appendix a - home - springer978-0-387-36687...b.d. cullity, elements of x-ray diffraction,...

41
Appendix A Further Reading D.M. Adams, Inorganic Solids, Wiley, New York, 1974. Very good older book with excellent figures. It emphasizes close packing. L.V. Azaroff, Introduction to Solids, McGraw-Hill, New York, 1960. L. Bragg, The Crystalline State, G. Bell and Sons, London, 1965. L. Bragg and G.F. Claringbull, Crystal Structures of Minerals, G. Bell, London, 1965. P.J. Brown and J.B. Forsyth. The Crystal Structure of Solids, E. Arnold, London, 1973. M.J. Buerger, Elementary Crystallography, Wiley, New York, 1956. J.K. Burdett, Chemical Bonding in Solids, Oxford University Press, Oxford, 1992. Cambridge Structural Data Base (CSD). Cambridge Crystallographic Data Centre, University Chemical Laboratory, Cambridge, England. C.R.A. Catlow, Ed., Computer Modelling in Inorganic Crystallography, Academic Press, San Diego, 1997. A.K. Cheetham and P. Day, Solid-State Chemistry, Techniques, Clarendon, Ox- ford, 1987. P.A. Cox, Transition Metal Oxides, Oxford University Press, Oxford, 1992. CrystalMaker, A powerful computer program for the Macintosh and Windows by David Palmer, CrystalMaker Software Ltd., Yarnton, Oxfordshire, UK. This program was used for many figures and it aided greatly in interpreting many structures for this book and accompanying CD. B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New York, 1974. The most comprehensive coverage of the structures of elements. B.E. Douglas, D.H. McDaniel, and J.J. Alexander, Concepts and Models of Inor- ganic Chemistry, 3rd ed., Wiley, New York, 1994. The PTOT system is discussed and applied briefly. F.S. Galasso, Structure, Properties and Preparation of Perovskite-Type Compounds, Pergamon, Oxford, 1969. F.S. Galasso, Structure and Properties of Inorganic Solids, Pergamon, Oxford, 1970. Excellent figures to help to visualize structures. C. Hammond, Introduction to Crystallography, Oxford University Press, Oxford, 1990. N.B. Hannay, Solid-State Chemistry, Prentice-Hall, Englewood Cliffs, NJ, 1967. R.M. Hazen and L.W. Finger, Comparative Crystal Chemistry, Wiley, New York, 1984.

Upload: ledan

Post on 21-May-2018

222 views

Category:

Documents


4 download

TRANSCRIPT

Page 1: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Appendix AFurther Reading

D.M. Adams, Inorganic Solids, Wiley, New York, 1974. Very good older bookwith excellent figures. It emphasizes close packing.

L.V. Azaroff, Introduction to Solids, McGraw-Hill, New York, 1960.L. Bragg, The Crystalline State, G. Bell and Sons, London, 1965.L. Bragg and G.F. Claringbull, Crystal Structures of Minerals, G. Bell, London,1965.

P.J. Brown and J.B. Forsyth. The Crystal Structure of Solids, E. Arnold, London,1973.

M.J. Buerger, Elementary Crystallography, Wiley, New York, 1956.J.K. Burdett, Chemical Bonding in Solids, Oxford University Press, Oxford, 1992.Cambridge Structural Data Base (CSD). Cambridge Crystallographic DataCentre, University Chemical Laboratory, Cambridge, England.

C.R.A. Catlow, Ed., Computer Modelling in Inorganic Crystallography, AcademicPress, San Diego, 1997.

A.K. Cheetham and P. Day, Solid-State Chemistry, Techniques, Clarendon, Ox-ford, 1987.

P.A. Cox, Transition Metal Oxides, Oxford University Press, Oxford, 1992.CrystalMaker, A powerful computer program for the Macintosh and Windowsby David Palmer, CrystalMaker Software Ltd., Yarnton, Oxfordshire, UK.This program was used for many figures and it aided greatly in interpretingmany structures for this book and accompanying CD.

B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA,1956.

J. Donohue, The Structure of The Elements, Wiley, New York, 1974. The mostcomprehensive coverage of the structures of elements.

B.E. Douglas, D.H. McDaniel, and J.J. Alexander, Concepts and Models of Inor-ganic Chemistry, 3rd ed., Wiley, New York, 1994. The PTOT system isdiscussed and applied briefly.

F.S. Galasso, Structure, Properties and Preparation of Perovskite-Type Compounds,Pergamon, Oxford, 1969.

F.S. Galasso, Structure and Properties of Inorganic Solids, Pergamon, Oxford,1970. Excellent figures to help to visualize structures.

C. Hammond, Introduction to Crystallography, Oxford University Press, Oxford,1990.

N.B. Hannay, Solid-State Chemistry, Prentice-Hall, Englewood Cliffs, NJ, 1967.R.M. Hazen and L.W. Finger, Comparative Crystal Chemistry, Wiley, New York,1984.

Page 2: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

W. Hume-Rothery, R.E. Smallman and C.W. Haworth, The Structure of Metalsand Alloys, Institute of Metals and the Institution of Metallurgists, London,1969.

B.G. Hyde, and S. Anderson, Inorganic Crystal Structures, Wiley, New York,1989.

Inorganic Crystal Structural Data Base (ICSD). Fachinformationszentrum Karls-ruhe, Germany.

International Tables for X-Ray Crystallography, Vol. 1, Symmetry Groups, N.F.M.Henry and K. Lonsdale, Eds, International Union of Crystallography, KynochPress, Birmingham, 1952. The complete source for space groups and crys-tallographic information.

W.D. Kingery, Introduction to Ceramics, Wiley, New York, 1967.H. Krebs, Fundametals of Inorganic Crystal Chemistry, McGraw-Hill, London,1968.

M.F.C. Ladd, Structure and Banding in Solid State Chemistry, Wiley, New York,1979.

F. Liebau, Structural Chemistry of Silicates, Springer-Verlag, Berlin, 1985.Y. Matsushita, Chalcogenide Crystal Structure Data library, Version 5.5B, 2004,Institute for Solid State Physics, University of Tokyo. A library of about10,000 structures including many other than chalcogenides.

H.D. Megaw, Crystal Structures, A Working Approach, Saunders, Philadelphia,1973.

Metals Crystallographic Data File (CRYSTMET). National Research Council ofCanada, Ottawa.

U. Muller, Inorganic Structural Chemistry, Wiley, New York, 1993.I. Naray-Szabo, Inorganic Crystal Chemistry, Akademiai Kiado, Budapest, 1969.R.E. Newnham, Structure–Property Relations, Springer-Verlag, New York, 1975.W.B. Pearson, The Crystal Chemistry and Physics of Metals and Alloys, Wiley,New York, 1972. An excellent book for intermetallic compounds, excellentfigures, gives occupancies and spacings for close-packed layers for manystructures.

D. Pettifor, Bonding and Structure of Molecules and Solids, Oxford UniversityPress, Oxford, 1995.

F.C. Phillips, An Introduction to Crystallography, 4th ed., Wiley, New York, 1971.A. Putnis, A., Introduction to Mineral Sciences, Cambridge University Press,Cambridge, 1992. Good background on experimental methods and excellentcoverage of metal silicates.

G.V. Raynor, The Structure of Metals and Alloys, Institute of Metals, London,1954.

R. Roy, Ed., The Major Ternary Structural Families, Springer-Verlag, New York,1974.

D.F. Shriver and P.W. Atkins, Inorganic Chemistry, 3rd. ed., Freeman, NewYork, 1999.

L. Smart and E. Moore, Solid State Chemistry, Chapman and Hall, London, 1992.A.R. Verma and P. Krishna, Polymorphism and Polytypism in Crystals, Wiley,New York, 1966.

M.T. Weller, Inorganic Materials Chemistry, Oxford University Press, Oxford,1994.

A.F. Wells, Structural Inorganic Chemistry, 5th ed., Oxford University Press,Oxford, 1984. The most complete one-volume coverage of inorganic struc-tures.

