Atom x y z Biso occ

Si 1 0.3052 0.0552 0.1250 1.34 1.0Si 2 0.0 0.5452 0.0561 1.34 1.0O 1 0.1784 0.0173 0.0811 2.28 1.0O 2 0.0 0.0244 0.3979 2.28 1.0O 3 0.0 0.75 0.0594 2.28 1.0O 4 0.0 0.5 0.0 2.28 1.0

RWYUCR-20 – GaGeS-TAEA

REFINED COMPOSITION: |N20.56| [Ga48S96]



REFERENCE: N. Zheng, X. Bu, B. Wang, P. Feng,Science 298 2366–2369 (2002).

Atom x y z Biso occ

Ga 0.06653 0.19050 0.44781 2.84 0.6667Ge 0.06653 0.19050 0.44781 2.84 0.3333S 2 0.13182 0.13182 0.3850 3.29 1.0S 3 0.01392 0.24862 0.37401 3.49 1.0S 4 0.0000 0.1242 0.5000 3.61 1.0N -0.0590 0.0590 0.0590 7.58 2.57

SAO STA-1, Magnesium Aluminophosphate

REFINED COMPOSITION: [P28Al28O112]


X-ray single crystal refinement, R = 0.059, Rw = 0.076; At T = 200K.

REFERENCE: G. W. Noble, P. A. Wright, P. Lightfoot, R. E. Morris, K. J. Hudson,A. Kvick and H. Graafsma, Angew. Chem., Int. Ed. 36 81–83 (1997).

Atom x y z Biso occ

P 1 0.3905 0.1197 0.1332 1.60 1.0P 2 0.1100 0.1207 0.1892 1.69 1.0P 3 0.2094 -0.1143 0.0563 1.70 1.0P 4 0.2953 -0.2047 0.2500 1.73 1.0Al 1 0.2022 0.1119 0.0597 1.76 1.0Al 2 0.1156 -0.1114 0.1885 1.85 1.0Al 3 0.3900 -0.1082 0.1346 1.96 1.0Al 4 0.2950 0.2050 0.2500 1.57 1.0O 1 0.3220 0.1410 0.0821 3.0 1.0O 2 0.3706 0.1832 0.1872 3.3 1.0O 3 0.3763 0.0132 0.1538 2.4 1.0O 4 0.4928 0.1360 0.1110 2.5 1.0O 5 0.1959 -0.0099 0.0369 3.7 1.0O 6 0.1260 0.1403 0.1220 2.6 1.0O 7 0.1812 0.1848 -0.0039 3.1 1.0O 8 0.1737 0.1878 0.2267 2.5 1.0O 9 0.1332 0.0152 0.2036 2.5 1.0O 10 0.3141 -0.1304 0.0715 3.8 1.0O 11 0.1439 -0.1372 0.1105 2.9 1.0O 12 0.0057 0.1434 0.2061 2.5 1.0O 13 0.1906 -0.1879 0.2353 2.8 1.0O 14 0.3577 -0.1789 0.1965 4.0 1.0

SASSTA-6

REFINED COMPOSITION: |C19.44N5.04| [Mg2.4Al13.6P16O64]

CRYSTAL DATA: P 4/m nc (No. 128)a = 14.322 A b = 14.322 A c = 10.424 Aα = 90◦ β = 90◦ γ = 90◦

X-ray synchrotron single crystal refinement, RF = 0.094, wR2 = 0.313

REFERENCE: V. Patinec, P. A. Wright, P. Lightfoot, R. A. Aitken and P. A. Cox,J. Chem. Soc., Dalton Trans. 22 3909–3911 (1999).

Atom x y z Biso occ

Al 1 0.2689 0.1091 0.0 1.66 0.85Al 2 0.3907 0.8907 0.75 2.45 0.85Mg 1 0.2689 0.1091 0.0 1.66 0.15Mg 2 0.3907 0.8907 0.75 2.45 0.15P 1 0.6101 0.8899 0.75 2.45 1.0P 2 0.2666 0.8863 0.0 1.89 1.0O 1 0.2414 0.9886 0.0 3.0 1.0O 2 0.3209 0.8603 0.8826 3.87 1.0O 3 0.5093 0.8722 0.7865 3.87 1.0O 4 0.175 0.8339 0.0 3.4 1.0O 5 0.6683 0.8619 0.8614 5.05 1.0N 1 0.5595 0.6718 0.0547 23.7 0.09N 2 0.5368 0.3621 0.0 23.7 0.09N 3 0.4221 0.5146 0.2956 23.7 0.09N 4 0.4938 0.5105 0.7902 23.7 0.09C 1 0.4937 0.7371 1.0 23.7 0.09C 2 0.6187 0.3376 0.0918 23.7 0.09C 3 0.4966 0.4748 0.3812 23.7 0.09C 4 0.4092 0.5505 0.7258 23.7 0.09C 5 0.4451 0.32 0.0477 23.7 0.09C 6 0.4066 0.348 0.1815 23.7 0.09C 7 0.3685 0.4473 0.2101 23.7 0.09C 8 0.4508 0.605 0.2332 23.7 0.09C 9 0.5145 0.5906 0.1159 23.7 0.09C 10 0.646 0.6501 0.9782 23.7 0.09C 11 0.648 0.5692 0.8802 23.7 0.09C 12 0.581 0.5662 0.7643 23.7 0.09C 13 0.5025 0.4061 0.7672 23.7 0.09C 14 0.5593 0.3481 0.8665 23.7 0.09

SAT STA-2

REFINED COMPOSITION: |(C22H50N2)3| [Al36P36O144]


X-ray single crystal refinement at 200 K. RF = 0.0757

REFERENCE: G. W. Noble, P. A. Wright and A. Kvick,J. Chem. Soc., Dalton Trans. 4485–4490 (1997).

Atom x y z Biso occ

Al 1 0.7533 0.7572 0.2954 1.30 1.0Al 2 0.5762 0.9023 0.2165 1.71 1.0P 1 0.5778 0.9043 0.1144 1.53 1.0P 2 0.7568 1.0013 0.2914 1.08 1.0O 1 0.6138 0.9393 0.1617 2.75 1.0O 2 0.5341 0.7532 0.2251 2.76 1.0O 3 0.7928 0.9072 0.2939 3.05 1.0O 4 0.4612 0.9280 0.2310 2.81 1.0O 5 0.7014 0.9959 0.2472 2.66 1.0O 6 0.8644 1.1224 0.2968 2.75 1.0O 7 0.6689 0.9831 0.3267 3.64 1.0O 8 0.6563 0.0092 0.0856 2.70 1.0N 0.0000 0.0000 0.1025 5.43 1.0C 1 0.0000 0.0000 0.1842 7.76 1.0C 2 -0.0415 0.0827 0.1662 10.66 1.0C 3 -0.0415 0.0787 0.1177 11.13 1.0C 4 -0.0312 0.0351 0.0556 17.02 1.0C 5 0.0000 0.0000 0.0241 14.90 1.0H 1 0.0000 0.0000 0.2147 0.0 1.0H 2 0.0103 0.1631 0.1757 0.0 1.0H 3 -0.1222 0.0567 0.1762 0.0 1.0H 4 0.0090 0.1580 0.1069 0.0 1.0H 5 -0.1226 0.0498 0.0498 0.0 1.0H 6 0.0075 0.1208 0.0540 0.0 1.0H 7 -0.1164 0.0017 0.0540 0.0 1.0H 8 0.0851 0.0322 0.0249 0.0 1.0H 9 -0.0211 0.0263 -0.0015 0.0 1.0

SAVMagnesium STA-7

REFINED COMPOSITION: [Mg4.8Al19.2P24O96]

CRYSTAL DATA: P 4/n (No. 85; origin at centre 1)a = 18.7732 A b = 18.7732 A c = 9.4537 Aα = 90◦ β = 90◦ γ = 90◦

X-ray synchrotron single crystal refinement, R = 0.0539, Rw = 0.1422

REFERENCE: P. A. Wright, M. J. Maple, A. M. Z. Slawin, V. Patinec, R. A. Aitken,S. Welsh and P. A. Cox, J. Chem. Soc., Dalton Trans. 1243–1248 (2000).

Atom x y z Biso occ

Al 1 0.06412 0.66568 0.08090 2.04 0.8Al 2 0.95577 0.83599 0.84220 2.13 0.8Al 3 0.94930 0.43481 0.33580 1.99 0.8Mg 1 0.06412 0.66568 0.08090 2.04 0.2Mg 2 0.95577 0.83599 0.84220 2.13 0.2Mg 3 0.94930 0.43481 0.33580 1.99 0.2P 1 0.06413 0.55768 0.33630 2.12 1.0P 2 0.94979 0.66685 0.83780 2.12 1.0P 3 0.06624 0.83420 0.09420 2.15 1.0O 1 0.05740 0.62430 0.24630 3.78 1.0O 2 0.07540 0.58070 0.48780 3.73 1.0O 3 0.12730 0.51280 0.29030 3.67 1.0O 4 0.99500 0.51620 0.32390 3.8 1.0O 5 0.98490 0.65670 0.98110 3.6 1.0O 6 0.99740 0.63590 0.72250 3.6 1.0O 7 0.87790 0.62920 0.84020 3.9 1.0O 8 0.93760 0.74420 0.80680 4.1 1.0O 9 0.99790 0.84490 0.01270 3.88 1.0O 10 0.12970 0.86300 0.01460 3.62 1.0O 11 0.05990 0.87030 0.23630 4.14 1.0O 12 0.07950 0.75560 0.12070 3.97 1.0

SBE UCSB–8Co

REFINED COMPOSITION: |C32N16| [Al32Co32P64O256]

CRYSTAL DATA: P 4/n nc (No. 126; origin at centre 1)a = 19.0654 A b = 19.0654 A c = 27.594 Aα = 90◦ β = 90◦ γ = 90◦



Atom x y z Biso occ

Al 1 0.4567 0.1672 0.5127 2.30 0.50Co 1 0.4567 0.1672 0.5127 2.30 0.50Al 2 0.3317 0.0477 0.8051 2.40 0.50Co 2 0.3317 0.0477 0.8051 2.40 0.50Al 3 0.3269 -0.0423 0.5995 2.30 0.50Co 3 0.3269 -0.0423 0.5995 2.30 0.50Al 4 0.4015 -0.1712 0.9551 2.40 0.50Co 4 0.4015 -0.1712 0.9551 2.40 0.50P 1 0.3358 0.0490 0.5055 2.60 1.0P 2 0.3335 0.0501 0.6916 2.10 1.0P 3 0.3381 -0.0486 0.8941 2.40 1.0P 4 0.3991 -0.1636 0.5484 2.40 1.0O 1 0.3443 0.0224 0.7421 3.00 1.0O 2 0.3817 0.1116 0.4947 4.80 1.0O 3 0.3797 -0.1151 0.9041 4.50 1.0O 4 0.3798 -0.1174 0.5918 3.90 1.0O 5 0.3495 -0.0085 0.6576 4.30 1.0O 6 0.3491 -0.0278 0.8419 3.80 1.0O 7 0.3475 -0.1555 0.0081 3.90 1.0O 8 0.3524 0.0209 0.5559 3.90 1.0O 9 0.3808 0.1121 0.6815 4.90 1.0O 10 0.5292 0.1415 0.4681 4.30 1.0O 11 0.3969 -0.2397 0.5644 4.50 1.0O 12 0.2391 -0.0627 0.5963 4.80 1.0O 13 0.2585 0.0743 0.6842 3.20 1.0O 14 0.4306 0.2596 0.5031 4.30 1.0O 15 0.3519 -0.0073 0.4685 4.30 1.0O 16 0.4888 0.1397 0.5740 4.50 1.0N 0.4831 0.0187 0.4150 6.10 1.0C 1 0.4727 0.0323 0.3615 7.70 1.0C 2 0.4080 0.1047 0.3607 2.20 1.0

SBSUCSB–6GaCo

REFINED COMPOSITION: |C16N16O12| [Ga24Co24P48O192]




Atom x y z Biso occ

Ga 1 -0.1059 0.2593 0.5978 3.10 1.0Ga 2 -0.3132 -0.0696 0.5392 2.80 1.0Co 3 -0.3324 0.1607 0.6925 1.80 1.0Co 4 0.1597 0.4754 0.4858 2.30 1.0P 1 0.0636 0.3015 0.5490 2.00 1.0P 2 -0.2758 0.0833 0.6104 2.40 1.0P 3 0.3445 0.4963 0.4890 2.40 1.0P 4 -0.1572 0.3339 0.6866 2.20 1.0O 1 -0.1815 0.1465 0.6031 8.50 1.0O 2 -0.0993 0.3059 0.6604 3.70 1.0O 3 -0.3021 0.0832 0.6645 5.40 1.0O 4 -0.4440 0.1312 0.6708 3.90 1.0O 5 0.1005 0.3966 0.5389 3.50 1.0O 6 0.0043 0.2744 0.5940 2.90 1.0O 7 -0.2905 -0.0069 0.5983 3.80 1.0O 8 0.2840 0.5324 0.4864 4.20 1.0O 9 0.3446 0.4533 0.4400 3.40 1.0O 10 -0.2789 -0.1458 0.5616 3.90 1.0O 11 -0.3289 0.1432 0.7592 4.60 1.0O 12 0.1071 0.4363 0.4219 4.00 1.0O 13 -0.2515 0.2760 0.6719 4.00 1.0O 14 0.1302 0.5642 0.5001 3.50 1.0O 15 0.3173 0.4293 0.5305 4.30 1.0O 16 -0.2357 0.0127 0.4954 4.00 1.0N 1 -0.3333 0.3333 0.5967 4.30 1.0N 2 0.0266 0.5103 0.5912 4.40 1.0C 3 0.0863 0.5395 0.6361 10.90 1.0C 4 0.3333 0.6667 0.5770 17.50 1.0O 17 -0.1496 0.1913 0.5275 10.30 1.0

SBT UCSB–10GaZn

REFINED COMPOSITION: |C30N24| [Ga36Zn36P72O288]




Atom x y z Biso occ

Zn 1 0.8424 0.3247 -0.0100 1.90 1.0Zn 2 0.5111 0.8371 0.1286 1.70 1.0Ga 3 0.7579 0.0668 0.0283 1.70 1.0Ga 4 0.0998 0.3663 0.0679 2.20 1.0P 5 0.1544 0.4958 0.1257 1.70 1.0P 6 0.8467 0.5083 -0.0071 1.80 1.0P 7 0.9384 0.2394 0.0315 1.60 1.0P 8 0.6378 0.9116 0.0709 1.80 1.0O 1 0.9897 0.2715 0.0634 2.70 1.0O 2 0.8712 0.1447 0.0378 2.80 1.0O 3 0.7166 0.0023 0.0655 2.90 1.0O 4 0.8693 0.4399 0.0021 2.80 1.0O 5 0.8991 0.2943 0.0229 3.00 1.0O 6 0.0990 0.4105 0.1077 3.30 1.0O 7 0.6173 0.9034 0.1071 2.80 1.0O 8 0.1818 0.3362 0.0595 3.60 1.0O 9 0.4685 0.7195 0.1183 3.70 1.0O 10 0.5324 0.8575 0.1724 3.90 1.0O 11 0.6965 0.1221 0.0207 3.10 1.0O 12 0.4312 0.8690 0.1134 3.20 1.0O 13 0.7589 0.9997 -0.0051 2.80 1.0O 14 0.7192 0.2499 -0.0127 3.50 1.0O 15 0.1045 0.4472 0.0383 3.30 1.0O 16 0.9003 0.3389 -0.0512 3.50 1.0N 1 0.3333 0.6667 0.0655 5.20 1.0N 2 0.5103 0.0289 0.0608 4.70 1.0C 1 0.3333 0.6667 0.1050 4.20 1.0C 2 0.5501 0.0936 0.0891 13.20 1.0C 3 0.6667 0.3333 0.0461 9.90 1.0

SFESSZ–48, Calcined



Electron diffraction, and X-ray powder, Rw = 0.0971, Rp = 0.0887

REFERENCE: P. Wagner, O. Terasaki, S. Ritsch, J. G. Nery, S. I. Zones,M. E. Davis and K. Hiraga, J. Phys. Chem. B 103 8245–8250 (1999).