A.R. West, Basic Solid State Chemistry, 2nd ed., Wiley, New York, 1999.A. Wold and R. Dwight, Solid State Chemistry, Chapman and Hall, London1993.

Further Reading 307

Page 3: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

R.W.G. Wyckoff,. Crystal Structures, Vols. 1–6, 2nd ed., Wiley, New York, 1963–1968. The most comprehensive coverage of crystal structures with finefigures, space groups, unit cell constants and atom coordinates. Vols. 1–4,inorganic compounds and Vols. 5 and 6, organic compounds.

308 Appendix A

Page 4: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Appendix BPolyhedra in Close-Packed

Structures

Lattice Types

The Seven Systems of Crystals are shown in Figure 2.2. The relationshipbetween the trigonal and rhombohedral systems is shown in Figure B.1a.The possibilities of body-centered and base-centered cells give the 14 BravaisLattices, also shown in Figure 2.2. A face-centered cubic (fcc) cell can berepresented as a 608 rhombohedron, as shown in Figure B.1b. The fcc cell isused because it shows the high symmetry of the cube.

Polyhedra

Figure B.2 shows polyhedra commonly encountered. The five Platonic (orregular) solids are shown at the top. Beside the octahedron and cube, theoctahedron is shown inside a cube, oriented so the symmetry elements incommon coincide. These solids are conjugates: one formed by connecting theface centers of the other. The tetrahedron is its own conjugate, because con-necting the face centers gives another tetrahedron. The icosahedron and pen-tagonal dodecahedron are conjugates. The square antiprism and trigonal

Figure B.1 (a) The relationship of a hexagonal cell to trigonal (rhombohedral)cells. (b) the 608 rhombohedral cell related to a face-centered cubic cell.(CrystalMaker)

Page 5: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Figure B.2. Platonic and other solids. The numbers of vertices (v) and faces (f) are shown.

310 Appendix B

Page 6: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

dodecahedron are common for coordination compounds with CN 8. Thecuboctahedron is encountered in cubic close-packed structures. A cuboctahe-dron is formed by eight ReO6 octahedra in ReO3 (Figure 5.23b). The truncatedtetrahedron is encountered in Laves phases (MgM2, Figure 9.43). The buckyball (not shown in Figure B.2) is the structure of C60 (Figure 4.11). Figures B.3and B.4 provide cutouts for some polyhedra. Enlarged copies work well.

Figure B.3. Cutouts for an octahedron, tetrahedron, cube, and buckyball.

Models from Stacking Polyhedra 311

Page 7: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Figure B.4. Cutouts for an icosahedron, trigonal dodecahedron, and pentagonal dodecahedron.

312 Appendix B

Page 8: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Polyhedra in Cubic Close-Packed (ccp) and HexagonalClose-Packed (hcp) Structures

For a cubic close-packed (ccp) structure, each atom is surrounded by 12 atomsforming a cuboctahedron (Figure B.5). The six octahedral sites (O) form anoctahedron around the central atom and the eight tetrahedral sites (T) form acube (Figure 4.6). For a hexagonal close-packed (hcp) structure, the polyhedronis shown in Figure B.5. The square and trigonal faces above and below thecentral plane of the hexagonal plane are aligned.

Models from Stacking Polyhedra

Good models of many crystal structures can be built by stacking tetrahedra oroctahedra. Such models can be helpful in visualizing the structure. Figure B.6shows the wurtzite (ZnS, 2�2PT) structure with tetrahedra stacked along thec axis of the hexagonal cell. One of the two sets of T layers between two Players is filled (Tþ or tetrahedra pointing upward as shown here). The S atoms(dark balls) are in an AB sequence. The zinc blende (or sphalerite, ZnS, 3�2PT,structure) is shown with tetrahedra stacked along the body diagonal of thecubic cell. The S atoms are in an ABC sequence, a ccp arrangement. The A, B, orC positions of Zn are the same as those of the S atom at the upward apex ofeach tetrahedron. Another view of the cell shows the positions of the tetrahe-dra in each cubic cell. The Zn atoms form a tetrahedron within the cubic cell.Fluorite (CaF2, 3�3PTT) has Ca in P layers with both sets of T layers filled by F.In Figure B.6 the fluorite cell is shown with Ca as spheres forming the fcc celland F in tetrahedra pointed upward and downward.

Figure B.5. The polyhedra of close neighbors of an atom in ccp and hcpstructures.

(Source: CrystalMaker, by David Palmer, CrystalMaker Software Ltd., Begbroke SciencePark, Bldg. 5, Sandy Lane, Yarnton, Oxfordshire, OX51PF, UK.)

Figure B.6. Structures built from stacking tetrahedra: ZnS, wurtzite, 2�2PT;ZnS, zinc blends, 3�2PT; and CaF2, fluorite 3�dPTT.

(Source: CrystalMaker, by David Palmer, CrystalMaker Software Ltd., Begbroke SciencePark, Bldg. 5, Sandy Lane, Yarnton, Oxfordshire, OX51PF, UK.)

Models from Stacking Polyhedra 313

Page 9: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

The structure of NaCl (3�2PO) is shown in Figure B.7 as NaCl6 octahedrastacked along the body diagonal of the cubic cell. The Cl� ions are in an ABCsequence and the Naþ ions in O sites are in an ABC sequence. The NiAs(2�2PO) structure is shown also. The As atoms are in an AB sequence and Niatoms in O sites are all at C positions, aligned along the c axis of the cell.The CdCl2 structure [3�3POP(h)] shows layers of octahedra with gaps betweenthem. The P layers are filled by Cl atoms in an ABC sequence, with alternate Olayers vacant. There are no atoms between the layers of octahedra; thereis only van der Waals attraction between these Cl layers. The CdI2 structure[2�3/2POP(h)] (not shown) is similar except the octahedral layers are identical.The I atoms are in an AB sequence with Cd atoms at C positions.BiF3 (or BiLi3, 3�4PTOT) has a cubic structure with Bi atoms in P layers (ABC

positions) and F (or Li) filling O and both T layers. The structure can be builtby stacking octahedra (Figure B.8). The tetrahedra fill spaces between theoctahedra, sharing faces with the octahedra. The structure can also be builtby stacking tetrahedra, with all sites for tetrahedra pointing upward anddownward are filled. Octahedra fill spaces between tetrahedra. Either choiceis satisfactory as the stacked octahedra create the tetrahedra and stackedtetrahedra create the octahedra. In the center and top of the figure of thestacked tetrahedra, there are cavities for octahedra. The third figure showsan octahedron surrounded by tetrahedra with the P, T, andO layers identified.In CaF2, both filled T layers form octahedra between tetrahedra, but theoctahedral sites are not occupied.

The CsCl Structure Describedin a Close-Packed System

The CsCl structure corresponds to a body-centered cubic (bcc) cell, but theatom at the center is different from those at the corners. It is not truly closepacked because there is more empty space for hard spheres for bcc comparedto ccp and hcp structures under similar conditions. Metals with a bcc structureare expected to be less dense than those with ccp or hcp structures. In Section4.3.3, we see that in many cases metals with bcc structures have comparable, oreven greater, density than those with ccp or hcp structures under similarconditions. Metal atoms are not hard spheres. Figure B.9a shows eight CsClcells. This large cell can be considered as an fcc cell with the dark spheres in Psites (corners and centers of faces) and light spheres in O sites (center of thecube and centers of centers of edges). Here, the Cl� atoms fill P and O sites

Figure B.7. Structures built from stacking octahedra: NaCl 3�2PO, NiAs2�2PO, and CdCl2 3�3POP(h).

(Source: CrystalMaker, by David Palmer, CrystalMaker Software Ltd., Begbroke SciencePark, Bldg. 5, Sandy Lane, Yarnton, Oxfordshire, OX51PF, UK.)

314 Appendix B

Page 10: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

with Csþ ions in all T sites. Each T site is in a cube formed by four P sites andfour O sites; two tetrahedra of four Cl� ions in P sites are shown. The notationis 3�2PTOT. Figure B.9b shows a view of octahedra and tetrahedra with C3

axes aligned with the body diagonal of the cell. The P, T, and O layers arelabeled. The spacings represent accurately those of the CsCl cell. No approx-imations are required.