Atom x y z Biso occ

Si 1 0.2558 0.3385 0.1869 1.50 1.0Si 2 0.3963 0.3355 0.3874 5.05 1.0Si 3 0.4323 0.3363 0.6058 7.50 1.0Si 4 0.6337 0.338 0.8955 0.32 1.0Si 5 0.3516 0.4094 0.7996 0.32 1.0Si 6 0.7451 0.4067 0.1181 0.24 1.0Si 7 0.9952 0.3947 0.0657 1.11 1.0O 1 0.282 0.3816 0.3036 3.55 1.0O 2 0.3294 0.5403 0.1315 0.16 1.0O 3 0.1138 0.3692 0.1504 0.08 1.0O 4 0.2936 0.0386 0.162 1.89 1.0O 5 0.3565 0.3572 0.4942 0.95 1.0O 6 0.4574 1.0463 0.3752 9.95 1.0O 7 0.502 0.5462 0.3807 3.47 1.0O 8 0.343 0.3596 0.6825 5.76 1.0O 9 0.4891 0.3747 0.8557 0.16 1.0O 10 0.6629 0.3845 0.0099 0.16 1.0O 11 0.2652 0.2098 0.8435 5.76 1.0O 12 0.3071 0.7112 0.8097 4.26 1.0O 13 0.8812 0.341 0.1139 0.16 1.0O 14 0.0061 0.1947 0.9774 6.47 1.0

SFF SSZ-44, Calcined


CRYSTAL DATA: P1 21/m 1 (No. 11; unique axis b)a = 11.4853 A b = 21.9458 A c = 7.3881 Aα = 90.0◦ β = 94.702◦ γ = 90.0◦


REFERENCE: P. Wagner, S. I. Zones, M. E. Davis and R. C. Medrud,Angew. Chem., Int. ed. 38 1269–1272 (1999).

Atom x y z Biso occ

Si 1 0.27227 0.97791 0.93601 -0.35 1.0Si 2 0.13548 0.62930 0.10193 -0.18 1.0Si 3 0.23886 0.67904 0.47825 1.12 1.0Si 4 0.39323 0.56890 0.59794 0.15 1.0Si 5 0.03652 0.68184 0.74254 1.27 1.0Si 6 0.05149 0.04087 0.76211 0.91 1.0Si 7 0.11053 0.06798 0.36508 -0.47 1.0Si 8 0.35948 0.02838 0.29204 0.31 1.0O 1 0.22578 0.91806 0.02742 0.87 1.0O 2 0.32885 0.96241 0.75474 2.61 1.0O 3 0.36382 0.01059 0.08089 2.88 1.0O 4 0.16115 0.02349 0.89856 1.28 1.0O 5 0.02146 0.59436 0.15514 -0.33 1.0O 6 0.19913 0.66360 0.27348 0.77 1.0O 7 0.09682 0.67737 0.94529 3.58 1.0O 8 0.27877 0.75000 0.49498 1.01 1.0O 9 0.34544 0.63729 0.55819 2.04 1.0O 10 0.13244 0.66902 0.60239 1.72 1.0O 11 0.36967 0.53179 0.41218 0.69 1.0O 12 0.53084 0.57271 0.65389 1.53 1.0O 13 0.93509 0.63319 0.70903 2.04 1.0O 14 0.98407 0.75000 0.71105 2.39 1.0O 15 0.96479 0.98471 0.73380 1.16 1.0O 16 0.09791 0.06329 0.57827 0.69 1.0O 17 0.24371 0.06267 0.32726 2.88 1.0

SFGSSZ-58


CRYSTAL DATA: Pmma (No. 51)a = 25.118 A b = 12.4976 A c = 12.8597 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: A. Burton, S. Elomari, R. C. Medrud, I. Y. Chan, C.-Y. Chen, L. M. Bulland E. S. Vittoratos, J. Am. Chem. Soc. 125 1633–1642 (2003).

Atom x y z Biso occ

Si 1 0.1345 0.1917 0.3447 1.88 1.0Si 2 0.1530 0.1237 0.1137 1.88 1.0Si 3 0.0786 0.1952 0.7410 1.88 1.0Si 4 0.1535 0.3784 0.6816 1.88 1.0Si 5 0.1887 0.0 0.4586 1.88 1.0Si 6 0.1499 0.0 0.6907 1.88 1.0Si 7 0.0195 0.1245 0.3833 1.88 1.0Si 8 0.1889 0.3780 0.4545 1.88 1.0Si 9 0.25 0.1943 0.9882 1.88 1.0Si 10 0.25 0.0 0.8389 1.88 1.0Si 11 0.0582 0.1264 0.9634 1.88 1.0Si 12 0.25 0.3760 0.8283 1.88 1.0O 1 0.1638 0.1056 0.4152 2.98 1.0O 2 0.0746 0.1842 0.3747 2.98 1.0O 3 0.1534 0.3110 0.3771 2.98 1.0O 4 0.1463 0.1729 0.2272 2.98 1.0O 5 0.2006 0.1842 0.0640 2.98 1.0O 6 0.1647 0.0 0.1211 2.98 1.0O 7 0.1000 0.1470 0.0543 2.98 1.0O 8 0.0749 0.1916 0.8617 2.98 1.0O 9 0.0227 0.1767 0.6889 2.98 1.0O 10 0.1193 0.1077 0.7007 2.98 1.0O 11 0.1028 0.3124 0.7089 2.98 1.0O 12 0.1343 0.5 0.6846 2.98 1.0O 13 0.1753 0.3484 0.5709 2.98 1.0O 14 0.1975 0.3467 0.7636 2.98 1.0O 15 0.1792 0.0 0.5810 2.98 1.0O 16 0.25 0.0 0.4275 2.98 1.0O 17 0.1997 0.0 0.7679 2.98 1.0O 18 0.0 0.1429 0.5 2.98 1.0O 19 0.0214 0.0 0.3626 2.98 1.0O 20 0.25 0.3498 0.4374 2.98 1.0O 21 0.1764 0.5 0.4277 2.98 1.0O 22 0.25 0.3077 0.9318 2.98 1.0O 23 0.25 0.1051 0.9037 2.98 1.0O 24 0.0 0.1621 0.0 2.98 1.0O 25 0.0586 0.0 0.9310 2.98 1.0O 26 0.25 0.5 0.8618 2.98 1.0

SFH SSZ-53




REFERENCE: A. Burton, S. Elomari, C.-Y. Chen, R. C. Medrud, I. Y. Chan, L. M. Bull,C. Kibby, T. V. Harris, S. I. Zones and E. S. Vittoratos,Chemistry: A European Journal 9 5737–5748 (2003).

Atom x y z Biso occ

Si 1 0.551 0.6108 0.5041 2.12 1.0Si 2 0.056 0.5621 0.5206 2.12 1.0Si 3 0.534 0.6985 0.9880 2.12 1.0Si 4 0.457 0.3787 0.6453 2.12 1.0Si 5 0.947 0.4892 0.6025 2.12 1.0Si 6 0.457 0.4670 0.6784 2.12 1.0Si 7 0.955 0.3322 0.6790 2.12 1.0Si 8 0.037 0.2763 0.5707 2.12 1.0O 1 0.332 0.2892 0.5454 0.47 1.0O 2 0.484 0.3850 0.5710 0.47 1.0O 3 0.492 0.3460 0.4656 0.47 1.0O 4 0.5 0.5176 0.25 0.47 1.0O 5 0.996 0.5332 0.5782 0.47 1.0O 6 0.346 0.5801 0.5308 0.47 1.0O 7 0.843 0.5966 0.5214 0.47 1.0O 8 0.162 0.4768 0.6548 0.47 1.0O 9 0.659 0.4877 0.6326 0.47 1.0O 10 0.0 0.6811 0.25 0.47 1.0O 11 0.990 0.2931 0.6378 0.47 1.0O 12 0.658 0.3470 0.6705 0.47 1.0O 13 0.161 0.3648 0.6605 0.47 1.0O 14 0.509 0.7290 0.5698 0.47 1.0O 15 0.957 0.4610 0.5434 0.47 1.0O 16 0.488 0.4203 0.8220 0.47 1.0O 17 0.168 0.2948 0.9834 0.47 1.0

Structural parameters were provided by A. Burton (2004).

SFNSSZ-59




REFERENCE: A. Burton, S. Elomari, C. Y. Chen, R. C. Medrud, I. Y. Chan, L. M. Bull,C. Kibby, T. V. Harris, S. I. Zones and E. S. Vittoratos,Chemistry: A European Journal 9 5737–5748 (2003).

Atom x y z Biso occ

Si 1 0.104 0.0959 0.6362 1.71 1.0Si 2 0.680 0.4459 0.3118 1.71 1.0Si 3 0.662 0.2151 0.7202 1.71 1.0Si 4 0.690 0.2714 0.4214 1.71 1.0Si 5 0.750 0.4131 0.6226 1.71 1.0Si 6 0.665 0.3797 0.9041 1.71 1.0Si 7 0.750 0.4731 0.1124 1.71 1.0Si 8 0.131 0.1485 0.4432 1.71 1.0O 1 0.994 0.9703 0.624 1.26 1.0O 2 0.410 0.119 0.681 1.26 1.0O 3 0.068 0.832 0.297 1.26 1.0O 4 0.117 0.134 0.5437 1.26 1.0O 5 0.984 0.238 0.421 1.26 1.0O 6 0.553 0.826 0.584 1.26 1.0O 7 0.673 0.331 0.3368 1.26 1.0O 8 0.414 0.491 0.344 1.26 1.0O 9 0.067 0.464 0.644 1.26 1.0O 10 0.681 0.421 0.1999 1.26 1.0O 11 0.639 0.259 0.8313 1.26 1.0O 12 0.664 0.314 0.672 1.26 1.0O 13 0.684 0.366 0.5135 1.26 1.0O 14 0.694 0.378 0.0146 1.26 1.0O 15 0.920 0.467 0.880 1.26 1.0O 16 0.596 0.570 0.113 1.26 1.0

Structural parameters were provided by A. Burton (2004).

SFO SSZ-51

REFINED COMPOSITION: |F8 (C7N2H11)8 O4| [Al32P32O128]

CRYSTAL DATA: C 2/c (No. 15; unique axis b, cell choice 1)a = 21.759 A b = 13.8214 A c = 14.2237 Aα = 90.0◦ β = 98.849◦ γ = 90.0◦


REFERENCE: R. E. Morris, A. Burton, L. M. Bull and S. I. Zones,Chem. Mater. 16 2844–2851 (2004).

Atom x y z Biso occ

P 1 0.05959 0.12051 0.01465 0.92 1.0P 2 0.17164 -0.21536 -0.10591 0.72 1.0P 3 0.26241 0.11092 0.06219 0.70 1.0P 4 0.15797 -0.11435 0.20493 0.84 1.0Al 5 0.16167 0.20348 -0.09108 0.72 1.0Al 6 0.08374 -0.10027 0.00792 1.02 1.0Al 7 0.24608 -0.10860 0.05953 0.97 1.0Al 8 0.16015 0.10872 0.19667 0.90 1.0F 0.16788 -0.04470 0.0268 1.41 1.0O 1 0.22897 -0.1626 -0.0550 0.99 1.0O 2 0.06186 0.0180 -0.0248 1.78 1.0O 3 0.22339 0.1355 -0.0337 0.98 1.0O 4 0.11318 -0.1871 -0.0648 1.18 1.0O 5 0.22535 0.1317 0.1424 1.18 1.0O 6 0.09876 -0.1272 0.1326 1.09 1.0O 7 -0.00718 0.1541 0.0104 1.11 1.0O 8 0.28447 0.00570 0.0636 0.99 1.0O 9 0.15195 0.1788 -0.2107 1.27 1.0O 10 0.17882 0.32662 -0.0764 0.92 1.0O 11 0.18042 -0.3253 -0.0945 0.89 1.0O 12 0.09318 0.1886 -0.0449 1.49 1.0O 13 0.16196 0.1915 0.2881 1.18 1.0O 14 0.21551 -0.1449 0.1634 1.41 1.0O 15 0.09222 0.1252 0.1172 2.00 1.0O 16 0.16478 -0.0090 0.2400 1.29 1.0N 1 0.5645 0.0736 0.8922 2.87 1.0H 1 0.603 0.0952 0.9014 3.47 1.0C 2 0.5183 0.1371 0.8795 2.88 1.0H 2 0.5273 0.2044 0.8815 3.47 1.0C 3 0.4587 0.1067 0.8638 2.58 1.0H 3 0.426 0.1529 0.8536 3.08 1.0C 4 0.4440 0.0056 0.8622 1.50 1.0C 5 0.4951 -0.0583 0.8771 2.46 1.0H 5 0.4881 -0.1261 0.8772 2.92 1.0C 6 0.5548 -0.0236 0.8915 2.83 1.0H 6 0.5891 -0.067 0.9008 3.40 1.0N 7 0.3847 -0.0218 0.8470 2.64 1.0C 8 0.3332 0.0453 0.8325 3.50 1.0H 8 0.3378 0.0925 0.8845 4.18 1.0H 8 0.2941 0.0098 0.8312 4.18 1.0

continued . . .

SFOSSZ-51


Atom x y z Biso occ

H 8 0.3328 0.0791 0.7718 4.18 1.0C 9 0.3698 -0.1260 0.8446 4.11 1.0H 9 0.3974 -0.1602 0.8075 4.97 1.0H 9 0.3265 -0.1354 0.8151 4.97 1.0H 9 0.3756 -0.1515 0.9097 4.97 1.0O 1 0.5 -0.2701 0.75 4.82 0.6O 2 0.5 -0.413 0.75 4.18 0.2O 3 0.5 0.311 0.75 5.37 0.2

SGT 1-aminoadamantane Sigma-2




REFERENCE: L. B. McCusker,J. Appl. Cryst. 21 305–310 (1988).

Atom x y z Biso occ

Si 1 0.2843 0.2500 0.1182 0.08 1.0Si 2 0.2811 0.0000 0.0000 0.16 1.0Si 3 0.1539 0.2500 0.0349 0.08 1.0Si 4 0.1510 0.2500 0.1954 0.24 1.0O 1 0.0000 0.2500 0.2072 1.03 1.0O 2 0.2165 0.1201 0.2131 1.03 1.0O 3 0.2297 0.2500 0.0754 0.32 1.0O 4 0.1689 0.2500 0.1493 0.55 1.0O 5 0.0000 0.2500 0.043 1.5 1.0O 6 0.1913 0.1219 0.010 0.63 1.0O 7 0.3729 0.1229 0.125 1.66 1.0C 1 0.124 -0.126 0.125 7.9 0.3C 2 0.000 -0.250 0.073 7.9 0.3C 3 0.000 -0.126 0.099 7.9 0.3C 4 0.000 -0.003 0.103 7.9 0.46C 5 0.115 -0.151 0.086 7.9 0.53C 6 0.000 -0.077 0.145 7.9 0.47

SIVSIZ-7

REFINED COMPOSITION: [Co12.8Al19.2P32O128]


X-ray single crystal refinement, Rw = 0.060, R2w = 0.200

REFERENCE: E. R. Parnham and R. E. Morris,J. Am. Chem. Soc. 128 2204–2205 (2006).