Spacial Relationships in Close-Packed Structures

An octahedral site is at the center of an octahedron. In a close-packed structurethe octahedra have theC3 axes aligned perpendicular to the close-packed layers.This is the packing direction. Opposite staggered triangular faces of an octahe-dron are in each of the packing layers (P). The octahedral site is exactly halfwaybetween these faces and the packing layers. In Figure B.10a a tetrahedron isshown within a cube and the edge of the cube is a. In Figure B.10b the tetrahe-dron is viewed with M, X1, and X2 in a plane and X1------X2 is an edge of thetetrahedron.TheX1------X2 edge is a facediagonal of the cube,X1------X2 ¼

ffiffiffi

2p

a.M—Xare bond lengths, one-half of the body diagonal of the cube (Figure B.9a),M------X1 ¼M------X2 ¼ a

ffiffiffi

3p

=2. The bond angle hXMX is 109.488, so hMX2X1 ¼(1808 � 109:488)=2 ¼ 35:268, hX1X2Y ¼ 908 � 35:268 ¼ 54:748, the angle, hYX2M¼ 54:748 � 35:268 ¼ 19:488. The distance Y------X1 is the distance between layers.

sin 19:48� ¼ 0:333 ¼ (M------Y)=(M------X2) sin 54:74� ¼ 0:816 ¼ (Y------X1)=(X1------X2)

¼ (M------Y)=affiffiffi

3p

=2 ¼ (Y------X1)=ffiffiffi

2p

a

M------Y ¼ 0:333� affiffiffi

3p

=2 ¼ 0:288a: Y------X1 ¼ 1:155a

(M------Y)=(Y------X1) ¼ 0:288a=1:155a ¼ 0:25

Figure B.8. BiF3 models built from stacking octahedra and tetrahedra and a figure showing therelationships of octahedra, tetrahedra and P, T, and O layers.

(Source:CrystalMaker, by David Palmer, CrystalMaker Software Ltd., Begbroke Science Park, Bldg. 5, SandyLane, Yarnton, Oxfordshire, OX51PF, UK.)

Figure B.9. (a) Eight CsCl cells, Csþ ions are in the centers of cells (T sites). Cl� ions, at thecorners, are in P sites (dark spheres) and O sites (light spheres). (b) A side view showing thespacings of the layers.

(Source: CrystalMaker, by David Palmer, CrystalMaker Software Ltd., Begbroke Science Park, Bldg. 5, SandyLane, Yarnton, Oxfordshire, OX51PF, UK.)

Models from Stacking Polyhedra 315

Page 11: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Thus, the height of the center of the tetrahedron is one-quarter of the distancebetween packing layers.The spacings of O and T layers are seen easily from geometry. Figure B.11

shows a view of the BiLi3 structure showing the P, T, and O layers with atomsaligned. The diagonals from P sites cross at O sites so the O sites are halfwaybetween P layers. The diagonals connecting sites in P and O layers cross at thelevel of T sites so the T sites must be halfway between P and O layers, or one-fourth and three-fourths of the distance between P layers.

Figure B.10. (a) A MX4 tetrahedron within a cube. (b) A view of the tetrahe-dron with M and two X atoms in a plane.

(Source: CrystalMaker, by David Palmer, CrystalMaker Software Ltd., Begbroke SciencePark, Bldg. 5, Sandy Lane, Yarnton, Oxfordshire, OX51PF, UK.)

Figure B.11. A side view showing the spacings of P, T, andO layers in a close-packed structures.

(Source: CrystalMaker, by David Palmer, CrystalMaker Software Ltd., Begbroke SciencePark, Bldg. 5, Sandy Lane, Yarnton, Oxfordshire, OX51PF, UK.)

316 Appendix B

Page 12: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Subject Index

AA, B, C close-packing

positions 22Acetylene 282Adamantane 279Adams, D. M. 19, 303Akermanite, Ca2MgSi2O7 239, 258FAlbite, NaAlSi3O8 243Alumina, Al2O3, see CorundumAluminum boride, AlB2 176,

177F, 303structures 177

Aluminum bromide 135, 136FAluminum chloride 78, 79FAluminum-chromium, AlCr2 217FAluminum fluoride 101Aluminum hydroxide oxide 91, 92FAluminum-manganese-copper,

AlMnCu2 215, 216FAluminum zinc sulfide, Al2ZnS4 123Amethyst, quartz 237Ammonia 294Ammonium chloride 157FAmmonium chlorite 159FAmmonium cyanide 158FAmmonium hexafluorosilicate 111F,

184Fstructures 112

Ammonium hydrogen fluoride 157,158F

Amphibole, double chain silicate 240Anatase, TiO2 78, 79FAndalusite, Al2SiO5 239, 247, 249,

252FAnorthite, CaAl2Si2O8 243Anthracene, C14H10 289FAnti-fluorite, M2X 124, 125Fstructures 126

Antigorite, serpetine 242, 267FAntimony 55FAntimony pentachloride 60FAntimonytrimethyl dibromide 61FAntimony plumbate 106, 107FAntimony pentachloride 60FApophyllite, sheet silicate 241Aquamarine, beryl 239Aragonite, CaCO3 74, 75Fcarbonate positions 75F

Arsenic 54, 55FAsbestos, silicate chains or rolled

sheets 240Assigning notation 25, 299Atacamite, Cu2Cl(OH)3 86, 87FA-type, M2O3 or rare-earth 114Avicennite, Tl2O3 130FAzakoff, L. V. 19Azidocarbonamide 284, 285F

BBand theory 198Bardeen, J. 81Barium ferrate, BaFe12O19 191, 192FBarium manganate 98, 99FBarium iron molybdenate,

Ba2FeMoO6 84Barium nickelate 97FBarium perchlorate 180, 181FBarium strontium tantalate,

Ba3SrTa2O9 84, 85FBarium tantalate, Ba5Ta4O15 115F,

116Barium titanate 97, 98FBarlow, W. 2, 15Barlow’s structures 3Fbcc 43, 292structure 35F

Page 13: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Bednorz, G. 81Benitoite, BaTiSi3O9 239Benzene 287, 288FBenzene-chlorine, C6H6.Cl2 289,

290FDibenzenechromium 56, 292Bergman, T. 6Beryl, Be3Al2Si6O18 239, 259, 260FBeryllium aluminate, BeAl2O4 165,

167FBeryllium nitride 190, 191FBiotite, layered silicate 241, 276FBismuth-indium, BiIn 200, 201FBismuth pentafluoride 87, 88FBismuth trifluoride 148F, 156, 216F,

315FBismuth triiodide 192, 193FBismuth-lithium BiLi3 215, 216FBismuth-magnesium (2:3) 225, 226FBody-centered cells 3F, 6Body-centered cubic, see bccPentaborane 149, 150FBoron 49FBoron trichloride 60Diborontetrachloride 57, 58Tetraborontetrachloride 149, 150FBoron trifluoride 9FBragg, L. 19, 51Brass 197, 199, 213Bravais, A. 1Bravais lattices 1, 6, 8, 9FBrewer, L. 36Brookite, TiO2 78Brucite, Mg(OH)2 111FBuckminsterfullerene 50FBuckyball, C60 50FBuerger, M. J. 19Burdett, J. K. 296

CCadmium chloride 108F, 300, 315FCadmium iodide 110FCalaverite, AuTe2 112FCalcite, CaCO3 2F, 68F, 295carbonate positions 75F

Calcium boride, CaB6 155Fstructures 156

Calcium carbide 56, 65Fstructures 197

Calcium-copper, CaCu5 210, 211FCalcium carbonate, see Calcite,

AragoniteCalcium-indium, CaIn2 213F, 303Calcium silicide 128, 129F

Calcium titanate, see PerovskiteCalcium tungstate, CaWO4 132, 133FCalcium uranyl dioxide 138FCarbon 51F, 52FC60 50F

Carbon dioxide 56, 57FCarbon monoxide 56Carbon tetrachloride 279Carborundum, SiC 143, 145F, 146FCassiterite, SnO2 89ccp 34, 294different sites 148Ffilling layers 32Fneighbors 44F, 313FP layers 29Fstructures 3F, 29F, 32F, 34FT sites 162F

ccp to bcc conversion 42F, 45CD included with book 305Celsian, BaAl2Si2O8 243Center of symmetry 7Cesium chloride 3F, 153, 154F, 301,

315Fstructures 155, 196

Cesium suboxide 99, 100FChabazite, zeolite 243, 244FChains, silicates 240FChalcopyrite, CuFeS2 119FChevrel phases 156Chlorine 48FChlorite, layered silicate 248, 277FTetrachloroplatinate(II) 9FDichloropropane (2,2) 279Chromium(III) chloride 109FChromium sulfides 103F, 104FChromium-sulfur phases 103Chrysoberyl, BeAl2O4 165, 167FChrysotile, Mg3Si2O5(OH)4 240, 242Chu, P. 81Cinnabar, HgS 172, 173FCitrine, quartz 237Clay minerals, layered silicates 242,

268Close-packed layers 21, 1883 layers 22F, 305Fnetworks 295F, 305Fpositions 22F, 24F, 25F

CN, coordination number 26Cobalt(II) iodide hydrate 105, 106FCobalt-tin, CoSn 211, 212FConversion, ccp to bcc 39, 42FCooper, L. 81Cooperite, PtS 130FCoordination compounds

318 Subject Index

Page 14: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

[Co(NH3)6]TlCl6 67Cu[C6H4O(CHO)]2 153F[Fe(CH3NC)6]Cl2.3H2O 175FK2NiF4 88, 89FK2PtCl4 164FK2PtCl6 127, 128F, 302[N(CH3)4]2SnCl6 128(NH4)2SiF6 111F, 112, 184FNi[(CH3)2C2N2O2H]2 61, 62F[Ni(H2O)6]SnCl6 160FTlAlF4 156F

Coordination number, CN 26Copper-aluminum, CuAl2 218, 220FCopper(II) bromide 112, 113FCopper cesium chloride 87, 88FCopper chloride hydroxide 86, 87FCopper family 38Copper gallinate 170FCopper germanate 169,

170F, 171Copper hydroxide 91, 92FCopper mercury iodide,

Cu2HgI4 120FCopper(I) nitride 84, 86FCopper(I) oxide 135FCopper sulfide 182F, 302Copper-titanium, CuTi 221FCopper tungstate 74FCopper-zincCuZn 213CuZn3 199system 197F

Cordierite, Mg2Al4Si5O18.H2O260, 261F

Corundum, Al2O3 93, 94F, 298Covellite, CuS 182FCristobalite, SiO2 233, 235, 236FCrystal classes 13, 17Crystal systems 8, 9F, 17, 18CrystalMaker1 300C-type M2O3 structures 130, 132FCubanite, CuFe2S3 137F, 300Cubic, simple 8, 9FCubic close-packed, see ccpCubic system 6Cuboctahedron 44, 310Cuprite, Cu2O 135FCuproscheelite, CuWO4 73, 74FCutouts, polyhedra 311F, 312FTetracyanoethylene 283, 284F

Cyanogen, (CN)2 281, 282FCyclohexane 279Cymrite, BaAlSi3O8(OH).H2O

269, 270F

DDensities of metals 40, 45Diamond 51Fcubic 53hexagonal 53

Diaspore, AlO(OH) 91, 92FDiatomic molecules 47Dihedral groups 13Dimethylglyoxime, Ni complex 62FDinitrobenzene 291FDiphenylbenzene 290F, 291Diopside, CaMgSi2O6 240, 264FDonohue, J. 36, 41Double hexagonal 22, 26Double layers 172, 176Douglas, B. E. 293, 303

EElectron compounds 198Elements 34, 37, 40Emerald, beryl 239Enargite, Cu3AsS4 123, 124FEnergy states, 3 electrons/2 atoms

198FEnstatite, pyroxene, MgSiO3 240Ethane 280, 281FEthylene 283F

FFace-centered cells 6Face-centered cubic, fcc 8Fajans’ rules 293Fayalite, (Fe, Mg)2SiO4 244fcc 45Ffcc to 608 rhombohedral cell 309FFederov, E. S. 15Feldspars 243monoclinic 243triclinic 243

Ferrocene 9FFerromagnetic compounds 84Fluorite 4, 124, 126F, 169F, 313Fstructures 127

Forsterite, Mg2SiO4 238, 244, 245FFramework silicates 242

GGadolinium formate 59FGallium 39Gallium-platinum (3:5) 208, 209FGallium selenide 143, 144FGallium sulfide 39GaS 142FGa2S3 117

Subject Index 319

Page 15: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Garnets, MII3M

III2 (SiO4)3 239

Gehlenite, Ca2Al(AlSi)O7 239, 258Gems 51, 93, 239, 246, 248, 260Germanium 36, 42Germanium sulfide 122FGlide plane 10Gold-beryllium, AuBe5 229Gold-copper, AuCu3 203FGold telluride 112FGraphite 51, 52Fto diamond 53F

HHalite, see sodium chlorideHauy, R. J. 2hcp 3F, 23F, 35F, 294all layers 28F, 125FPartial layers 302Fneighbors 313F

Hematite, Fe2O3 94, 95F, 298Hermann-Mauguinnotation 16symbols 18

Heulandite, zeolite 243, 244FHexagonal cell, A, B, C

positions 300Flayers 300Fpartial filling 302F

Hexagonal close-packed, see hcpHexagonal system 6Hexagonal to trigonal cells 7F, 309FHorizontal plane 7Hume-Rothery phases 198Hydrazine 61FHydrogen 47Tetrakis(hydroxomethyl)

methane 285F

IIce Ic, H2O 117, 119FIce Ih 121, 122FIlmenite, FeTiO3 94, 96F, 298Improper axes 11Improper rotation 8, 10FIndex of notation 26Indialite, Mg2Al4Si5O18.H2O

260, 261FIndium cadmium selenide,

In2CdSe4 119, 120F, 302Indium-nickel, InNi2 223FIndium selenide 123FInsulators 195, 198Intermetallic compounds

195, 292

Intermetallic compounds, CsClstructures 196

International symbol 17Interstitial sites 22Interstitial solid solutions 197Iodine heptafluoride 57, 58FIodoform 279, 280FIridium-vanadium, IrV 214FIron 36Iron carbide, FeC 78, 80FIron-isocyanomethyl complex 174,

175FIron nitride, Fe4N 109, 110FIron oxide, Fe2O3 94, 95FIron titanate 94, 96F

JJadeite, Na(Al, Fe)Si2O6 264, 265F

KKaolinite, clay mineral 242, 268FKepler, J. 1Kyanite, Al2SiO5 247, 249, 251F

LL (layer) 26spacing layers 24F, 316F

L1=2 layers 32FL1=4 and L3=4 layers 31FL1=3 and L2=3 layers 30FLanthanum boride, LaB6 155FLanthanum oxide 114F, 298structures 115

Lattice symbols 4Laumonite, zeolite 243, 244FLaves phases 226–232frameworks 227FMgCu2 229F, 230FMgNi2 232FMgZn2 231Fstructures 228, 231truncated tetrahedron 227F

Laves’ principles 21Layer structures 108–113, 140, 298Lead-lithium (2:7) 224, 225FLead-lithium (3:8) 218FLead-magnesium, PbMg2 222FLead oxide 130, 131F, 294Lithium aluminum silicate,

LiAlSiO4 254FLithium antimonate, LiSbO3 95, 96FLithium ferrate, LiFeO2 71FLithium iodate 104FLithium oxide 124, 125F

320 Subject Index

Page 16: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Lithium peroxide 184, 185FLithium-tin, LiSn 208, 210FLizardite, Mg3Si2O5(OH)4 266FLone pairs 294