Atom x y z Biso occ

Co 1 0.14313 0.14156 0.36813 2.00 0.75Al 1 0.14313 0.14156 0.36813 2.00 0.25Co 2 0.6367 0.02467 0.30798 1.38 0.35Al 2 0.6367 0.02467 0.30798 1.38 0.65Co 3 -0.14425 -0.00331 0.4415 1.38 0.35Al 3 -0.14425 -0.00331 0.4415 1.38 0.65Co 4 0.35305 -0.12646 0.38162 1.29 0.15Al 4 0.35305 -0.12646 0.38162 1.29 0.85P 1 0.33433 0.02713 0.30251 1.75 1.0P 2 0.16042 -0.0142 0.44591 1.89 1.0P 3 -0.16274 0.15241 0.36553 1.82 1.0P 4 0.655 -0.13356 0.38365 1.89 1.0O 1 0.469 0.0665 0.31158 2.65 1.0O 2 0.5176 -0.1176 0.40153 3.43 1.0O 3 0.0218 -0.0449 0.43524 3.27 1.0O 4 0.316 -0.0628 0.32936 3.10 1.0O 5 0.1875 0.0794 0.42384 3.21 1.0O 6 -0.0299 0.1314 0.34604 3.29 1.0O 7 0.6861 0.0029 0.24868 5.37 1.0O 8 0.2521 -0.0874 0.42755 4.72 1.0O 9 -0.1769 0.1074 0.41293 3.58 1.0O 10 0.6666 -0.0868 0.3365 3.49 1.0O 11 0.2317 0.0967 0.31535 4.87 1.0O 12 0.3146 -0.2438 0.3693 5.42 1.0O 13 -0.1861 0.0096 0.50182 5.16 1.0O 14 0.1847 0.2654 0.3793 6.13 1.0O 15 0.7328 0.1175 0.33236 5.60 1.0O 16 -0.2492 -0.0936 0.41838 5.58 1.0

SOD Sodalite Octahydrate


CRYSTAL DATA: P43n (No. 218)a = 8.848 A b = 8.848 A c = 8.848 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: J. Felsche, S. Luger and Ch. Baerlocher,Zeolites 6 367–372 (1986).

Atom x y z Biso occ

Na 0.1504 0.1504 0.1504 3.71 0.75Si 0.25 0.0 0.5 0.79 1.0Al 0.25 0.5 0.0 1.18 1.0O 0.1366 0.4338 0.1490 1.5 1.0H2O 0.3753 0.3753 0.3753 3.08 1.0

SODBicchulite

REFINED COMPOSITION: |Ca8(OH)8| [Si4Al8O24]Synthetic material



REFERENCE: K. Sahl,Z. Kristallogr. 152 13–21 (1980).

Atom x y z Biso occ

Ca 0.1434 0.1434 0.1434 0.75 1.0Si 0.25 0.5 0.0 0.49 0.3333Al 0.25 0.5 0.0 0.49 0.6667O 0.1407 0.1407 0.4220 0.94 1.0OH 0.3845 0.3845 0.3845 0.93 1.0H 0.328 0.328 0.328 0.0 1.0

SOD Tugtupite

REFINED COMPOSITION: |Na8Cl2| [Si8Al2Be2O24]Ilimaussaq, South Greenland



REFERENCE: I. Hassan and H. D. Grundy,Canadian Mineralogist 29 385–390 (1991).

Atom x y z Biso occ

Na 0.1563 0.1972 0.1818 1.48 1.0Cl 0.0 0.0 0.0 1.85 1.0Si 0.0127 0.2533 0.4958 0.58 1.0Al 0.0 0.5 0.75 0.6 1.0Be 0.0 0.5 0.25 0.77 1.0O 1 0.1504 0.1343 0.4417 0.97 1.0O 2 0.3472 0.0385 0.6488 0.94 1.0O 3 0.4256 0.1486 0.1377 0.95 1.0

SOSSU-16

REFINED COMPOSITION: |(C4H15N3)4| [B8Ge16O48]



REFERENCE: Y. Li and X. Zou,Angew. Chem., Int. Ed. 117 2048–2051 (2005).

Atom x y z Biso occ

Ge 1 0.44769 0.92488 0.20378 0.97 1.0Ge 2 0.55025 1.22809 0.1728 0.94 1.0Ge 3 0.74819 0.91223 0.08802 1.16 1.0Ge 4 0.24464 1.15354 0.06335 1.04 1.0B 1 0.1081 0.9612 0.1391 0.87 1.0B 2 -0.1137 1.1496 0.1183 0.95 1.0O 1 0.3987 1.2552 0.10543 1.39 1.0O 2 0.2047 0.8949 0.19389 1.29 1.0O 3 0.4995 1.087 0.21617 1.43 1.0O 4 0.7309 1.0752 0.08322 1.35 1.0O 5 0.0102 1.2084 0.06705 1.32 1.0O 6 0.5948 0.8484 0.14707 1.52 1.0O 7 -0.0001 1.0703 0.16222 1.11 1.0O 8 0.7894 1.2503 0.15503 1.27 1.0O 9 0.5231 0.8528 0.27676 1.53 1.0O 10 0.9799 0.8662 0.10641 1.36 1.0O 11 0.2616 1.0002 0.09239 1.28 1.0O 12 0.3278 1.1651 -0.01695 1.61 1.0N 1 -0.0725 0.6863 0.2192 1.97 1.0H 21 -0.0451 0.6537 0.2583 2.37 1.0H 21 -0.1804 0.732 0.2218 2.37 1.0H 21 0.0239 0.7362 0.2063 2.37 1.0N 2 0.2324 0.5697 0.1353 4.30 1.0H 21 0.3212 0.6164 0.1523 5.13 1.0N 3 0.2743 0.7516 0.0312 1.91 1.0H 31 0.1478 0.7659 0.0317 2.29 1.0H 31 0.3276 0.7946 -0.0017 2.29 1.0H 31 0.3257 0.7772 0.0689 2.29 1.0C 1 -0.0992 0.5815 0.1714 2.42 1.0H 1 -0.1294 0.6167 0.1288 2.92 1.0H 1 -0.206 0.528 0.1849 2.92 1.0C 2 0.0836 0.5019 0.1671 2.87 1.0H 2 0.1255 0.4788 0.2108 3.47 1.0H 2 0.0568 0.424 0.1433 3.47 1.0C 3 0.1941 0.5376 0.0592 2.84 0.675H 3 0.2242 0.449 0.0504 3.47 0.675H 3 0.0597 0.5522 0.0484 3.47 0.675C 3 0.372 0.56 0.0907 2.68 0.325H 3 0.407 0.471 0.0855 3.16 0.325H 3 0.4854 0.6054 0.1061 3.16 0.325

continued . . .

SOS SU-16


Atom x y z Biso occ

C 4 0.3098 0.6156 0.0225 3.88 1.0H 4 0.2917 0.5945 -0.0233 4.66 1.0H 4 0.4432 0.598 0.0334 4.66 1.0

SSYSSZ-60




REFERENCE: A. Burton and S. Elomari,J. Chem. Soc., Chem. Commun. 2618–2619 (2004).

Atom x y z Biso occ

Si 1 0.0 0.1398 0.996 2.46 1.0Si 2 -0.1295 0.2195 0.962 2.46 1.0Si 3 -0.197 0.4046 0.069 2.46 1.0Si 4 0.6276 0.0805 0.98 2.46 1.0Si 5 0.0 0.009 0.495 2.46 1.0Si 6 0.72 0.3817 0.568 2.46 1.0Si 7 0.6756 0.1768 0.478 2.46 1.0Si 8 -0.1845 0.1251 0.464 2.46 1.0O 1 -0.2255 0.387 0.36 1.26 1.0O 2 0.6315 0.12 0.676 1.26 1.0O 3 0.6763 0.2915 0.543 1.26 1.0O 4 0.6778 0.4811 0.541 1.26 1.0O 5 0.7437 0.138 0.503 1.26 1.0O 6 0.0 0.098 0.696 1.26 1.0O 7 -0.1425 0.3351 0.009 1.26 1.0O 8 -0.0587 0.208 0.022 1.26 1.0O 9 0.0 0.052 0.197 1.26 1.0O 10 -0.1683 0.156 0.161 1.26 1.0O 11 -0.1678 0.014 0.51 1.26 1.0O 12 0.5584 0.058 0.04 1.26 1.0O 13 -0.1468 0.194 0.66 1.26 1.0O 14 0.7488 0.385 0.86 1.26 1.0O 15 0.6519 0.1633 0.177 1.26 1.0

Coordinates were transformed from the P21nm setting.Thermal parameters are from A. Burton, personal communication (2004).

STF SSZ-35, Calcined




REFERENCE: P. Wagner, S. I. Zones, M. E. Davis and R. C. Medrud,Angew. Chem., Int. Ed. 38 1269–1272 (1999).

Atom x y z Biso occ

Si 1 0.36019 0.35630 0.61106 1.04 1.0Si 2 0.41221 0.42852 0.21918 1.49 1.0Si 3 0.14209 0.64205 0.40966 1.72 1.0Si 4 0.36181 0.85678 0.57148 2.06 1.0Si 5 0.13396 0.44151 0.67151 1.52 1.0Si 6 0.23859 0.56731 0.04636 1.77 1.0Si 7 0.46001 0.75796 0.92351 2.31 1.0Si 8 0.55968 0.87468 0.30376 1.76 1.0O 1 0.36502 0.37709 0.40067 1.87 1.0O 2 0.23168 0.36461 0.67114 0.89 1.0O 3 0.47018 0.45770 0.73017 3.15 1.0O 4 0.37472 0.22510 0.64375 2.07 1.0O 5 0.30673 0.47043 0.10734 2.60 1.0O 6 0.44890 0.32523 0.09908 2.49 1.0O 7 0.22725 0.77005 0.50790 1.84 1.0O 8 0.16588 0.54074 0.53230 2.01 1.0O 9 0.17639 0.61558 0.20899 2.46 1.0O 10 0.00178 0.64477 0.39598 1.13 1.0O 11 0.43707 0.85788 0.39827 3.01 1.0O 12 0.35217 0.99191 0.62479 1.61 1.0O 13 0.43055 0.81119 0.73707 2.31 1.0O 14 0.13629 0.50548 0.87315 1.20 1.0O 15 0.33382 0.67945 0.98040 2.47 1.0O 16 0.52218 0.86584 0.08546 1.83 1.0

STIStilbite

REFINED COMPOSITION: |Na1.76Ca4(H2O)29.4| [Si25.68Al10.32O72]Iceland



REFERENCE: E. Galli,Acta Cryst. B27 833–841 (1971).

Atom x y z Biso occ

Na 0.5055 0.0659 0.0392 4.28 0.22Ca 0.2805 0.0 0.0949 2.15 1.0Si 1 0.4830 0.3042 0.2420 0.46 0.5Si 2 0.2653 0.3097 0.2619 0.33 0.73Si 3 0.1892 0.0893 0.4846 0.40 0.73Si 4 0.1124 0.3166 0.5013 0.43 1.0Si 5 0.0 0.2610 0.0 0.42 0.5Al 1 0.4830 0.3042 0.2420 0.46 0.5Al 2 0.2653 0.3097 0.2619 0.33 0.27Al 3 0.1892 0.0893 0.4846 0.40 0.27Al 5 0.0 0.2610 0.0 0.42 0.5O 1 0.4645 0.2911 0.0842 1.40 1.0O 2 0.1164 0.3162 0.1189 1.38 1.0O 3 0.0512 0.2661 0.3516 2.03 1.0O 4 0.0638 0.1199 0.3226 1.41 1.0O 5 0.2935 0.2308 0.3453 2.01 1.0O 6 0.3001 0.3796 0.3714 1.76 1.0O 7 0.3406 0.3162 0.1914 1.40 1.0O 8 0.3157 0.1119 0.5024 1.78 1.0O 9 0.1863 0.0 0.4876 1.75 1.0O 10 0.0 0.3509 0.5 1.15 1.0H2O 1 0.1347 0.0776 0.1067 7.45 0.84H2O 2 0.3306 0.1258 0.1013 4.71 0.91H2O 3 0.3691 0.0 0.3549 3.58 0.85H2O 4 0.5124 0.0 0.2416 9.98 1.0H2O 5 0.4028 0.5 0.1632 4.72 1.0H2O 6 0.1712 0.5 0.1040 10.16 1.0

STI Stellerite

REFINED COMPOSITION: |Ca8(H2O)55.52| [Si56Al16O144]Villanova-Monteleone, Sardinia, Italy




Atom x y z Biso occ

Ca 0.5 0.0 0.2910 3.23 1.0Si 1 0.3857 0.3072 0.3769 0.78 0.778Si 3 0.3013 0.4112 0.5 0.85 0.778Si 4 0.3883 0.1833 0.5 0.83 0.778Si 5 0.25 0.25 0.25 1.04 0.778Al 1 0.3857 0.3072 0.3769 0.78 0.222Al 3 0.3013 0.4112 0.5 0.85 0.222Al 4 0.3883 0.1833 0.5 0.83 0.222Al 5 0.25 0.25 0.25 1.04 0.222O 1 0.3175 0.3046 0.3018 2.46 1.0O 3 0.3721 0.2321 0.4251 3.07 1.0O 4 0.3577 0.3802 0.4239 2.87 1.0O 7 0.5 0.3141 0.3493 2.1 1.0O 8 0.3135 0.1129 0.5 2.37 1.0O 9 0.3100 0.5 0.5 2.44 1.0O 10 0.5 0.1495 0.5 2.13 1.0H2O 1 0.395 0.098 0.313 4.9 0.2H2O 2 0.5 0.128 0.303 7.8 0.8H2O 3 0.459 0.0 0.423 3.3 0.37H2O 4 0.376 0.0 0.390 13.0 0.45H2O 5 0.459 0.5 0.339 4.5 0.43H2O 6 0.368 0.5 0.312 10.8 0.62H2O 7 0.321 0.056 0.288 9.1 0.2

STIBarrerite

REFINED COMPOSITION: |Na9.812K1.912Mg0.032Ca1.52(H2O)58.56| [Si55.58Al16.42O144]Capo Pula, Sardinia, Italy

CRYSTAL DATA: Amma (No. 63; cab setting)a = 13.643 A b = 18.200 A c = 17.842 Aα = 90◦ β = 90◦ γ = 90◦



Atom x y z Biso occ

Na 1 0.25 0.0 0.0417 10.05 0.521Na 11 0.25 0.0 0.4558 3.82 0.442Na 2 0.0482 0.0624 0.0446 12.98 0.101Na 21 0.0369 0.0634 0.4792 18.26 0.181Na 3 0.1611 0.0 0.2386 15.68 0.181K 1 0.25 0.0 0.0417 10.05 0.102K 11 0.25 0.0 0.4558 3.82 0.086K 2 0.0482 0.0624 0.0446 12.98 0.02K 21 0.0369 0.0634 0.4792 18.26 0.035K 3 0.1611 0.0 0.2386 15.68 0.035Mg 1 0.25 0.0 0.0417 10.05 0.001Mg 11 0.25 0.0 0.4558 3.82 0.001Mg 21 0.0369 0.0634 0.4792 18.26 0.001Mg 3 0.1611 0.0 0.2386 15.68 0.001Ca 1 0.25 0.0 0.0417 10.05 0.08Ca 11 0.25 0.0 0.4558 3.82 0.068Ca 2 0.0482 0.0624 0.0446 12.98 0.016Ca 21 0.0369 0.0634 0.4792 18.26 0.028Ca 3 0.1611 0.0 0.2386 15.68 0.028Si 1 0.1356 0.3037 0.1245 1.19 0.772Si 2 0.1363 0.3122 0.3724 1.21 0.772Si 3 0.0512 0.4110 0.2433 1.21 0.772Si 4 0.1386 0.1846 0.2541 1.05 0.772Si 5 0.0 0.2399 0.0 1.40 0.772Al 1 0.1356 0.3037 0.1245 1.19 0.228Al 2 0.1363 0.3122 0.3724 1.21 0.228Al 3 0.0512 0.4110 0.2433 1.21 0.228Al 4 0.1386 0.1846 0.2541 1.05 0.228Al 5 0.0 0.2399 0.0 1.40 0.228O 1 0.0699 0.2937 0.0495 2.86 1.0O 11 0.0664 0.3136 0.4475 2.73 1.0O 3 0.1195 0.2338 0.1806 2.95 1.0O 31 0.1247 0.2331 0.3299 2.32 1.0O 4 0.1062 0.3806 0.1677 3.13 1.0O 41 0.1060 0.3810 0.3188 3.01 1.0O 7 0.25 0.3104 0.0971 2.76 1.0O 71 0.25 0.3219 0.4007 2.21 1.0O 8 0.0656 0.1142 0.2550 2.54 1.0O 9 0.0546 0.5 0.2435 2.79 1.0

continued . . .