MMagnesium-cadmium, MgCd3 199FMagnesium-copper, MgCu2 227F,

228, 229F, 230FMagnesium hydroxide 111FMagnesium-nickel, MgNi2 227F, 231,

232FMagnesium silver arsenide,

MgAgS 126, 127FMagnesium-zinc, MgZn2 227F, 230,

231FManganese 39Manganese-gold (2:5) 208, 209FMarcasite, FeS2 90FMartensite, FeC 78, 80FMelilite, akermanite to gehlenite 258Mercury 39Mercury peroxide 66, 67FMercury-sodium, HgNa 201FMercury sulfide, cinnabar 172, 173FMetals 35, 291densities 40, 45

Methane 9F, 292Trimethylamine borontrifluoride 59FTetramethylammonium

chloride 174FTetramethylammonium

dichloroiodate(1–) 159, 160FTrimethylantimony dibromide 60,

61FDimethylpropane (2,2) 278Miller index 11F, 12FMirror planes 7Moissanite SiC 143Molecular crystal structures 48, 56,

149Molecular sieves 243Molecules, large discrete 48Molybdenite, MoS2 139, 140F, 193,

298Molybdenum-aluminum (3:8) 200FMolybdenum-aluminum (1:12) 214FMolybdenum carbide 77FMolybdenum-nickel, MoNi4 205,

206FMolybdenum-platinum, MoPt2 207FMolybdenum sulfide, see

MolybdeniteMonoclinic system 6

Monticellite, CaMgSiO4 244Montmorillonite, layered silicate 272,

273FMooser, E. and Pearson, W. B. 296,

298Mordenite, zeolite 243, 244FMorganite, beryl 239Muller, A. 81Multiple layers 172, 176, 192Muscovite, layered silicate

273F, 274MX compounds 64, 155, 295MX2 compounds 127, 297, 298M2X compounds 126, 297M2M

0X4 compounds 165, 166M2X3 compounds 298

NNaphthalene 288FNepheline, (KNa3)Al4Si4O16 261,

262FNiccolite (nickeline), NiAs 72F, 295,

314FNickel-aluminum (2:3) 225, 226FNickel arsenide 72F, 295, 315Fstructures 73

Nickel dimethylglyoxime 61, 62FTrinickel diselenide 194FNiobium-nickel, NbNi8 212FNiobium oxide 85, 86FNiobium-rhodium, NbRh 201, 202Fp-dinitrobenzene 291FNitrogen 47FNitrogen family 53Dinitrogenpentaoxide 180, 181FNitrous oxide 56Noble gases 34Nonmetals 47Notation, PTOT 25, 299

OO sites 22, 23F, 25F, 44FO and T layers, spacing 24F, 316FOctahedra, stacking 315FOctahedral site 22, 23F, 25F, 44FOlivine, (Mg, Fe)2SiO4 244, 245FOmisteinbergite, layered silicate

268, 269FOnnes, K. 81Optical activity 236Orthoclase, KAlSi3O8 243Orthorhombic system 6Orthosilicates 239, 244Osmium tetraoxide 58, 292

Subject Index 321

Page 17: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Oxalic acid 282FOxygen, O2 48Oxygen family 55

PP layers 3ccp 29F

P, T and O layers 24Fpattern 295F, 305Fspacings 24F, 316F

Tetrapalladium selenide 152, 154FParagasite, amphibole 264, 266Partially filled layers 30F, 31F, 32F,

302FPearls 74Pearson, W. B. 19, 303Pearson’s symbols 19Peridot, olivine 244Perovskite, CaTiO3 79, 80F, 299structures 82, 84

Phenakite, Be2SiO4 239, 254, 255Fp-diphenylbenzene 289, 290FPhillips, F. C. 19Phlogopite, a mica 242, 254,

274, 275FPhosphorus 53, 54FPiezoelectricity 237Plagioclase feldspars 243Platinum-mercury, PtHg4 217FPlatinum sulfide 130FPlatonic solids 310FPlutonium 36, 38, 39PO crystal structures 27, 63PO hcp crystal structure 72Point groups 7, 13, 18Polarization 292Polonium 56Polyhedra 311F, 312Fccp 44F, 314F, 315Fcutouts 312F, 313Fhcp 314Fstacking 314F, 315F

Potassium azide 160, 161FPotassium

hexachloroplatinate(IV) 127,128F, 302

structures 129Potassium

tetrachloroplatinate(II) 164FPotassium tetrafluoronickelate(II) 88,

89FPotassium fullerene, K3C60 161, 162FPotassium nonahydridorhenate 189FPredicting structures 295

Proper rotation 7, 8, 10FTetra(n-propyl)ammonium

bromide 286, 287FProustite, Ag3AsS3 187FPT structures 27PTOT framework 24PTOT notation 25PTOT structures 26, 35F, 149, 153,

163PTOT system 24F, 25F, 316FPTT structures 28, 124Pyrargyrite, Ag3SbS3 187Pyrite, FeS2 65, 66Fstructures 66, 196

Pyrochlore, Ca2Ta2O7 133, 134Fstructures 134

Pyrophyllite, AlSi2O5(OH) 242, 271,272F

Pyrosilicates 256Pyroxene, single chain silicate 240

QQuartz, SiO2 233, 235, 236F, 237a and b 237Foptical activity 236

RRadius ratio 199, 295, 296Regular solids 310FRhenium diboride 141FRhenium triboride 163FRhenium dioxide 91FRhodium trioxide 84, 85F, 300Rhombohedral-hexagonal cells 7FRock salt, see sodium chlorideRose quartz 237Rotation, proper and improper 8, 10FRotational groups 8Rotation-inversion 10Rotation-reflection 9Ruby, Al2O3 93Rutile, TiO2 89, 90F, 297structures 89

SBis(salicylaldehydato)copper(II) 152,

153FSandwich compounds 108F, 109F,

110F, 111F, 140F, 298Sanmartinite, ZnWO4 74FSapphires, Al2O3 93Scheelite, CaWO4 132, 133Fstructures 133

Schoenflies, A. M. 15

322 Subject Index

Page 18: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Schoenflies notation 9Schrieffer, R. 81Screw axis 10Selenium 55Semiconductors 195Serpentines, sheet silicates 242, 266Sheet silicates 240Silica, SiO2 233Silicateschains 240Fcyclic 239Fframeworks of tetrahedra 234Flayered 242Fsheets 240, 241F

Silicon 36, 42Silicon carbide 143, 145F, 146FSilicon tetrafluoride 149FSilicon nitride 188FSillimanite, Al2SiO5 239, 247, 250FSilver arsenic trisulfide,

Ag3AsS3 187FSilver bismuth diselenide 70F, 71Silver cesium iodide, Ag2CsI3 107FSilver copper sulfide, AgCuS 105FSilver iodide 167T’ sites 167F

Silver mercury iodide, Ag2HgI4 120FSizes of ions 292Snow flakes 2FSodalite, Na4(Si3Al3)O12Cl 243FSodium arsenide 178, 179FSodium chloride 3F, 27F, 63, 65F,

162F, 315Fstructures 64

Sodium ferrate 69F, 296structures 70

Sodium nickelate 71, 72FSodium peroxide 185, 186FSodium-platinum, NaPt2 221, 222FSodium-tantalum, NaTl 215FSodium titanyl silicate 256FSolid solutions 197Space group 3, 14, 18Space lattice 14Special positions 12Sphalerite, ZnS, see zinc blendeSpinel, MgAl2O4 17, 165F, 166F, 299inverse 165, 299normal 165, 299structures 166

Spodumene, LiAlSi2O6 240, 263FSquare planar 131FSquare pyramid 131FStannite, Cu2FeSnS4 119F

Stereogramsrotations 13, 14Frotations and planes 5F, 16F

Stereographic projection 12Stishovite, SiO2 237, 238FStromeyerite, AgCuS 105FStructure symbols 19Substitutional solid solutions 197Sulfur 50, 51FSulfur dioxide 57FSulfur nitride, S4N4 150, 151FSuperconductors 81Symmetry operations 7, 8Symmetry planes 7Systems of crystals 6, 8, 9F

TT layers 22spacing 22, 24F, 315

T sites 22, 23F, 25F, 44F, 131FTþ and T� sites 23Talc, clay mineral 241, 270, 271FTantalum nitride, TaN 190FTellurium 55, 56FTephroite, Mn2SiO4 244Tetragonal system 6, 8Tetrahedron 131Fin cube 316Fspacing 316Fstacking 234F, 314F

Thallium tetrafluoroaluminate 156FThallium(I) oxide 113FThallium(III) oxide 130, 132FThallium selenide, TlSe 162FThortveitite, (Sc, Y)2Si2O7 239, 256,

257FTin 42, 43Fdensities 43

Tin(IV) iodide 136FTin-nickel, SnNi3 202FTin-niobium, SnNb3 223, 224FTitanium-aluminum, TiAl3

203, 204FTitanium-copper, TiCu3 203FTitanium-copper, 2:3, 3:4, 218, 219FTitanium-nickel, TiNi3 199Titanium dioxide. see Rutile and

AnataseTitanium phosphide, TiP 77, 78FTopaz, Al2SiO4(F,OH)2 239, 246FTOT layers 242FTOT O TOT layers 242FTourmaline, sheet silicate 262, 263FTremolite, layered silicate 240, 265F

Subject Index 323

Page 19: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Triclinic system 6, 8Tridymite, SiO2 233, 234, 235FTrigonal system 6, 8Triple layers (IIP) 192Tungsten-aluminum, WAl5 210Tungsten (b) structures 224Tungsten carbide 173FTypes of sheet silicates 242FOT 242TOT 242TOT O TOT 242

UUltramarines, basketlike

silicates 243Unit cell 6Uranium dodecaboron 67FUranium hexachloride 100FUranium hexafluoride 101FUrea 283, 284F

VVanadium trifluoride 101, 102FVanadium-zinc (4:5) 216Fvan der Waals interaction 108, 298Vertical planes 7

WWeiss index 11Wells, A. F. 19, 303West, A. R. 303Willemite, Zn2SiO4 254Wollastonite, CaSiO3 239

Wu, M.-K. 81Wurtzite, ZnS 27, 120, 121F,

296, 313Fstacking tetrahedra 314Fstructures 121

Wyckoff, R. W. G. 19

XXenon fluorides 152, 153F

YYtterbium borate 177, 178FYttrium hydroxide 177, 180F

ZZeolites, framework silicates 243,

244FZinc antimonate, ZnSb2O6 92, 93FZinc blende 27, 117F, 126F, 313Fstacking tetrahedra 313Fstructures 118

Zinc iodide 139FZinc sulfide, see wurtzite and zinc

blendeZinc tungstate 74FZintl phases 199Zircon, ZrSiO4 239, 247, 248FZirconium-aluminum, ZrAl3 204,

205FZirconium-gallium, ZrGa2 207, 208FZirconium-gold, ZrAu4

205, 206FZirconium trihalides 101, 102F

324 Subject Index

Page 20: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Minerals and Gems*

Akermanite, Ca2MgSi2O7 258Albite, NaAlSi3O8 243Alumina, Al2O3 94Amethyst, quartz 237Amphibole, double chain 240Anatase, TiO2 79Andalusite, Al2O3.SiO2 252Anorthite, CaAl2Si2O8 243Antigorite, Mg3Si2O5(OH)4 267Antimony 55Apophyllite,

KCa4[F(Si4O10)2].8H2O 241Aquamarine, beryl 239Aragonite, CaCO3 75Asbestos 240Atacamite, Cu2Cl(OH)3 87Avicennite, Tl2O3 130

Benitoite, BaTiSi3O9 239Beryl, Be3Al2Si6O18 260Biotite, layered silicate 276Bismuth 55Brookite, TiO2 78Brucite, Mg(OH)2 111

Calaverite, AuTe2 112Calcite, CaCO3 68Cassiterite, SnO2 89Celsian, BaAl2Si2O8 243Chabazite, zeolite 244Chalcopyrite, CuFeS2 119Chlorite, layered silicate 277Chrysoberyl, Al2BeO4 167Chrysotile, Mg3Si2O5(OH)4 240Cinnabar HgS 172

Citrine, quartz 237Cooperite, PtS 130Copper 38Cordierite, Mg2Al4Ai5O18 261Corundum, a-Al2O3 94Covellite, CuS 182b-Cristobalite, SiO2 236Cubanite, CuFe2S3 137Cuprite, Cu2O 135Cuproscheelite, CuWO4 73Cymrite, Ba(Si, Al)4O8.H2O

270

Diamond 51Diaspore, AlO(OH) 92Diopside, CaMgSi2O6 264

Emerald, beryl 239Enargite, Cu3AsS4 123Enstatite, pyroxene, MgSiO3 240

Fayalite, Fe2SiO4 244Feldspars, 3-dimensional

silicates 243Fluorite, CaF2 6, 169, 314Forsterite, Mg2SiO4 245

Garnets, MII3M

III2 (SiO4)3 239

Gehlenite, Ca2Al(AlSi)O7 239Gold 38Graphite 52

Halite, NaCl 27, 65, 315Hematite, a-Fe2O3 95Heulandite, zeolite 244

*E.H. Nickel and M.C. Nichols, Mineral Reference Manual, van Nostrand Reinhold,New York, 1991

Page 21: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Ice, Ic H2O 117, 119FIce, Ih 122Ilmenite, FeTiO3 96Indialite, Mg2Al3(AlSi5O18).H2O 261Iron 36

Jadeite, Na(Al, Fe)Si2O6 265

Kaolinite, Al2Si2O5(OH)4 268Kyanite, Al2O3.SiO2 251

Laumonite, zeolite 244Lizardite, Mg3Si2O5(OH)4 266

Marcasite, FeS2 90Martensite, FeC 80Melilite, series of pyrosilicates 258Moissanite, SiC 143Molybdenite, MoS2 140Monticellite, CaMgSiO4 244Montmorillonite, layered silicate 273Mordenite, zeolite 244Morganite, beryl 239Muscovite 273

Nepheline, KNa3Al4Si4O16 262Niccolite, NiAs 72, 314

Olivine, (Mg, Fe)2SiO4 245Omisteinbergite, CaAl2Si2O8 268Orthoclase, KAlSi3O8 243

Paragasite, amphibole 266Pearls 74Peridot, olivine 244Perovskite, CaTiO3 80Phenakite, Be2SiO4 255Phlogopite, KMg3(Si3Al)O10F2 275Plagioclase feldspars 243Proustite, Ag3AsS3 187Pyrargyrite, Ag3SbS3 187Pyrite, FeS2 66

Pyrochlore, Ca2Ta2O7 134Pyrophyllite, Al2Si4O10(OH)2 272Pyroxine, chain silicate 240

b-Quartz, SiO2 236, 237

Rose quartz 237Ruby, Al2O3 93Rutile, TiO2 90

Sanmartinite, ZnWO4 74Sapphire, Al2O3 93Scheelite, CaWO4 133Serpentines, sheet silicates 242Silica, SiO2 233Sillimanite, Al2O3.SiO2 250Silver 38Sodalite, Na4(Si3Al3)O12Cl 243Spinel, MgAl2O4 165, 166Spodumene, LiAlSi2O6 263Stannite, Cu2FeSnS4 119Stishovite, SiO2 238Stromeyerite, AgCuS 105Sulfur 50, 51

Talc, Mg3Si4O10(OH)2 271Tephroite, Mn2SiO4 244Thortveitite, Sc2Si2O7 257Topaz, [Al(F, OH)]2SiO4 246Tourmaline, sheet silicate 263Tremolite, layered silicate 265b-Tridymite, SiO2 235

Ultramarines 243

Willemite, Zn2SiO4 254Wollastonite, Ca3Si3O9 239Wurtzite, ZnS 121, 314

Zeolites, framework silicates 244Zinc Blende, ZnS 117, 126, 314Zircon, ZrSiO4 248