STI Barrerite


Atom x y z Biso occ

O 10 0.25 0.1508 0.2540 2.13 1.0H2O 1 0.1911 0.1160 0.0519 10.3 0.49H2O 11 0.0894 0.0824 0.4356 8.1 0.41H2O 2 0.25 0.1259 0.0557 2.3 0.32H2O 21 0.25 0.1313 0.4421 9.3 0.91H2O 3 0.1750 0.0 0.1764 7.4 0.38H2O 31 0.2177 0.0 0.3221 6.0 0.46H2O 4 0.0915 0.0 0.1217 13.7 0.50H2O 41 0.1479 0.0 0.3869 14.2 0.50H2O 5 0.2174 0.5 0.0917 2.9 0.20H2O 51 0.1966 0.5 0.4154 8.0 0.42H2O 6 0.1251 0.5 0.0607 8.1 0.83H2O 61 0.0814 0.5 0.4349 11.4 0.50H2O 8 0.25 0.5 0.1615 19.9 0.50H2O 81 0.25 0.5 0.3615 1.2 0.50

STTSSZ-23

REFINED COMPOSITION: |C52N4F2.84| [Si64O128]

CRYSTAL DATA: P1 21/n 1 (No. 14; unique axis b, cell choice 2)a = 12.9594 A b = 21.7919 A c = 13.5980 Aα = 90.0◦ β = 101.855◦ γ = 90.0◦

X-ray single crystal refinement, RFobs= 0.0811, wRF2 = 0.1657

REFERENCE: M. A. Camblor, M.-J. Diaz-Cabanas, J. Perez-Pariente, S. J. Teat,W. Clegg, I. J. Shannon, P. Lightfoot, P. A. Wright and R. E. Morris,Angew. Chem., Int. Ed. 37 2122–2126 (1998).

Atom x y z Biso occ

Si 1 0.59105 0.16686 0.20389 0.77 1.0Si 2 0.6351 0.16809 0.44152 1.0 1.0Si 3 0.69632 0.57232 -0.0374 0.84 1.0Si 4 0.66614 0.49124 0.13311 0.74 1.0Si 5 0.6625 0.29875 0.21813 0.88 1.0Si 6 0.6889 0.30373 0.44861 0.88 1.0Si 7 0.5039 0.4046 0.1951 1.17 1.0Si 8 0.4663 0.09638 0.52554 0.93 1.0Si 9 0.7777 0.55142 0.33339 0.92 1.0Si 10 0.36884 0.00001 0.37794 0.65 1.0Si 11 0.1541 0.50214 0.35464 0.94 1.0Si 12 0.8221 0.38557 0.1683 1.05 1.0Si 13 0.5381 0.41447 0.424 1.6 1.0Si 14 0.8892 0.37328 0.55406 0.85 1.0Si 15 0.3487 0.46238 0.503 1.26 1.0Si 16 0.9363 0.44089 0.3693 1.29 1.0O 1 0.638 0.5326 0.0329 1.07 1.0O 2 0.5926 0.166 0.3221 1.91 1.0O 3 0.9008 0.4015 0.2708 2.76 1.0O 4 0.6618 0.236 0.4841 1.5 1.0O 5 0.5436 0.145 0.493 1.74 1.0O 6 0.7546 0.3237 0.1668 1.41 1.0O 7 0.7534 0.4429 0.1182 1.72 1.0O 8 0.6365 0.2305 0.1751 1.24 1.0O 9 0.4366 0.4154 0.4794 1.84 1.0O 10 0.9431 0.3958 0.4641 1.61 1.0O 11 0.3965 0.1321 0.5894 1.04 1.0O 12 0.5605 0.4591 0.1489 1.64 1.0O 13 0.6119 0.6022 -0.1252 1.48 1.0O 14 0.7357 0.1251 0.4725 2.05 1.0O 15 0.4869 0.4187 0.3065 2.12 1.0O 16 0.3942 0.0661 0.4285 1.48 1.0O 17 0.7114 0.5353 0.2244 1.73 1.0O 18 0.6618 0.1137 0.1752 2.38 1.0O 19 0.4741 0.1588 0.1421 1.82 1.0O 20 0.5929 0.3488 0.4575 1.65 1.0O 21 0.5313 0.0435 0.5938 1.82 1.0O 22 0.255 0.4651 0.4069 2.14 1.0O 23 0.7727 0.5288 -0.0852 2.43 1.0O 24 0.6977 0.5644 0.4059 2.37 1.0

continued . . .

STT SSZ-23


Atom x y z Biso occ

O 25 0.1585 0.5697 0.4003 2.08 1.0O 26 0.7033 0.2962 0.3361 1.78 1.0O 27 0.558 0.3389 0.1887 1.64 1.0O 28 0.8602 0.498 0.3767 1.93 1.0O 29 0.0522 0.466 0.3707 2.84 1.0O 30 0.3415 0.0086 0.2609 2.31 1.0O 31 0.7965 0.3253 0.5173 1.73 1.0O 32 0.6054 0.4709 0.4705 2.92 1.0N 0.2428 0.7703 0.155 6.4 1.0C 1 0.3457 0.7267 0.1737 2.68 1.0C 2 0.5292 0.7219 0.1601 13.5 1.0C 3 0.3687 0.7103 0.2776 9.16 1.0C 4 0.4504 0.6122 0.2391 6.16 1.0C 5 0.4773 0.6709 0.2948 7.66 1.0C 6 0.2674 0.8296 0.2124 8.29 1.0C 7 0.5595 0.7035 0.2696 10.82 1.0C 8 0.3194 0.6723 0.1102 10.26 1.0C 9 0.4313 0.2629 0.1453 7.9 1.0C 10 0.425 0.63 0.1223 11.76 1.0C 11 0.1602 0.7437 0.1979 16.19 1.0C 12 0.5153 0.6654 0.1113 12.48 1.0C 13 0.2111 0.7845 0.0455 14.84 1.0F 1 0.7395 0.404 0.2683 1.97 0.317F 2 0.6632 0.4191 0.3659 1.97 0.262F 3 0.6473 0.414 0.2743 1.97 0.131

SZRSUZ-4, anhydrous




REFERENCE: S. L. Lawton, J. M. Bennett, J. L. Schlenker and M. K. Rubin,J. Chem. Soc., Chem. Commun. 894–896 (1993);K. G. Strohmaier, M. Afeworki and D. L. Dorset,Z. Kristallogr. 221 689–698 (2006).

Atom x y z Biso occ

Si 1 0.0818 0.1976 0.2926 1.03 1.0Si 2 0.1463 0.0 0.2905 1.03 1.0Si 3 0.2677 0.0 0.0 1.03 1.0Si 4 0.1726 0.2974 0.0 1.03 1.0O 1 0.0 0.2209 0.2449 1.82 1.0O 2 0.0995 0.0916 0.2387 1.82 1.0O 3 0.2195 0.0 0.1796 1.82 1.0O 4 0.25 0.25 0.0 1.82 1.0O 5 0.3196 0.0906 0.0 1.82 1.0O 6 0.1309 0.2683 0.1811 1.82 1.0O 7 0.1677 0.0 0.5 1.82 1.0O 8 0.0992 0.2173 0.5 1.82 1.0K 1 0.0 0.0 0.0 4.50 1.0K 2 0.25 0.25 0.5 37.19 0.191K 3 0.2151 0.4015 0.5 1.97 0.137

SZR SUZ-4, hydrated




REFERENCE: K. G. Strohmaier, M. Afeworki and D. L. Dorset,Z. Kristallogr. 221 689–698 (2006).

Atom x y z Biso occ

Si 1 0.0832 0.3504 0.2141 1.18 1.00Si 2 0.1515 0.3531 0.0139 1.18 1.00Si 3 0.2655 0.0 0.0 1.18 1.00Si 4 0.1716 -0.0044 0.3002 1.18 1.00Si 5 0.0827 0.8597 0.184 1.18 1.00O 1 0.1015 0.3721 0.1049 1.97 1.00O 2 0.1077 0.25 0.2395 1.97 1.00O 3 0.1277 0.415 0.2819 1.97 1.00O 4 0.0 0.366 0.2335 1.97 1.00O 5 0.1746 0.25 0.01 1.97 1.00O 6 0.1063 0.383 -0.077 1.97 1.00O 7 0.2204 0.4121 0.0208 1.97 1.00O 8 0.3149 0.0207 -0.0899 1.97 1.00O 9 0.1279 -0.0902 0.262 1.97 1.00O 10 0.25 0.0031 0.25 1.97 1.00O 11 0.0947 0.75 0.2036 1.97 1.00O 12 0.0 0.8854 0.1964 1.97 1.00K 0.0 0.0 0.0 1.18 0.814

The water positions could not be identified.

TERTerranovaite

REFINED COMPOSITION: |Na4.23K0.167Mg0.167Ca3.74| [Al12.32Si67.68O160]Mt. Adamson, N. Victoria Land, Antarctica



REFERENCE: E. Galli, S. Quartieri, G. Vezzalini, A. Alberti and M. Franzini,American Mineralogist 82 423–429 (1997).

Atom x y z Biso occ

Si 1 0.0 0.4524 0.3281 1.01 0.846Al 1 0.0 0.4524 0.3281 1.01 0.154Si 2 0.0 0.5440 0.4396 1.18 0.846Al 2 0.0 0.5440 0.4396 1.18 0.154Si 3 0.7919 0.3604 0.3728 1.28 0.846Al 3 0.7919 0.3604 0.3728 1.28 0.154Si 4 0.7917 0.6392 0.4694 1.13 0.846Al 4 0.7917 0.6392 0.4694 1.13 0.154Si 5 0.0 0.1806 0.4414 1.07 0.846Al 5 0.0 0.1806 0.4414 1.07 0.154Si 6 0.0 0.7321 0.4365 1.01 0.846Al 6 0.0 0.7321 0.4365 1.01 0.154Si 7 0.0 0.2697 0.3272 1.15 0.846Al 7 0.0 0.2697 0.3272 1.15 0.154Si 8 0.0 0.8252 0.3289 1.02 0.846Al 8 0.0 0.8252 0.3289 1.02 0.154O 1 0.0 0.4692 0.25 3.41 1.0O 2 0.0 0.5113 0.3679 3.97 1.0O 3 0.1367 0.4160 0.3453 3.74 1.0O 4 0.0 0.5 0.5 5.66 1.0O 5 0.8630 0.5836 0.4415 3.97 1.0O 6 0.1958 0.3583 0.4512 5.04 1.0O 7 0.6325 0.3623 0.3488 3.16 1.0O 8 0.8661 0.3057 0.3415 3.47 1.0O 9 0.3663 0.6374 0.4453 2.34 1.0O 10 0.8655 0.6932 0.4377 3.03 1.0O 11 0.0 0.2124 0.3685 2.93 1.0O 12 0.0 0.7751 0.4970 3.09 1.0O 13 0.0 0.7648 0.3656 2.39 1.0O 14 0.0 0.2515 0.25 3.28 1.0O 15 0.0 0.8123 0.25 4.01 1.0Na 1 0.0 0.0458 0.4442 0.7 0.03632Na 2 0.0 0.0403 0.25 1.6 0.05564Na 3 0.3578 0.4603 0.25 9.2 0.07573Na 4 0.1457 0.0399 0.3495 9.5 0.05718Na 5 0.0 0.6982 0.25 9.5 0.04327Na 6 0.0 0.9509 0.4405 9.5 0.04327Na 7 0.9089 0.1288 0.25 9.5 0.04327Na 8 0.3519 0.4804 0.4598 8.2 0.02859

continued . . .

TER Terranovaite


Atom x y z Biso occ

Na 9 0.0 0.9651 0.3547 4.1 0.02009Na 10 0.0 0.5972 0.25 11.8 0.04327Na 11 0.3056 0.1983 0.25 9.5 0.03709Na 12 0.1901 0.0815 0.1907 8.7 0.01545K 1 0.0 0.0458 0.4442 0.7 0.00142K 2 0.0 0.0403 0.25 1.6 0.00218K 3 0.3578 0.4603 0.25 9.2 0.00297K 4 0.1457 0.0399 0.3495 9.5 0.00224K 5 0.0 0.6982 0.25 9.5 0.00170K 6 0.0 0.9509 0.4405 9.5 0.00170K 7 0.9089 0.1288 0.25 9.5 0.00170K 8 0.3519 0.4804 0.4598 8.2 0.00112K 9 0.0 0.9651 0.3547 4.1 0.00079K 10 0.0 0.5972 0.25 11.8 0.00170K 11 0.3056 0.1983 0.25 9.5 0.00145K 12 0.1901 0.0815 0.1907 8.7 0.00061Mg 1 0.0 0.0458 0.4442 0.7 0.00142Mg 2 0.0 0.0403 0.25 1.6 0.00218Mg 3 0.3578 0.4603 0.25 9.2 0.00297Mg 4 0.1457 0.0399 0.3495 9.5 0.00224Mg 5 0.0 0.6982 0.25 9.5 0.00170Mg 6 0.0 0.9509 0.4405 9.5 0.00170Mg 7 0.9089 0.1288 0.25 9.5 0.00170Mg 8 0.3519 0.4804 0.4598 8.2 0.00112Mg 9 0.0 0.9651 0.3547 4.1 0.00079Mg 10 0.0 0.5972 0.25 11.8 0.00170Mg 11 0.3056 0.1983 0.25 9.5 0.00145Mg 12 0.1901 0.0815 0.1907 8.7 0.00061Ca 1 0.0 0.0458 0.4442 0.7 0.03205Ca 2 0.0 0.0403 0.25 1.6 0.04909Ca 3 0.3578 0.4603 0.25 9.2 0.06682Ca 4 0.1457 0.0399 0.3495 9.5 0.05045Ca 5 0.0 0.6982 0.25 9.5 0.03818Ca 6 0.0 0.9509 0.4405 9.5 0.03818Ca 7 0.9089 0.1288 0.25 9.5 0.03818Ca 8 0.3519 0.4804 0.4598 8.2 0.02523Ca 9 0.0 0.9651 0.3547 4.1 0.01773Ca 10 0.0 0.5972 0.25 11.8 0.03818Ca 11 0.3056 0.1983 0.25 9.5 0.03273Ca 12 0.1901 0.0815 0.1907 8.7 0.01364

Real symmetry is probably C 2/c m.The Na, K, Mg and Ca cations share the same sites in the ratio (Na0.51K0.02Mg0.02Ca0.45).

THOThomsonite

REFINED COMPOSITION: |Na4Ca11.2Sr0.8(H2O)24| [Si20Al20O80]Death Valley, California, U.S.A.

CRYSTAL DATA: Pncn (No. 52; bca setting)a = 13.088 A b = 13.052 A c = 13.229 Aα = 90◦ β = 90◦ γ = 90◦

Neutron single crystal refinement, RF2 = 0.048

REFERENCE: J. J. Pluth, J. V. Smith and A. Kvick,Zeolites 5 74–80 (1985).

Atom x y z Biso occ

Na 0.0582 0.50360 0.36141 1.22 0.5Ca 1 0.0582 0.50360 0.36141 1.22 0.5Ca 2 0.49939 0.47837 0.49952 1.34 0.9Sr 0.49939 0.47837 0.49952 1.34 0.1Si 1 0.25 0.25 0.6885 0.51 1.0Si 2 0.11291 0.69558 0.50065 0.51 1.0Si 3 0.3082 0.38501 0.37805 0.49 1.0Al 1 0.25 0.75 0.69049 0.48 1.0Al 2 0.11939 0.30543 0.49655 0.5 1.0Al 3 0.30947 0.62405 0.38045 0.51 1.0O 1 0.16863 0.31051 0.61839 0.97 1.0O 2 0.15818 0.69179 0.61444 0.95 1.0O 3 0.31248 0.33136 0.75655 0.97 1.0O 4 0.31152 0.65725 0.76318 0.98 1.0O 5 0.00216 0.63793 0.50143 0.74 1.0O 6 0.1838 0.6298 0.42414 1.02 1.0O 7 0.19038 0.38476 0.41668 1.0 1.0O 8 0.10438 0.81313 0.46106 0.94 1.0O 9 0.11829 0.18031 0.45256 1.03 1.0O 10 0.35586 0.49928 0.38346 0.72 1.0O 20 0.12597 0.50192 0.18859 2.09 1.0O 21 0.39173 0.49760 0.63937 2.19 1.0O 22 0.0 0.64972 0.75 2.37 1.0O 23 0.0 0.34436 0.75 2.19 1.0H 1 0.15914 0.43727 0.66171 2.71 1.0H 2 0.15747 0.55922 0.66161 2.95 1.0H 3 0.37012 0.43800 0.67748 3.1 1.0H 4 0.37158 0.55535 0.68126 3.1 1.0H 5 0.04695 0.69037 0.71194 3.65 1.0H 6 0.05008 0.30291 0.71828 4.19 1.0


REFINED COMPOSITION: |Na31.11Ca3.93K0.96(SO4)9.3(SO3)0.7(Ca12Cl8)| [Si36Al36O144]Tultuiskoe deposit, Lake Baikal region, Russia.



REFERENCE: K. A. Rozenberg, A. N. Sapozhnikov, R. K. Rastsvetaeva,N. B. Bolotina, and A. A. Kashaev,Crystallography Reports 49 635–642 (2004).

Atom x y z Biso occ

Si 1 0.2570 0.0019 0.0000 0.4 1.0Si 2 0.9245 0.5856 0.0840 0.5 1.0Si 3 0.0036 0.2553 0.1659 0.4 1.0Si 4 0.9249 0.5854 0.2477 0.5 1.0Si 5 0.0003 0.2543 0.3318 0.7 1.0Si 6 0.3409 0.4152 0.4156 0.7 1.0Si 7 0.2552 0.0039 0.4975 0.5 1.0Si 8 0.3390 0.4140 0.5803 0.6 1.0Si 9 0.2532 -0.0024 0.6642 0.7 1.0Si 10 0.9249 0.5866 0.7477 0.9 1.0Si 11 0.2534 0.0001 0.8319 0.7 1.0Si 12 0.5870 0.9236 0.9165 0.8 1.0Al 1 0.7405 -0.0005 -0.0014 0.86 1.0Al 2 0.4026 0.0779 0.0838 0.53 1.0Al 3 0.2627 0.2601 0.1650 0.71 1.0Al 4 0.4025 0.0780 0.2476 0.43 1.0Al 5 0.2597 0.2599 0.3319 0.65 1.0Al 6 0.0772 0.4020 0.4154 0.75 1.0Al 7 0.0033 0.7405 0.4982 0.70 1.0Al 8 0.0773 0.4021 0.5805 0.69 1.0Al 9 0.7423 0.0005 0.6661 1.05 1.0Al 10 0.4020 0.0767 0.7483 0.74 1.0Al 11 0.7399 0.0005 0.8319 0.58 1.0Al 12 0.0786 0.4030 0.9160 0.37 1.0O 1 0.1205 0.8817 0.0020 1.6 1.0O 2 0.8903 0.1134 -0.0017 1.8 1.0O 3 0.3495 0.3463 0.0398 1.8 1.0O 4 0.6730 0.6657 0.0367 1.6 1.0O 5 0.5501 0.4530 0.0857 1.7 1.0O 6 0.7777 0.2118 0.0855 1.4 1.0O 7 0.3336 0.3455 0.1206 1.4 1.0O 8 0.6633 0.6756 0.1237 2.0 1.0O 9 0.8841 0.1239 0.1659 0.8 1.0O 10 0.1154 0.8833 0.1670 1.3 1.0O 11 0.3407 0.3454 0.2076 1.4 1.0O 12 0.6638 0.6710 0.2031 1.3 1.0O 13 0.5479 0.4521 0.2483 1.3 1.0O 14 0.7733 0.2039 0.2473 1.4 1.0O 15 0.3407 0.3418 0.2865 1.9 1.0

continued . . .

TOLTounkite-like mineral


Atom x y z Biso occ

O 16 0.6728 0.6744 0.2912 1.3 1.0O 17 0.8852 0.1194 0.3324 1.9 1.0O 18 0.1178 0.8872 0.3291 1.5 1.0O 19 0.3434 0.3482 0.3734 1.8 1.0O 20 0.6650 0.6695 0.3704 1.4 1.0O 21 0.4511 0.5474 0.4131 2.0 1.0O 22 0.2091 0.7696 0.4181 0.9 1.0O 23 0.3480 0.3384 0.4535 0.9 1.0O 24 0.6744 0.6603 0.4574 2.0 1.0O 25 0.1266 0.8875 0.4979 1.7 1.0O 26 0.8853 0.1151 0.4978 1.5 1.0O 27 0.3449 0.3354 0.5401 1.4 1.0O 28 0.6734 0.6631 0.5369 1.4 1.0O 29 0.4564 0.5476 0.5820 1.9 1.0O 30 0.2153 0.7763 0.5774 1.5 1.0O 31 0.3441 0.3476 0.6216 1.4 1.0O 32 0.6681 0.6743 0.6235 1.4 1.0O 33 0.1163 0.8878 0.6648 1.5 1.0O 34 0.8844 0.1209 0.6643 2.0 1.0O 35 0.3443 0.3451 0.7047 2.2 1.0O 36 0.6705 0.6772 0.7042 1.2 1.0O 37 0.5465 0.4578 0.7489 2.6 1.0O 38 0.7739 0.2146 0.7474 1.9 1.0O 39 0.3432 0.3412 0.7883 1.7 1.0O 40 0.6707 0.6664 0.7902 2.3 1.0O 41 0.1213 0.8869 0.8329 1.8 1.0O 42 0.8882 0.1196 0.8349 1.3 1.0O 43 0.3420 0.3416 0.8734 1.4 1.0O 44 0.6690 0.6695 0.8698 1.8 1.0O 45 0.4577 0.5481 0.9196 2.0 1.0O 46 0.2108 0.7774 0.9174 1.7 1.0O 47 0.3432 0.3436 0.9555 1.8 1.0O 48 0.6761 0.6704 0.9564 1.0 1.0Ca 1 0.0 0.0 0.0010 1.21 1.0Ca 2 0.0 0.0 0.1667 0.81 1.0Ca 3 0.0 0.0 0.3314 1.21 1.0Ca 4 0.0 0.0 0.4988 0.67 1.0Ca 5 0.0 0.0 0.6660 1.08 1.0Ca 6 0.0 0.0 0.8331 1.15 1.0Ca 7 0.6667 0.3333 0.0864 1.60 1.0Ca 8 0.6667 0.3333 0.2497 1.92 1.0Ca 9 0.6667 0.3333 0.7489 3.17 1.0Ca 10 0.3333 0.6667 0.4163 1.19 1.0Ca 11 0.3333 0.6667 0.9255 1.85 1.0Ca 12 0.3333 0.6667 0.5778 1.63 1.0Cl 1 0.0 0.0 0.0844 5.5 1.0Cl 2 0.0 0.0 0.2498 6.5 1.0Cl 3 0.3333 0.6667 0.4976 5.4 1.0Cl 4 0.0 0.0 0.4162 4.9 1.0Cl 5 0.0 0.0 0.5805 5.3 1.0

continued . . .



Atom x y z Biso occ

Cl 6 0.6667 0.3333 0.1711 5.8 1.0Cl 7 0.0 0.0 0.7481 4.5 1.0Cl 8 0.0 0.0 0.9171 4.9 1.0Na 1 0.5056 0.5036 -0.0009 2.8 1.0Na 2 0.2181 0.4271 0.0827 3.84 0.86Na 3 0.169 0.334 0.0767 3.2 0.14Na 4 0.4783 0.5307 0.1629 3.4 1.0Na 5 0.2208 0.4395 0.2458 3.6 1.0Na 6 0.5049 0.4996 0.3319 3.79 0.65Ca 13 0.5049 0.4996 0.3319 3.79 0.35Na 7 0.4326 0.2180 0.4153 2.87 1.0Na 8 0.5260 0.4818 0.4964 3.87 0.65Ca 14 0.5260 0.4818 0.4964 3.87 0.35Na 9 0.4415 0.2245 0.5789 3.53 1.0Na 10 0.4987 0.5099 0.6652 3.52 0.65Ca 15 0.4987 0.5099 0.6652 3.52 0.35Na 11 0.2265 0.4460 0.7509 3.63 0.48K 0.2265 0.4460 0.7509 3.63 0.32Na 12 0.213 0.411 0.7398 4.5 0.20Na 13 0.5040 0.5075 0.8328 2.92 1.0Na 14 0.4413 0.2238 0.9156 3.65 0.49Ca 16 0.4413 0.2238 0.9156 3.65 0.26Na 15 0.360 0.186 0.9129 6.6 0.25S 1 0.3333 0.6667 0.0213 5.24 1.0S 2 0.3333 0.6667 0.1713 4.0 1.0S 3 0.6667 0.3333 0.4991 2.59 1.0S 4 0.6667 0.3333 0.6382 3.39 1.0S 5 0.6667 0.3333 0.8492 3.02 1.0S 6 0.3333 0.6667 0.3068 3.3 1.0S 7 0.3333 0.6667 0.6846 3.07 1.0S 8 0.3333 0.6667 0.8141 2.99 1.0S 9 0.6667 0.3333 0.3575 2.44 1.0S 10 0.6667 0.3333 0.9786 2.63 1.0O 49 0.220 0.614 0.0510 5.6 0.70O 50 0.237 0.615 0.9951 3.6 0.30O 51 0.3333 0.6667 0.062 6.8 0.30O 52 0.235 0.618 0.2023 7.4 0.50O 53 0.3333 0.6667 0.129 7.9 0.50O 54 0.272 0.559 0.1550 8.9 0.50O 55 0.3333 0.6667 0.215 6.8 0.50O 56 0.558 0.280 0.4774 4.6 0.50O 57 0.6667 0.3333 0.5443 6.6 0.50O 58 0.5705 0.253 0.5239 5.4 0.50O 59 0.6667 0.3333 0.4544 6.2 0.50O 60 0.600 0.390 0.6313 8.3 1.0O 61 0.6667 0.3333 0.681 6.4 1.0O 62 0.627 0.407 0.8701 4.7 1.0O 63 0.6667 0.3333 0.805 6.7 1.0O 64 0.212 0.603 0.2885 7.6 1.0O 65 0.3333 0.6667 0.3471 7.5 1.0

continued . . .

TOLTounkite-like mineral


Atom x y z Biso occ

O 66 0.211 0.597 0.6969 5.8 1.0O 67 0.3333 0.6667 0.647 7.2 1.0O 68 0.2075 0.592 0.8019 7.6 1.0O 69 0.3333 0.6667 0.8553 8.7 1.0O 70 0.609 0.399 0.3669 5.7 1.0O 71 0.6667 0.3333 0.3166 5.8 1.0O 72 0.610 0.396 0.9634 6.9 1.0O 73 0.6667 0.3333 0.0214 5.0 1.0

TON Diethylamine Theta-1 (Silica ZSM-22)


CRYSTAL DATA: Cmc21 (No. 36)a = 13.859 A b = 17.420 A c = 5.038 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: B. Marler,Zeolites 7 393–397 (1987).

Atom x y z Biso occ

Si 1 0.0000 0.2737 0.25 0.67 1.0Si 2 0.0000 0.3768 0.7465 0.58 1.0Si 3 0.2951 0.0482 0.2265 0.80 1.0Si 4 0.2055 0.2112 0.1445 0.58 1.0O 1 0.0923 0.4268 0.6977 1.47 1.0O 2 0.0942 0.2224 0.2068 1.90 1.0O 3 0.2712 0.3789 0.6639 1.88 1.0O 4 0.2288 0.4800 0.0234 1.05 1.0O 5 0.2705 0.2584 0.3535 1.48 1.0O 6 0.0 0.3062 0.5441 1.60 1.0O 7 0.0 0.3450 0.0493 1.45 1.0C 1 0.5 0.5195 0.1363 22.11 0.575C 2 0.5 0.5124 0.3458 22.11 0.7

TSCTschortnerite

REFINED COMPOSITION: |K12Ca76Sr12Ba12Cu48Cl0.896O327.448(OH)128| [Si192Al192O768]Bellberg volcano, near Mayen, Eifel, Germany

CRYSTAL DATA: Fm3m (No. 225)a = 31.62 A b = 31.62 A c = 31.62 Aα = 90◦ β = 90◦ γ = 90◦

Single Crystal X-ray Refinement. R = 0.065, Rw = 0.156

REFERENCE: H. Effenberger, G. Giester, W. Krause and H.-J. Bernhardt,American Mineralogist 83 607–617 (1998).

Atom x y z Biso occ

Si 1 0.10993 0.18083 0.24967 0.92 0.5Al 1 0.10993 0.18083 0.24967 0.92 0.5Si 2 0.05044 0.12239 0.19243 0.95 0.5Al 2 0.05044 0.12239 0.19243 0.95 0.5O 1 0.0674 0.15559 0.23003 1.51 1.0O 2 0.21169 0.21169 0.13239 1.37 1.0O 3 0.21022 0.21022 0.40798 1.32 1.0O 4 0.1464 0.1464 0.26611 1.72 1.0O 5 0.14402 0.14402 0.05687 2.08 1.0O 6 0.0772 0.0772 0.19159 2.01 1.0O 7 0.11259 0.20286 0.0 2.05 1.0Ca 1 0.09965 0.09965 0.09965 2.04 1.0Ca 2 0.20984 0.20984 0.20984 1.23 1.0K 0.17945 0.27909 0.0 2.68 0.125Ca 3 0.17945 0.27909 0.0 2.68 0.125Sr 0.17945 0.27909 0.0 2.68 0.125Ba 0.17945 0.27909 0.0 2.68 0.125Cu 0.07339 0.07339 0.0 2.31 1.0OH 1 0.04506 0.04506 0.10539 2.16 1.0OH 2 0.28335 0.28335 0.28335 1.29 1.0Cl 0.0 0.0 0.0 0.87 0.224O 8 0.041 0.0 0.0 5.37 0.181O 9 0.0262 0.0262 0.0262 3.95 0.243O 10 0.1467 0.1467 0.1467 9.71 1.0O 11 0.0159 0.1842 0.0 8.76 0.305O 12 0.2087 0.2339 0.0 3.71 0.5O 13 0.0085 0.1316 0.3048 10.42 0.22O 14 0.13599 0.13559 0.13559 5.68 1.0O 15 0.0336 0.0336 0.2642 7.9 0.195O 16 0.0714 0.0888 0.3105 7.9 0.189O 17 0.0514 0.1204 0.3298 16.82 0.4

TUN TNU-9


CRYSTAL DATA: C 2/m (No. 12; unique axis b, cell choice 1)a = 28.2040 A b = 20.0430 A c = 19.4800 Aα = 90◦ β = 92.3◦ γ = 90◦


REFERENCE: F. Gramm, Ch. Baerlocher, L. B. McCusker, S. J. Warrender, P. A. Wright,B. Han, S. B. Hong, Z. Liu, T. Ohsuna and O. Terasaki,Nature 444 79–81 (2006).