326 Minerals and Gems

Page 22: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Formula Index

AAM2 195AcOF 127Ac2O3 115AgB2 177AgBe2 228AgBiS2 71AgBiSe2 70, 71, 171AgBiTe2 71AgBr 64AgCd 155, 196, 198AgCe 155, 196AgCl 64AgCrO2 70, 171AgCuS, stromeyerite 105AgF 64AgFeO2 70, 171AgI 118, 121, 167AgIO4 133AgIn2 219AgLa 155, 196AgLi 196AgMg 155, 196AgNd 196AgPt3 204AgReO4 133AgSbS2 71AgSbSe2 71AgSbTe2 71AgTh2 219AgY 196AgYb 196AgZn 155, 196, 198AgZnAs 128AgZnF3 82AgZn3 198Ag2CsI3 107Ag2Er 197

Ag2HgI4 120Ag2Ho 197Ag2MoO4 166Ag2O 135Ag2Yb 197Ag3Al 198Ag3AsS3, proustite 187Ag3Pt 204Ag3SbS3, pyrargyrite 187Ag5Al3 198Ag5Zn8 198AlAs 118AlB2 176, 177, 303AlBiO3 82AlCl3 78, 79AlCl3.6H2O 79AlCo 196AlCo3 204AlCr2 197, 217[Al(F, OH)]2SiO4, topaz 246AlF3 101AlFe 196AlFeNiO4 166AlMnCu2 215, 216AlMo3 224AlN 121AlNb3 224AlNd 155, 196AlNi 155, 196AlNi3 204AlO(OH), diaspore. 91, 92AlP 118AlPd 196AlSb 118AlSbO4 89AlSc 196AlTh2 219AlZr3 204

Page 23: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Al2Au 127Al2Be3[Si6O18], beryl. 260Al2Br6 136Al2CdO4 166Al2CoO4 166Al2CrS4 166Al2CuO4 166Al2O3, corundum 94, 297Al2O3.SiO2, andalusite 249, 252Al2O3.SiO2, kyanite 249,251Al2O3.SiO2, sillimanite 247, 250Al2Pt 127Al2S3 115Al2SiO5 247, 250–252Al2Si2O5(OH)4, kaolinite 242, 268Al2Si4O10(OH)2, pyrophyllite

271, 272Al2ZnS4 123Al3Er 204Al3Ho 204Al3Np 204Al3U 204Al3Yb 204Am 35AmO 64AmO2 127Am2O3 115As 55AsLiZn 127AsV3 224As2Pd 196As2Pt 196As3GeLi5 127As3Li5Si 127As3Li5Ti 127AuB2 177AuBe2 229AuCd 155, 196AuCu3 203, 204AuEr2 197AuGa2 127AuHo2 197AuIn2 127AuMg 155, 196AuMn 196AuNa2 219AuNb3 224AuPb2 219AuSb2 66, 196AuSn 73AuTa3 224AuTe2 112AuTh2 219AuTi3 224

AuV3 224AuYb 196AuZn 155, 198AuZr3 224Au2Yb 197Au3Al 198Au3Pt 204

BB 49BCl3 60BF3 9BN 118BP 118B2Cl4 57, 58B4Cl4 149, 150B5H9 150B12 49B12H

2�12 8

Ba 37Ba[Al2Si2O8], celsian 243BaAlSi3O8(OH).H2O, cymrite 269,

270BaCd 196BaCeO3 82Ba(ClO4)2.3H2O 180, 181BaF2 127BaFeO3 82BaFe12O19 191, 192BaGa2 177BaHg 196BaIn2O4 166BaMg2 231BaMnO3 98, 99BaMoO3 82, 132BaMoO4 133BaNH 64BaNiO3 97BaO 64BaO2 65BaPbO3 82BaPd2 228BaPrO3 82BaPt2 228BaPuO3 82BaRh2 228BaS 64BaSe 64BaSnO3 82BaTe 64BaThO3 82BaTiO3 82, 97–99BaTiS3 97BaTi[Si3O9], benitoite 239

328 Formula Index

Page 24: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

BaUO3 82BaWO4 133BaZrO3 82BaZrS3 82Ba2CoOsO6 99Ba2CrOsO6 99Ba2CrTaO6 99Ba2ErIrO6 99Ba2FeMoO6 84Ba2FeOsO6 99Ba2FeReO6 84Ba2FeSbO6 99Ba2NiOsO6 99Ba2RhUO6 99Ba3CoTi2O9 99Ba3FeTi2O9 99Ba3IrTi2O9 99Ba3MoCr2O9 99Ba3OsTi2O9 99Ba3SrTa2O9 84, 85Ba3UCr2O9 99Ba3WCr2O9 99Ba5Ta4O15 115, 116Be 7, 38BeAl2O4, chrysoberyl 165, 167, 244BeCo 155, 196BeCu 155, 196BeNi 196BeO 121BePd 155, 196BeS 118BeSe 118BeTa2 219BeTe 118Be2B 127Be2C 126, 127Be2SiO4, phenakite 254, 255Be3Al2Si6O18, beryl 239, 259, 260Be3N2 190, 191Bi 55BiAsO4 133BiAu2 228BiF3 148, 156, 216, 301, 311, 315BiF5 87, 88BiI3 192, 193BiIn 200, 201BiLi3 215, 216, 314BiNb3 224BiSe 64BiTe 64Bi2Mg3 225, 226Bi2Pd 196Bi2Pt 196BrF5 294

CC 51C, diamond 51, 53C, graphite 51, 52C, graphite to diamond 53C(CH2OH)4 285C(CH2ONO2)4 286CCl4 279CH4 9, 292CHI3 279, 280CHI3.3S8. 280, 281(CH3)3N.BF3 59(CN)2 281, 282(CN)2C ¼ C(CN)2 284CO 56CO2 56, 57(COOH)2, oxalic acid 282C(SCH3)4 286, 287C2H2 282C2H4 283C2H6 280, 281(C3H7)4NB 286, 287C6H4(NO2)2, p-dinitrobenzene 291C6H6 287, 288C6H6.Cl2 289, 290C10H8, napthalene 288C10H16, adamantane 279C14H10, anthracene 289C18H14, p-diphenylbenzene 289, 290C60 50, 292Ca 38CaAg2 231CaAl(AlSi)O7, gehlenite 239, 258CaAl2 228CaAl2Si2O8, anorthite 243CaAl2Si2O8, omisteinbergite

268, 269CaAl2Si4O12.4H2O, laumonite 243,

244CaAl2Si4O12.6H2O, chabazite 243,

244CaB6 155, 156CaCN2 171CaCO3, aragonite 74, 75CaCO3, calcite 2, 68, 296CaC2 65, 304CaCd 199CaCd2 231CaCeO3 82CaCu5 210, 211CaF2, fluorite 126, 169, 297, 311, 313CaGa2 177CaHg2 177CaIn2 213, 302

Formula Index 329

Page 25: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

CaIn2O4 166CaLi2 231CaMgSiO4, monticellite 244CaMgSi2O6, diopside 263, 264CaMg2 231CaMnO3 82CaMoO3 82CaMoO4 133CaNH 64CaNa2Al2Si7O18.6H2O,

heulandite 243, 244CaNi5 211CaO 64CaO2 65CaPb3 204CaPd2 228CaPt2 228CaS 64CaSe 64CaSi2 128, 129CaSn3 204CaSnO3 82.CaTe 64CaThO3 82CaTi 196CaTiO3, perovskite 79, 80, 82, 84, 299CaTl 155CaTl3 204Ca(UO2)O2 138CaVO3 82CaWO4, scheelite 132, 133CaVO3 82CaZn2 199CaZrO3 82Ca2Al(Si, Al)O7, gehlenite 239, 258Ca2CrMoO6 84Ca2CrReO6 84Ca2CrWO6 84Ca2FeMoO6 84Ca2FeReO6 84Ca2MgSi2O7, akermanite 258Ca2Mg5[(OH)2j(Si4O11)2],

tremolite. 240, 265Ca2Sb2O7 134Ca2Ta2O7, pyrochlore 133, 134Ca3[Si3O9], wollastonite 239Ca4K[Fj(Si4O10)2].8H2O,

apophyllite 241Cd 38Cd(CN)2 135CdCe 155, 196CdCeO3 82CdCl2 108, 298, 300, 311, 315CdCr2O4 166