Atom x y z Biso occ

Si 1 0.1057 0.1895 0.7052 1.80 1.0Si 2 0.0037 0.3059 0.1448 1.80 1.0Si 3 0.1505 0.1869 0.1668 1.80 1.0Si 4 0.0903 0.1217 0.9281 1.80 1.0Si 5 0.106 0.3068 0.0843 1.80 1.0Si 6 0.003 0.0777 0.143 1.80 1.0Si 7 0.1028 0.4253 0.7126 1.80 1.0Si 8 0.151 0.4229 0.1722 1.80 1.0Si 9 0.1009 0.0767 0.078 1.80 1.0Si 10 0.2532 0.3783 0.2245 1.80 1.0Si 11 0.1445 0.0786 0.7995 1.80 1.0Si 12 0.1645 0.3773 0.4393 1.80 1.0Si 13 0.1 0.3797 0.3085 1.80 1.0Si 14 0.2392 0.0775 0.62 1.80 1.0Si 15 0.0004 0.4233 0.2498 1.80 1.0Si 16 -0.0021 0.188 0.2534 1.80 1.0Si 17 0.2358 0.3101 0.618 1.80 1.0Si 18 0.1436 0.3084 0.8004 1.80 1.0Si 19 0.1655 0.2182 0.4331 1.80 1.0Si 20 0.1002 0.2215 0.3047 1.80 1.0Si 21 0.1641 0.4237 0.5858 1.80 1.0Si 22 0.0875 0.2788 0.9289 1.80 1.0Si 23 0.1672 0.1911 0.5794 1.80 1.0Si 24 0.2534 0.2186 0.2244 1.80 1.0O 1 0.0401 0.091 0.91 2.20 1.0O 2 0.0883 0.2001 0.936 2.17 1.0O 3 0.1247 0.106 0.869 2.17 1.0O 4 0.1097 0.089 -0.0018 2.17 1.0O 5 0.1259 0.205 0.631 2.165 1.0O 6 0.125 0.247 0.755 2.165 1.0O 7 0.125 0.119 0.733 2.165 1.0O 8 0.0484 0.19 0.701 2.165 1.0O 9 0.0477 0.095 0.098 2.165 1.0O 10 0.113 0.0 0.095 2.165 1.0O 11 0.1377 0.118 0.127 2.165 1.0O 12 0.1997 0.093 0.808 2.165 1.0O 13 0.134 0.0 0.797 2.165 1.0O 14 0.1221 0.308 0.874 2.165 1.0O 15 0.1056 0.306 0.0019 2.165 1.0O 16 0.0353 0.306 0.917 2.165 1.0

continued . . .

TUNTNU-9


Atom x y z Biso occ

O 17 0.2065 0.189 0.187 2.165 1.0O 18 0.3 0.191 0.19 2.165 1.0O 19 0.251 0.197 0.3024 2.165 1.0O 20 0.2554 0.2983 0.223 2.165 1.0O 21 0.0534 0.294 0.11 2.165 1.0O 22 0.994 0.247 0.198 2.165 1.0O 23 0.0 0.377 0.183 2.165 1.0O 24 0.1387 0.247 0.114 2.165 1.0O 25 0.1254 0.189 0.24 2.165 1.0O 26 0.127 0.378 0.111 2.165 1.0O 27 0.002 0.0 0.161 2.165 1.0O 28 0.001 0.118 0.214 2.165 1.0O 29 0.1234 0.413 0.639 2.165 1.0O 30 0.047 0.409 0.709 2.165 1.0O 31 0.13 0.379 0.767 2.165 1.0O 32 0.114 0.5 0.74 2.165 1.0O 33 0.129 0.411 0.247 2.165 1.0O 34 0.145 0.5 0.149 2.165 1.0O 35 0.2073 0.407 0.181 2.165 1.0O 36 0.248 0.4 0.3028 2.165 1.0O 37 0.1725 0.2975 0.44 2.165 1.0O 38 0.2152 0.409 0.424 2.165 1.0O 39 0.1453 0.403 0.5104 2.165 1.0O 40 0.1238 0.397 0.383 2.165 1.0O 41 0.0457 0.407 0.301 2.165 1.0O 42 0.1027 0.3006 0.296 2.165 1.0O 43 0.1945 0.121 0.593 2.165 1.0O 44 0.225 0.0 0.615 2.165 1.0O 45 -0.001 0.5 0.224 2.165 1.0O 46 0.0456 0.197 0.301 2.165 1.0O 47 0.208 0.379 0.611 2.165 1.0O 48 0.2852 0.318 0.581 2.165 1.0O 49 0.2039 0.252 0.584 2.165 1.0O 50 0.1447 0.191 0.5028 2.165 1.0O 51 0.1255 0.199 0.376 2.165 1.0O 52 0.182 0.5 0.585 2.165 1.0

UEI Hydroxygallophosphate Mu-18

REFINED COMPOSITION: |C19.2H72N12.8O8(H2O)1.334| [Ga24P24O96]

CRYSTAL DATA: Aba2 (No. 41)a = 18.035 A b = 10.513 A c = 14.293 Aα = 90◦ β = 90◦ γ = 90◦


REFERENCE: L. Josien, A. Simon, V. Gramlich and J. Patarin,Chem. Mater. 13 1305–1311 (2001).

Atom x y z Biso occ

Ga 1 0.70282 0.80786 0.64851 0.95 1.0Ga 2 0.68499 0.62454 0.37474 1.18 1.0Ga 3 0.60925 0.85355 0.05748 0.95 1.0P 1 0.57514 0.64236 0.54444 1.26 1.0P 2 0.70419 0.83949 0.87474 1.11 1.0P 3 0.66926 0.61338 0.15978 1.03 1.0O 1 0.74962 0.6424 0.13597 1.03 1.0O 2 0.65248 0.66205 0.25793 1.58 1.0O 3 0.7915 0.88807 0.61059 1.26 1.0H 33 0.78606 0.97821 0.61887 1.26 1.0O 4 0.63279 0.83916 0.93003 1.58 1.0O 5 0.60256 0.6193 0.4447 1.82 1.0O 6 0.61826 0.75134 0.58835 1.5 1.0O 7 0.61559 0.68544 0.09467 1.18 1.0O 8 0.76135 0.75623 0.92391 1.82 1.0O 9 0.68842 0.78619 0.77816 1.82 1.0O 10 0.73611 0.97433 0.87155 1.42 1.0O 11 0.58587 1.01857 0.09911 1.18 1.0O 12 0.50566 0.81867 0.03789 1.42 1.0O 13 0.65559 0.97192 0.6511 1.42 1.0H2O 0.49736 0.27871 0.77398 4.5 0.1667C 1 0.51843 0.73078 0.78121 13.66 0.8H 1 0.47149 0.77245 0.77325 13.66 0.8H 2 0.55402 0.79047 0.80503 13.66 0.8H 3 0.53514 0.69856 0.72201 13.66 0.8N 1 0.50814 0.62981 0.8495 13.66 0.8H 4 0.50724 0.67647 0.90228 13.66 0.8C 2 0.43781 0.58072 0.86038 13.66 0.8H 5 0.40877 0.60368 0.80668 13.66 0.8H 6 0.41455 0.61971 0.91356 13.66 0.8C 3 0.42869 0.44292 0.88305 13.66 0.8H 7 0.42436 0.40272 0.82299 13.66 0.8H 8 0.38478 0.42422 0.91843 13.66 0.8N 2 0.49393 0.38564 0.91674 13.66 0.8H 9 0.48984 0.30115 0.92547 13.66 0.8H 10 0.49842 0.42331 0.973 13.66 0.8

Ga1 and Ga3 are 5-fold coordinated via a bridging OH group formed by (O3, H33).

UFIUZM-5

REFINED COMPOSITION: |K5.204| [Si56Al8O128]



REFERENCE: C. S. Blackwell, R. W. Broach, M. G. Gatter, J. S. Holmgren, D.-Y. Jan,G. J. Lewis, B. J.Mezza, T. M. Mezza, M. A. Miller, J. G.Moscoso,R. L. Patton, L. M. Rohde, M. W. Schoonover, W. Sinkler, B. A. Wilson,and S. T. Wilson, Angew. Chem., Int. Ed. 42 1737–1740 (2003).

Atom x y z Biso occ

Si 1 0.1796 0.0 0.05520 3.00 0.875Si 2 0.3781 0.2005 0.20058 3.00 0.875Si 3 0.3747 0.0 0.1341 3.00 0.875Al 1 0.1796 0.0 0.05520 3.00 0.125Al 2 0.3781 0.2005 0.20058 3.00 0.125Al 3 0.3747 0.0 0.1341 3.00 0.125O 1 0.2965 0.0 0.0876 3.79 1.0O 2 0.2095 0.0 0.0 3.79 1.0O 3 0.1060 0.1060 0.0665 3.79 1.0O 4 0.3525 0.1475 0.25 3.79 1.0O 5 0.3576 0.1116 0.1606 3.79 1.0O 6 0.5 0.2561 0.2040 3.79 1.0O 7 0.3153 0.3153 0.1911 3.79 1.0O 8 0.5 0.0 0.1122 3.79 1.0K 1 0.5 0.5 0.1937 3.16 0.758K 2 0.5 0.0 0.0 3.16 0.543

UOZ IM-10

REFINED COMPOSITION: |(C12N2H30; F2)2| [Ge40O80]



REFERENCE: Y. Mathieu, J.-L. Paillaud, P. Caullet, N. Bats,Microporous and Mesoporous Materials 75 13–22 (2004).

Atom x y z Biso occ

Ge 1 0.0576 0.2660 0.5702 0.88 1.0Ge 2 0.2385 0.5637 0.6814 0.88 1.0Ge 3 0.2380 0.5605 0.5702 0.88 1.0Ge 4 0.5000 0.5000 0.7495 0.88 1.0Ge 5 0.0637 0.2611 0.6814 0.88 1.0Ge 6 0.0000 0.0000 0.5000 0.88 1.0Ge 7 0.5000 0.5000 0.5000 0.88 1.0O 1 0.1973 0.3856 0.5549 0.99 1.0O 2 0.1035 0.1181 0.5359 0.99 1.0O 3 0.2878 0.6342 0.6241 0.99 0.489O 4 0.3195 0.5245 0.6261 0.99 0.511O 5 0.0934 0.6448 0.5401 0.99 0.525O 6 0.1337 0.7263 0.5682 0.99 0.475O 7 0.1596 0.4042 0.7068 0.99 0.588O 8 0.2384 0.3668 0.6820 0.99 0.412O 9 0.3974 0.6070 0.7153 0.99 1.0O 10 0.3891 0.3806 0.7837 0.99 1.0O 11 0.0826 0.1972 0.6263 0.99 1.0O 12 0.3873 0.6084 0.5352 0.99 1.0O 13 -0.1164 0.3042 0.6934 0.99 1.0F 0.0000 0.5000 0.6213 3.40 1.0N 1 0.5000 0.0000 0.8950 2.53 0.5C 1 0.458 0.086 0.854 2.53 0.25C 2 0.467 -0.006 0.810 2.53 0.25C 3 0.464 0.076 0.765 2.53 0.25C 4 0.521 0.002 0.722 2.53 0.25C 5 0.464 0.075 0.677 2.53 0.25C 6 0.574 0.005 0.640 2.53 0.25N 2 0.500 0.000 0.594 2.53 0.5C 7 0.478 0.158 0.578 2.53 0.25C 8 0.344 -0.072 0.590 2.53 0.25C 9 0.581 -0.081 0.559 2.53 0.25C 10 0.510 0.087 0.938 2.53 0.25C 11 0.672 -0.055 0.891 2.53 0.25C 12 0.424 -0.148 0.900 2.53 0.25H 1 0.362 0.112 0.860 4.34 0.25H 2 0.525 0.167 0.855 4.34 0.25H 3 0.561 -0.056 0.807 4.34 0.25H 4 0.394 -0.072 0.806 4.34 0.25H 5 0.377 0.108 0.758 4.34 0.25

continued . . .

UOZIM-10


Atom x y z Biso occ

H 6 0.533 0.146 0.769 4.34 0.25H 7 0.619 0.019 0.724 4.34 0.25H 8 0.499 -0.096 0.724 4.34 0.25H 9 0.370 0.040 0.676 4.34 0.25H 10 0.470 0.173 0.684 4.34 0.25H 11 0.660 0.060 0.637 4.34 0.25H 12 0.597 -0.095 0.647 4.34 0.25H 13 0.422 0.146 0.553 4.34 0.25H 14 0.435 0.200 0.610 4.34 0.25H 15 0.572 0.187 0.573 4.34 0.25H 16 0.283 -0.010 0.611 4.34 0.25H 17 0.330 -0.078 0.560 4.34 0.25H 18 0.363 -0.156 0.609 4.34 0.25H 19 0.566 -0.025 0.532 4.34 0.25H 20 0.677 -0.082 0.574 4.34 0.25H 21 0.534 -0.168 0.559 4.34 0.25H 22 0.469 0.178 0.929 4.34 0.25H 23 0.463 0.036 0.963 4.34 0.25H 24 0.606 0.095 0.943 4.34 0.25H 25 0.717 0.015 0.876 4.34 0.25H 26 0.707 -0.081 0.916 4.34 0.25H 27 0.660 -0.126 0.869 4.34 0.25H 28 0.402 -0.159 0.929 4.34 0.25H 29 0.350 -0.128 0.878 4.34 0.25H 30 0.486 -0.215 0.884 4.34 0.25

USI IM-6

REFINED COMPOSITION: |C10N4(H2O)| [Co4Ga6(PO4)10]



REFERENCE: L. Josien, A. Simon-Masseron, V. Gramlich, J. Patarin and L. Rouleau,Chemistry: A European Journal 9 856–861 (2003).

Atom x y z Biso occ

Ga 1 0.2002 0.88246 0.51811 1.89 0.6Ga 2 -0.0973 0.59856 0.83766 1.84 0.6Ga 3 -0.3669 0.8381 0.4940 2.84 0.6Ga 4 -0.6079 0.6602 0.9031 2.18 0.6Ga 5 -0.5309 0.4647 0.6902 0.96 0.6Co 1 0.2002 0.88246 0.51811 1.89 0.4Co 2 -0.0973 0.59856 0.83766 1.84 0.4Co 3 -0.3669 0.8381 0.4940 2.84 0.4Co 4 -0.6079 0.6602 0.9031 2.18 0.4Co 5 -0.5325 0.4636 0.6897 4.97 0.4P 1 -0.1157 0.8306 0.5996 2.14 1.0P 2 -0.6384 0.8967 0.6851 2.56 1.0P 3 -0.3387 0.4913 0.8294 2.31 1.0P 4 -0.5482 0.6979 0.4512 2.09 1.0P 5 -0.7898 0.4894 0.8831 1.97 1.0O 1 0.3449 0.8111 0.4332 3.71 1.0O 2 0.2367 0.8668 0.6602 4.42 1.0O 3 0.1828 1.0447 0.4144 5.05 1.0O 4 0.0392 0.8217 0.5362 4.50 1.0O 5 -0.1569 0.5992 0.9893 3.32 1.0O 6 0.0909 0.5331 0.8110 3.40 1.0O 7 -0.1271 0.7579 0.7355 3.79 1.0O 8 -0.1814 0.5035 0.8006 2.84 1.0O 9 -0.1928 0.7768 0.5474 3.55 1.0O 10 -0.3419 0.9707 0.3448 4.26 1.0O 11 -0.5024 0.8579 0.6154 6.40 1.0O 12 -0.4091 0.7194 0.4621 4.03 1.0O 13 -0.6346 0.8278 0.8210 3.08 1.0O 14 -0.7436 0.5947 0.8841 3.79 1.0O 15 -0.4216 0.5938 0.8630 4.18 1.0O 16 -0.6344 0.6300 1.0660 3.40 1.0O 17 -0.4692 0.3307 0.6577 5.84 1.0O 18 -0.6684 0.4180 0.8276 2.92 1.0O 19 -0.6060 0.5942 0.5629 3.08 1.0O 20 -0.3737 0.4928 0.7188 4.18 1.0C 1 -0.3130 0.8888 0.8869 22.19 0.5C 2 -0.0727 0.4004 0.5392 12.24 1.0C 3 -0.1214 0.5224 0.4469 11.29 1.0C 4 0.0420 0.2921 0.7117 12.95 0.5C 5 -0.4399 1.0838 0.9530 25.98 0.5

continued . . .

USIIM-6


Atom x y z Biso occ

C 6 -0.2860 1.0685 0.8965 29.37 0.5C 7 -0.0802 0.9172 0.8914 17.69 0.5C 8 -0.4663 0.9000 0.9468 24.95 0.5N 1 -0.0045 0.4158 0.6219 16.90 1.0N 2 -0.5191 1.0331 0.9038 27.87 0.5N 3 -0.2357 0.9348 0.9419 27.24 0.5H2O -0.3851 0.9319 1.0064 41.06 0.5

UTL IM-12

REFINED COMPOSITION: [Ge12.18Si63.82O152]

CRYSTAL DATA: C 2/m (No. 12; unique axis b, cell choice 1)a = 29.8004 A b = 13.99259 A c = 12.39256 Aα = 90.0◦ β = 105.1846◦ γ = 90.0◦


REFERENCE: J-L. Paillaud, B. Harbuzaru, J. Patarin and N. Bats,Science 304 990–992 (2004).

Atom x y z Biso occ

Ge 1 0.4474 0.6144 0.8253 2.37 0.770Ge 2 0.4408 0.6125 0.0867 1.74 0.753Si 1 0.4474 0.6144 0.8253 2.37 0.230Si 2 0.4408 0.6125 0.0867 1.74 0.247Si 1 0.2676 0.0 0.7912 3.08 1.0Si 2 0.2291 0.5 0.8244 3.08 1.0Si 3 0.3052 0.5 0.6799 3.08 1.0Si 4 0.2284 0.5 0.4591 3.08 1.0Si 5 0.2951 0.7974 0.2393 3.08 1.0Si 6 0.2972 0.7965 0.4923 3.08 1.0Si 7 0.3044 0.7988 0.8584 3.08 1.0Si 8 0.3468 0.6978 1.0903 3.08 1.0Si 9 0.3561 0.6997 0.6986 3.08 1.0Si 10 0.2955 0.5 1.0606 3.08 1.0O 1 0.3011 0.9045 1.2108 4.74 1.0O 2 0.3369 0.5951 0.7090 4.74 1.0O 3 0.2385 0.5 0.3398 4.74 1.0O 4 0.2482 0.5 0.9600 4.74 1.0O 5 0.4285 0.6159 0.9437 4.74 1.0O 6 0.3307 0.7319 1.1994 4.74 1.0O 7 0.3290 0.7749 0.9903 4.74 1.0O 8 0.4373 0.5 1.1386 4.74 1.0O 9 0.5036 0.6488 0.8339 4.74 0.5O 9 0.5032 0.6675 0.8647 4.74 0.5O 10 0.4466 0.5 0.7706 4.74 1.0O 11 0.4027 0.6876 1.1289 4.74 1.0O 12 0.2821 0.5 1.1811 4.74 1.0O 13 0.4127 0.6952 0.7273 4.74 1.0O 14 0.2970 0.9096 0.8436 4.74 1.0O 15 0.25 0.75 0.5 4.74 1.0O 16 0.3254 0.5943 1.0516 4.74 1.0O 17 0.3368 0.7686 0.7804 4.74 1.0O 18 0.2694 0.5 0.7591 4.74 1.0O 19 0.3001 0.9060 0.5276 4.74 1.0O 20 0.2786 0.5 0.5463 4.74 1.0O 21 0.3055 0.7840 0.3718 4.74 1.0O 22 0.3361 0.7339 0.5701 4.74 1.0O 23 0.2558 0.7398 0.8219 4.74 1.0

The bridging oxygen O9 is split on two position 09 and O9′.This could be explained by the partial substitution of Ge by Si atoms.

VETVPI-8




REFERENCE: C. C. Freyhardt, R. F. Lobo, S. Khodabandeh, J. E. Lewis, Jr.,M. Tsapatsis, M. Yoshikawa, M. A. Camblor, M. Pan, M. M. Helmkamp,S. I. Zones and M. E. Davis, J. Am. Chem. Soc. 118 7299–7310 (1996).

Atom x y z Biso occ

Si 1 0.0000 0.0000 0.5000 1.03 1.0Si 2 0.1991 0.0485 0.7568 1.03 1.0Si 3 0.8341 0.2830 0.7444 1.03 1.0Si 4 0.6512 0.1468 0.7630 1.03 1.0Si 5 0.5182 0.12278 0.2656 1.03 1.0O 34 0.7159 0.2492 0.7089 1.97 1.0O 32 0.8867 0.2442 0.0133 1.97 1.0O 35 0.8253 0.4062 0.748 1.97 1.0O 24 0.7243 0.0464 0.7842 1.97 1.0O 55 0.5000 0.0000 0.243 1.97 1.0O 12 0.0746 0.0195 0.7489 1.97 1.0O 54 0.5575 0.1441 0.5614 1.97 1.0O 45 0.5998 0.1581 0.0521 1.97 1.0O 23 0.9048 0.2340 0.5175 1.97 1.0

VFI VPI-5




REFERENCE: L. B. McCusker, Ch. Baerlocher, E. Jahn and M. Bulow,Zeolites 11 308–313 (1991).

Atom x y z Biso occ

Al 1 0.385 -0.001 0.239 0.24 1.0Al 2 0.474 -0.173 0.204 0.24 1.0Al 3 0.654 0.169 0.198 0.24 1.0P 1 0.550 -0.001 0.358 0.79 1.0P 2 0.311 -0.185 0.320 0.79 1.0P 3 0.507 0.185 0.309 0.79 1.0O 1 0.470 0.001 0.339 1.5 1.0O 2 0.431 0.009 0.037 1.5 1.0O 3 0.322 -0.112 0.223 1.5 1.0O 4 0.430 0.111 0.255 1.5 1.0O 5 0.540 -0.074 0.264 1.5 1.0O 6 0.619 0.072 0.278 1.5 1.0O 7 0.512 -0.231 0.280 1.5 1.0O 8 0.378 -0.206 0.280 1.5 1.0O 9 0.474 -0.175 -0.015 1.5 1.0O 10 0.311 -0.168 0.500 1.5 1.0O 11 0.575 0.195 0.198 1.5 1.0O 12 0.739 0.236 0.315 1.5 1.0H2O 1 0.339 0.005 0.465 2.13 1.0H2O 2 0.290 0.002 0.160 2.13 1.0H2O 3 0.314 0.130 -0.028 7.11 1.0H2O 4 0.248 0.055 -0.288 10.03 1.0H2O 5 0.193 0.045 -0.566 10.03 1.0H2O 6 0.319 0.189 -0.539 7.11 1.0H2O 7 0.100 0.053 0.165 10.03 1.0

An error in the published z-coordinate for H2O(7) has been corrected.

VNIVPI-9

REFINED COMPOSITION: |Rb44K4(H2O)14| [Si96Zn24O240]



REFERENCE: L. B. McCusker, R. W. Grosse-Kunstleve, Ch. Baerlocher, M. Yoshikawa,and M. E. Davis, Microporous and Mesoporous Materials 6 295–309 (1996).

Atom x y z Biso occ

Si 1 -0.05560 0.14097 0.04647 0.32 1.0Si 2 0.12355 0.36647 0.03339 0.32 1.0Si 3 0.34788 0.54161 0.04577 0.32 1.0Si 4 0.64551 0.45059 0.04531 0.32 1.0Si 5 0.70956 0.22908 0.01951 0.32 1.0Si 6 0.91831 0.59382 0.03688 0.32 1.0Zn 7 0.76905 0.26960 0.07855 0.79 1.0Si 8 0.85239 0.37616 0.11695 0.32 1.0Si 9 0.63992 0.15641 0.11374 0.32 1.0Si 10 0.35908 0.14462 0.13017 0.32 1.0Si 11 0.13640 0.35246 0.13429 0.32 1.0Zn 12 0.27595 0.23519 0.16979 0.79 1.0Si 13 0.43977 0.36294 0.20263 0.32 1.0Si 14 0.21756 0.29059 0.22953 0.32 1.0Zn 15 -0.00008 0.50334 0.24691 0.79 1.0O 1 0.08204 0.21588 0.03997 1.97 1.0O 2 -0.08423 0.17140 0.06759 1.97 1.0O 3 -0.04109 -0.01758 0.04349 1.97 1.0O 4 -0.17747 0.18145 0.03360 1.97 1.0O 5 0.27867 0.39943 0.04014 1.97 1.0O 6 0.02165 0.47477 0.04195 1.97 1.0O 7 0.11120 0.37695 0.01106 1.97 1.0O 8 0.50734 0.53146 0.04608 1.97 1.0O 9 0.65363 0.37488 0.02615 1.97 1.0O 10 0.77309 0.55290 0.04576 1.97 1.0O 11 0.76847 0.24075 -0.00018 1.97 1.0O 12 0.59335 0.11791 0.01974 1.97 1.0O 13 0.91157 0.61905 0.01426 1.97 1.0O 14 0.96658 0.72981 0.04654 1.97 1.0O 15 0.64151 0.34871 0.06225 1.97 1.0O 16 0.85799 0.39098 0.09506 1.97 1.0O 17 0.66199 0.14092 0.09257 1.97 1.0O 18 0.73381 0.27261 0.12267 1.97 1.0O 19 0.68028 0.02001 0.12391 1.97 1.0O 20 0.48533 0.19440 0.11787 1.97 1.0O 21 0.23709 0.24422 0.12539 1.97 1.0O 22 0.38915 0.14632 0.15157 1.97 1.0O 23 0.31402 -0.00248 0.12264 1.97 1.0O 24 0.13419 0.33967 0.15616 1.97 1.0O 25 -0.00850 0.32063 0.12528 1.97 1.0

continued . . .

VNI VPI-9


Atom x y z Biso occ

O 26 0.36760 0.38136 0.18320 1.97 1.0O 27 0.20338 0.09310 0.18492 1.97 1.0O 28 0.33256 0.36743 0.21848 1.97 1.0O 29 0.18986 0.14876 0.21931 1.97 1.0O 30 0.08186 0.37815 0.23040 1.97 1.0Rb 1 0.00301 0.00830 0.11980 2.92 0.875Rb 2 0.16907 0.36207 0.08261 2.92 0.875Rb 3 0.41652 0.41652 0.00000 2.92 0.75O 31 0.41652 0.41652 0.00000 2.92 0.25Rb 4 0.07877 0.07877 0.00000 2.92 1.0Rb 5 0.64934 0.84320 0.03976 2.92 0.875Rb 6 0.40656 0.13336 0.04950 2.92 0.75K 6 0.32838 0.13511 0.03545 2.92 0.25Rb 7 0.83939 0.69102 0.08693 2.92 0.75K 7 0.86257 0.61323 0.07771 2.92 0.25Rb 8 0.62218 0.62218 0.00000 2.92 0.25O 32 0.62218 0.62218 0.00000 2.92 0.75Rb 9 0.53776 0.56878 0.08892 2.92 0.375O 33 0.56914 0.90441 0.07753 2.92 1.25

VSVVPI-7

REFINED COMPOSITION: |Na28.48(H2O)49.76| [Si56Zn16O144]



REFERENCE: C. Rohrig, H. Gies and B. Marler,Zeolites 14 498–503 (1994).

Atom x y z Biso occ

Na 1 0.1269 0.201 0.059 1.58 0.89Na 2 0.2549 0.069 0.762 1.58 0.89Si 1 0.0 0.0 0.0 1.86 1.0Si 2 0.0718 0.4537 0.565 1.86 1.0Si 3 0.0868 0.1622 0.571 1.86 1.0Si 4 0.0904 0.4481 0.855 1.86 1.0Zn 0.05488 0.1640 0.856 1.86 1.0O 1 0.0087 0.1255 0.910 0.87 1.0O 2 0.0319 0.464 0.589 0.87 1.0O 3 0.0850 0.054 0.955 0.87 1.0O 4 0.0809 0.3082 0.519 0.87 1.0O 5 0.0572 0.120 0.670 0.87 1.0O 6 0.0610 0.3481 0.887 0.87 1.0O 7 0.0902 0.488 0.702 0.87 1.0O 8 0.1228 0.142 0.641 0.87 1.0O 9 0.0836 0.081 0.435 0.87 1.0H2O 1 0.0889 0.299 0.213 5.53 1.23H2O 2 0.25 0.75 0.124 5.53 1.3H2O 3 0.2237 0.627 0.436 5.53 1.23

WEI Weinebeneite

REFINED COMPOSITION: |Ca4(H2O)16| [Be12P8O32(OH)8]Weinebene Pass, Koralpe, Austria



REFERENCE: F. Walter,Eur. J. Mineral. 4 1275–1283 (1992).

Atom x y z Biso occ

Ca 0.1124 0.0853 0.3718 1.32 1.0Be 1 -0.3006 0.8817 0.1613 0.65 1.0Be 2 -0.1925 0.3821 0.3460 0.78 1.0Be 3 0.0014 0.5184 0.2517 0.66 1.0P 1 0.2785 0.0985 0.1409 0.54 1.0P 2 -0.2780 0.0992 0.3606 0.71 1.0O 1 -0.0939 0.6163 0.1650 0.87 1.0O 2 0.2150 0.7795 0.6971 0.97 1.0O 3 0.2388 0.9725 0.2213 0.71 1.0O 4 0.2431 0.9230 0.4847 0.89 1.0O 5 0.2853 0.7213 0.3029 1.02 1.0O 6 0.2573 0.5836 0.5177 0.91 1.0O 7 0.0943 0.6210 0.3323 1.25 1.0O 8 0.2597 0.4676 0.2905 0.99 1.0OH 9 0.0638 0.4212 0.1442 1.08 1.0OH 10 -0.0622 0.4263 0.3603 1.04 1.0H2O 1 -0.5254 0.6453 0.1881 1.85 1.0H2O 2 0.4918 0.3807 0.3780 2.20 1.0H2O 3 0.4905 0.3629 0.0437 2.09 1.0H2O 41 0.2250 0.7474 0.0035 2.19 0.55H2O 42 0.1950 0.7323 0.0061 1.74 0.45

-WENWenkite

REFINED COMPOSITION: |Na0.5K0.5Ca5.5Ba3.5S3(OH)12| [Si11Al9O41(OH)2]Candoglia, Italy

CRYSTAL DATA: P62m (No. 189)a = 13.511 A b = 13.511 A c = 7.462 Aα = 90◦ β = 90◦ γ = 120◦


REFERENCE: S. Merlino,Acta Cryst. B30 1262–1266 (1974).

Atom x y z Biso occ

Na 0.4988 0.2743 0.0 2.42 0.083K 1 0.0 0.0 0.5 2.04 0.125K 2 0.3932 0.0 0.5 1.78 0.125Ca 0.4988 0.2743 0.0 2.42 0.917Ba 1 0.0 0.0 0.5 2.04 0.875Ba 2 0.3932 0.0 0.5 1.78 0.875S 0.5200 0.5200 0.0 1.3 1.0Si 1 0.2666 0.1336 0.2178 0.8 0.60Si 2 0.4380 0.3008 0.5 0.4 0.56Si 3 0.66667 0.33333 0.3970 0.4 0.11Al 1 0.2666 0.1336 0.2178 0.8 0.40Al 2 0.4380 0.3008 0.5 0.4 0.44Al 3 0.66667 0.33333 0.3970 0.4 0.39O 1 0.296 0.145 0.0 0.2 1.0O 2 0.392 0.215 0.317 1.4 1.0O 3 0.216 0.0 0.294 0.8 1.0O 4 0.170 0.170 0.275 1.0 1.0O 5 0.399 0.399 0.5 2.2 1.0O 6 0.580 0.378 0.5 1.3 1.0O 7 0.66667 0.33333 0.170 3.0 0.5OH 7 0.66667 0.33333 0.170 3.0 0.5OH 8 0.421 0.402 -0.049 0.9 0.25OH 9 0.492 0.606 0.074 2.6 0.25OH 10 0.599 0.553 -0.158 1.6 0.25OH 11 0.591 0.499 0.154 2.9 0.25

Si3, Al3, and the attached O7, are disordered over two positions,with the individual site occupancies being only 0.5. O7 is an OH−

when the T3 site is vacant, and an oxygen when T3 is occupied.

YUG Yugawaralite

REFINED COMPOSITION: |Ca2H15.82O8.136| [Si12Al4O32]Hvalfjordur, Iceland

CRYSTAL DATA: P1c1 (No. 7; unique axis b, cell choice 1)a = 6.700 A b = 13.972 A c = 10.039 Aα = 90◦ β = 111.07◦ γ = 90◦

Neutron single crystal refinement at T = 13K, Rw = 0.045

REFERENCE: A. Kvick, G. Artioli and J. V. Smith,Z. Kristallogr. 174 265–281 (1986).

Atom x y z Biso occ

Ca 0.05134 0.21654 0.42364 0.44 1.0Si 1 0.34121 0.14798 0.98083 0.25 1.0Si 2 0.71051 0.03650 0.19124 0.26 1.0Si 3 0.40911 0.12450 0.69431 0.22 1.0Si 4 0.02736 0.47598 0.43748 0.22 1.0Si 5 0.36039 0.37327 0.96046 0.24 1.0Si 6 0.74211 0.49757 0.62097 0.24 1.0Al 1 0.0 0.00710 0.0 0.21 1.0Al 2 0.39614 0.35598 0.65361 0.21 1.0O 1 0.10689 0.10638 0.94844 0.54 1.0O 2 0.85591 0.04834 0.09817 0.58 1.0O 3 0.19153 0.07642 0.59056 0.48 1.0O 4 0.50365 0.10778 0.13425 0.41 1.0O 5 0.43489 0.11736 0.86004 0.65 1.0O 6 0.61915 0.07317 0.67971 0.46 1.0O 7 0.84451 0.06416 0.35574 0.44 1.0O 8 0.33904 0.26252 -0.00394 0.64 1.0O 9 0.39913 0.23277 0.63939 0.47 1.0O 10 0.16380 0.42664 0.98834 0.47 1.0O 11 0.83032 0.48293 0.49303 0.49 1.0O 12 0.17154 0.38236 0.49904 0.42 1.0O 13 0.57911 0.41154 0.08345 0.48 1.0O 14 0.36053 0.39320 0.80583 0.54 1.0O 15 0.62998 0.40026 0.64000 0.48 1.0O 16 0.93634 0.47014 0.26478 0.40 1.0O 100 0.98759 0.24929 0.17041 0.97 0.774O 101 0.04165 0.27602 0.20621 3.79 0.182H 11 0.95821 0.19582 0.10667 3.0 0.825H 12 0.03505 0.30007 0.12817 3.55 0.883H 13 0.05913 0.34986 0.21315 4.47 0.157O 20 0.90310 0.23331 0.61844 0.89 1.0H 21 0.87936 0.18305 0.67456 3.25 1.0H 22 0.81676 0.28638 0.62799 2.36 1.0O 30 0.70811 0.29016 0.32835 0.94 0.978H 31 0.59175 0.27280 0.34773 3.00 0.482H 32 0.65286 0.33338 0.39098 3.38 0.417H 33 0.66062 0.32229 0.23748 2.31 1.001O 40 0.36920 0.15938 0.36919 1.23 0.887O 41 0.33283 0.12668 0.35814 1.35 0.128

continued . . .

YUGYugawaralite


Atom x y z Biso occ

H 41 0.39007 0.14373 0.28329 2.50 0.910H 42 0.49359 0.13517 0.44553 2.88 0.704H 43 0.45146 0.15376 0.40785 15.99 0.314H 51 0.90889 0.20607 0.91977 1.42 0.098H 52 0.87863 0.31721 0.90312 4.90 0.119O 50 0.81646 0.25961 0.92491 1.42 0.119

ZON Tetramethylammonium ZAPO-M1

REFINED COMPOSITION: |N8C42.656| [Al25Zn7P32O128]



REFERENCE: B. Marler, J. Patarin and L. Sierra,Microporous and Mesoporous Materials 5 151–159 (1995).

Atom x y z Biso occ

Al 1 0.0532 0.7242 0.3410 1.56 0.639Al 2 0.5553 0.9022 0.4377 1.56 0.794Al 3 0.4234 0.6045 0.4306 1.56 0.814Al 4 0.2111 0.8403 0.5378 1.56 0.877Zn 1 0.0532 0.7242 0.3410 1.69 0.361Zn 2 0.5553 0.9022 0.4377 1.69 0.206Zn 3 0.4234 0.6045 0.4306 1.69 0.186Zn 4 0.2111 0.8403 0.5378 1.69 0.123P 1 0.4499 0.4048 0.4262 2.25 1.0P 2 0.5849 0.1002 0.4250 2.25 1.0P 3 0.5607 0.7292 0.3412 2.25 1.0P 4 0.2147 0.6608 0.4506 2.25 1.0O 1 0.0432 0.0001 0.3975 3.46 1.0O 2 -0.5552 -0.0084 0.6006 3.46 1.0O 3 0.0523 -0.1605 0.3570 3.46 1.0O 4 -0.0558 0.3285 0.3629 3.46 1.0O 5 -0.0494 -0.3296 0.3703 3.46 1.0O 6 0.0279 0.1831 0.3709 3.46 1.0O 7 0.1970 0.1063 0.4270 3.46 1.0O 8 -0.3063 0.1053 0.4351 3.46 1.0O 9 -0.4573 0.1168 0.5049 3.46 1.0O 10 0.0359 0.1174 0.5247 3.46 1.0O 11 0.3383 0.1058 0.5102 3.46 1.0O 12 -0.0722 0.2158 0.2574 3.46 1.0O 13 0.3486 0.1715 0.3817 3.46 1.0O 14 0.2528 0.2463 0.4864 3.46 1.0O 15 0.1399 -0.1002 0.4770 3.46 1.0O 16 -0.1496 0.1936 0.3819 3.46 1.0N 0.3047 0.9264 0.2574 4.41 1.0C 1 0.2179 0.9808 0.2397 12.44 1.333C 2 0.3954 0.9835 0.2517 12.44 1.333C 3 0.3024 0.8446 0.2023 12.44 1.333C 4 0.3006 0.8984 0.3392 12.44 1.333

ZONUiO-7, aluminophosphate

REFINED COMPOSITION: |(C4NF)8| [Al32P32O128]



REFERENCE: D. E. Akporiaye, H. Fjellvag, E. N. Halvorsen, J. Hustveit, A. Karlssonand K. P. Lillerud, J. Phys. Chem. 10 16641–16646 (1996).

Atom x y z

Al 1 0.062 0.118 0.554Al 2 0.442 0.782 0.864Al 3 0.428 0.096 0.421Al 4 0.217 0.339 0.545P 1 0.442 0.595 0.928P 2 0.065 0.273 0.668P 3 0.085 0.578 0.076P 4 0.272 0.838 0.948O 1 0.442 0.509 0.881O 2 0.523 0.596 0.980O 3 0.356 0.600 0.978O 4 0.459 0.665 0.865O 5 0.152 0.310 0.629O 6 0.072 0.282 0.756O 7 -0.012 0.328 0.639O 8 0.060 0.181 0.643O 9 0.070 0.487 0.108O 10 0.044 0.586 -0.005O 11 0.039 0.643 0.132O 12 0.186 0.602 0.068O 13 0.324 0.816 0.874O 14 0.325 0.894 0.007O 15 0.245 0.751 -0.013O 16 0.191 0.887 0.923F 0.553 0.281 0.512N 0.321 0.432 0.258C 1 0.408 0.471 0.265C 2 0.313 0.347 0.289C 3 0.233 0.468 0.256C 4 0.313 0.396 0.181

Temperature factors and occupancies were not reported.

ZON Gallophosphate DAB-2

REFINED COMPOSITION: |(C6H14N2+2 )8F

−16| [Ga32P32O128]



REFERENCE: A. Meden, R. W. Grosse-Kunstleve, C. Baerlocher and L. B. McCusker,Z. Kristallogr. 212 801–807 (1997).

Atom x y z Biso occ

Ga 1 0.4627 0.2301 0.3636 2.3 1.0Ga 2 0.2788 0.3351 0.5527 2.3 1.0Ga 3 0.5682 0.4014 0.5734 2.3 1.0Ga 4 0.4469 0.1255 0.5477 2.3 1.0P 1 0.432 0.4097 0.4358 0.2 1.0P 2 0.583 0.0683 0.419 0.2 1.0P 3 0.2755 0.175 0.448 0.2 1.0P 4 0.437 0.2743 0.6674 0.2 1.0O 1 0.418 0.341 0.376 1.1 1.0O 2 0.520 0.116 0.366 1.1 1.0O 3 0.338 0.194 0.379 1.1 1.0O 4 0.527 0.398 0.472 1.1 1.0O 5 0.360 0.407 0.502 1.1 1.0O 6 0.553 0.074 0.503 1.1 1.0O 7 0.477 0.192 0.639 1.1 1.0O 8 0.323 0.125 0.512 1.1 1.0O 9 0.238 0.256 0.485 1.1 1.0O 10 0.501 0.342 0.643 1.1 1.0O 11 0.339 0.293 0.636 1.1 1.0O 12 0.682 0.099 0.412 1.1 1.0O 13 0.432 0.226 0.2547 1.1 1.0O 14 0.431 0.4915 0.396 1.1 1.0O 15 0.194 0.125 0.421 1.1 1.0O 16 0.579 0.980 0.396 1.1 1.0F 1 0.466 0.233 0.482 1.7 1.0F 2 0.590 0.270 0.355 1.7 1.0N 1 0.695 0.386 0.294 6.0 1.0N 2 0.692 0.493 0.185 6.0 1.0C 1 0.690 0.342 0.218 6.0 1.0C 2 0.612 0.441 0.303 6.0 1.0C 3 0.782 0.437 0.297 6.0 1.0C 4 0.693 0.408 0.151 6.0 1.0C 5 0.607 0.503 0.234 6.0 1.0C 6 0.778 0.506 0.233 6.0 1.0H 1 0.697 0.342 0.339 6.0 1.0H 2 0.691 0.537 0.140 6.0 1.0H 3 0.623 0.306 0.215 6.0 1.0H 4 0.751 0.299 0.212 6.0 1.0H 5 0.618 0.477 0.359 6.0 1.0H 6 0.547 0.402 0.304 6.0 1.0

continued . . .

ZONGallophosphate DAB-2


Atom x y z Biso occ

H 7 0.788 0.468 0.355 6.0 1.0H 8 0.845 0.397 0.287 6.0 1.0H 9 0.631 0.399 0.113 6.0 1.0H 11 0.543 0.491 0.199 6.0 1.0H 12 0.604 0.569 0.257 6.0 1.0H 13 0.842 0.501 0.195 6.0 1.0H 14 0.775 0.569 0.261 6.0 1.0H 10 0.759 0.399 0.117 6.0 1.0

Alpha Cristobalite

REFINED COMPOSITION: [Si4O8]Ellora, Hyderabad, India



REFERENCE: W. A. Dollase,Z. Kristallogr. 121 369–377 (1965).

Atom x y z Biso occ

Si 0.30004 0.30004 0.0000 0.83 1.0O 0.23976 0.10324 0.17844 1.55 1.0

Keatite

REFINED COMPOSITION: [Si12O24]Synthetic material


X-ray single crystal refinement, Rhk0 = 0.129, Rhhl = 0.098

REFERENCE: J. Shropshire, P. P. Keat and P. A. Vaughan,Z. Kristallogr. 112 409–413 (1959).

Atom x y z Biso occ

Si 1 0.326 0.120 0.248 2.34 1.0Si 2 0.410 0.410 0.000 2.34 1.0O 1 0.445 0.132 0.400 2.34 1.0O 2 0.117 0.123 0.296 2.34 1.0O 3 0.344 0.297 0.143 2.34 1.0

Biso is the average of Bhk0 = 1.47 A2 and Bhhl = 3.22 A2.

Moganite

REFINED COMPOSITION: [Si12O24]Mogan formation, Gran Canaria, Canary Islands


REFERENCE: G. Miehe and H. Graetsch,Eur. J. Mineral. 4 693–706 (1992).

Atom x y z Biso occ

Si 1 0.2500 0.9908 0.0000 3.2 1.0Si 2 0.0115 0.2533 0.1678 0.5 1.0O 1 0.9686 0.0680 0.2860 1.9 1.0O 2 0.1711 0.1770 0.1050 5.0 1.0O 3 0.8657 0.2148 0.0739 0.4 1.0

Alpha Quartz

REFINED COMPOSITION: [Si3O6]Dextro-rotatory synthetic material



REFERENCE: L. Levien, C. T. Prewitt and D. J. Weidner,American Mineralogist 65 920–930 (1980).

Atom x y z Biso occ

Si 0.5303 0.0000 0.6667 0.62 1.0O 0.5865 0.7331 0.7142 1.05 1.0

Coordinates were transformed from the old setting of space group P3221to the new setting, using the transformation (1 − x, 1 − y, 5/6 − z).

Tridymite

REFINED COMPOSITION: [Si48O96]From the Steinbach meteorite, Harvard Museum, U.S.A.



REFERENCE: W. A. Dollase and W. H. Baur,American Mineralogist 61 971–978 (1976).

Atom x y z Biso occ

Si 1 0.5507 0.541 0.5642 0.9 1.0Si 2 0.7036 0.947 0.7374 1.2 1.0Si 3 0.4198 0.549 0.6225 0.7 1.0Si 4 0.5751 0.043 0.7955 1.1 1.0Si 5 0.9247 0.548 0.6971 0.8 1.0Si 6 0.7643 0.944 0.5386 0.9 1.0Si 7 0.8023 0.449 0.7661 0.8 1.0Si 8 0.6453 0.041 0.6027 0.7 1.0Si 9 0.8531 0.463 0.9016 1.0 1.0Si 10 0.9493 0.966 0.9358 1.0 1.0Si 11 0.7244 0.559 0.9605 0.9 1.0Si 12 0.5697 0.549 0.8702 1.1 1.0O 1 0.5749 0.351 0.8182 1.2 1.0O 2 0.5707 0.840 0.8476 1.5 1.0O 3 0.7315 0.138 0.4851 1.8 1.0O 4 0.7509 0.644 0.5152 1.7 1.0O 5 0.4155 0.352 0.6741 2.9 1.0O 6 0.4127 0.852 0.6434 1.9 1.0O 7 0.8773 0.164 0.9213 1.8 1.0O 8 0.9160 0.668 0.9361 2.4 1.0O 9 0.7741 0.145 0.7538 1.8 1.0O 10 0.7336 0.643 0.7402 2.2 1.0O 11 0.6195 0.341 0.5847 1.2 1.0O 12 0.5811 0.843 0.5661 1.9 1.0O 13 0.4966 0.511 0.6062 2.7 1.0O 14 0.3533 0.489 0.5665 1.0 1.0O 15 0.6498 0.005 0.6711 1.8 1.0O 16 0.6524 0.996 0.7805 2.0 1.0O 17 0.8636 0.499 0.7328 1.8 1.0O 18 0.8361 0.503 0.8333 2.6 1.0O 19 0.5052 0.993 0.7398 1.8 1.0O 20 0.6369 0.511 0.9268 2.9 1.0O 21 0.9927 0.992 0.8868 1.4 1.0O 22 0.5 0.468 0.5 2.2 1.0O 23 0.7252 0.991 0.5898 2.3 1.0O 24 0.7744 0.521 0.9155 1.5 1.0

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