CdCuSb 128CdEu 196CdF2 127CdFe2O4 166CdGa2O4 166CdI2 110CdIn2O4 166CdLa 155, 196CdMg3 199CdMn2O4 166CdMoO4 133CdO 64CdO2 66CdPd 155CdPr 155, 196CdPt3 204CdRh2O4 166CdS 118, 121CdSe 121CdSnO3 82CdTe 118CdThO3 82CdTiO3 82CdV2O4 166Cd2Nb2O7 133Cd2Sb2O7 133Cd2Ta2O7 133Cd3Nb 204Ce 35CeAl2 228CeAlO3 82CeAs 64CeB6 156CeBi 64CeCo2 228CeCo5 211CeCrO3 82CeFe2 228CeFeO3 82CeGa2 177CeGaO3 82CeGeO4 133CeH2 127CeHg 196CeIn3 204CeIr2 228CeMg 196CeMg2 228CeN 64CeNi2 228CeO2 127CeOF 127CeOs2 228CeP 64

330 Formula Index

Page 26: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

CePb3 204CePt3 204, 228CeRh2 228CeRu2 228CeS 64CeSb 64CeSe 64CeSn3 204CeTe 64CeVO3 82CeZn 196Ce2O3 115Ce3In 204Cl2 48ClF3 293CmO2 127Cm2O3 132Co 38CoAl 198CoAsS 66CoF2 89CoFe 196CoFeGe 224CoGeMn 224[Co(H2O)6][SiF6] 161CoI2.6H2O 105, 106CoMnSb 128[Co(NH3)4(H2O)2][Co(CN)6] 161[Co(NH3)4(H2O)2][TlCl6] 68[Co(NH3)5H2O][Co(CN)6] 161[Co(NH3)5H2O][Fe(CN)6] 161[Co(NH3)6][BiCl6] 68[Co(NH3)6][Co(CN)6] 161[Co(NH3)6][PbCl6] 68[Co(NH3)6][TlBr6] 68[Co(NH3)6][TlCl6] .67CoNiSb 224CoNiSn 224CoO 64CoPt3 204CoS 73CoS2 66CoSb 73CoSc 196CoSc2 219CoSe 73CoSe2 66CoSi2 127CoSn 211, 212CoSn2 219CoTe 73CoV3 224CoZn3 198Co2B 219

Co2CuO4 166Co2CuS4 166Co2GeO4 166Co2MgO4 166Co2MnO4 166Co2NiO4 166Co2SnO4 166Co2TiO4 166Co2ZnO4 166Co3O4 166Co3S4 166Co3Se4 166CrB2 177CrBe2 231CrBiO3 82Cr(C6H6)2 56, 292CrCl3 109CrIr3 204CrMg2 231CrN 64CrNbO4 89CrO2 89CrRhO3 95CrS 73, 103CrSb 73CrSbO4 89CrSe 73CrSr 196CrTaO4 89CrTe 73Cr2B 219Cr2CdO4 166Cr2CdS4 166Cr2CdSe4 166Cr2CoO4 166Cr2CoS4 166Cr2CuS4 166Cr2CuSe4 166Cr2CuTe4 166Cr2FeO4 166Cr2FeS4 166Cr2HgS4 166Cr2MnO4 166Cr2MnS4 166Cr2NiO4 166Cr2S3 103Cr2ZnO4 166Cr2ZnS4 166Cr2ZnSe4 166Cr3Pt 204Cr3S4 103Cr5S6 103Cr7S8 103CsBi2 228

Formula Index 331

Page 27: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

CsCN 155CsCaF3 82CsCdBr3 82CsCdCl3 82CsCl 3, 154, 155, 196, 215, 295,

314, 316CsCrO3F 133CsF 64CsH 64CsHgBr3 82CsHgCl3 82CsI 155CsIO3 82CsMgF3 82CsNH2 155, 174CsO2 65CsPbBr3 82CsPbCl3 82CsPbF3 82CsSH 155CsSeH 155CsZnF3 82Cs2CoF6 129Cs2CrCl6 129Cs2CrF6 129Cs2GeCl6 129Cs2GeF6 129Cs2HfF6 112Cs2MnF6 129Cs2MoBr6 129Cs2MoCl6 129Cs2NiF6 129Cs2O 109Cs2PbCl6 129Cs2PdBr6 129Cs2PdCl6 129Cs2PdF6 129Cs2PoBr6 129Cs2PoI6 129Cs2PtBr6 129Cs2PtCl6 129Cs2PtF6 112Cs2PuF6 112Cs2ReF6 112Cs2RuF6 112Cs2SeCl6 129Cs2SiF6 129Cs2SnBr6 129Cs2SnCl6 129Cs2SnI6 129Cs2TeBr6 129Cs2TeCl6 129Cs2TeI6 129Cs2ThF6 112

Cs2TiCl6 129Cs2TiF6 64, 129Cs2UF6 112Cs2ZrF6 112Cs3O 99, 100Cu family 38CuAl2 218–220CuAlO2 70, 171CuBe2 228CuBr 118, 121CuBr2 112, 113Cu[C6H4O(CHO)]2 153CuCl 118, 121CuCl2 112CuCoO2 70, 171CuCrO2 70, 171CuEu 196CuF 118CuFeO2 70, 171CuFeS2, chalcopyrite 118, 119CuFe2S3, cubanite 137, 300CuGaO2 170, 171CuGeO3 169–171CuH 121CuI 118, 121CuMgBi 128CuMgSb 128Cu(OH)2 91, 92CuPd 196CuRhO2 70, 171CuS, covellite 182, 297, 302CuSn 73CuTh2 219CuTi 221CuWO4 73, 74CuY 196CuZn 155, 196, 198, 213Cu-Zn system 197CuZn3 198, 199Cu2Cl(OH)3, atacamite 86, 87Cu2CsCl3 87, 88Cu2FeSnS4, stannite

118, 119Cu2HgI4 120Cu2O, cuprite 135Cu2SnS4 166Cu3Al 198Cu3AsS4 123, 124Cu3N 84, 86Cu3Pd 204Cu3Pt 204Cu3Si 198Cu3Sn 198Cu5Sn 198

332 Formula Index

Page 28: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Cu5Zn8 198Cu9Al4 198Cu31Sn8 198

DDyAlO3 82DyAs 64DyB6 156DyCo2 228DyFe2 228DyFeO3 82DyH2 127DyIr2 228DyMn2 228DyMnO3 82DyN 64DyNi2 228DyPt2 228DyRh2 228DySb 64DyTe 64Dy2Ru2O7 134Dy2Sn2O7 134Dy2Tc2O7 134Dy2Ti2O7 134

EErAs 64ErB6 156ErCo2 228ErFe2 228ErH2 127ErIn3 204ErIr2 228ErMn2 228ErN 64ErNi2 228ErPt3 204ErRh2 228ErSb 64ErTe 64ErTl 196ErTl3 204Er2O3 132Er2Ru2O7 134Er2Sn2O7 134Er2Tc2O7 134Er2Ti2O7 134EuAlO3 82EuB6 156EuCrO3 82EuF2 127EuFeO3 82EuGa2 177

EuHg2 177EuIr2 228EuN 64EuO 64EuS 64EuSe 64EuTe 64EuTiO3 82EuZn 196Eu2O3 132Eu2Ru2O7 134Eu2Sn2O7 134

FF2 48Fe 36FeAl 198FeAlMgO4 166FeBe2 228, 231FeBiO3 82FeC, martensite 78, 80[Fe(CH3NC)6]Cl2.3H2O 175Fe(C5H5)2 9FeCrMnO4 166FeF2 89FeGe2 219FeGeMn 224FeGeNi 224(Fe, Mg)2SiO4, fayalite 244FeNbO4 89FeNi3 204FeO 64FePd3 204FeRhO3 95FeS 73FeS2, marcasite 90FeS2, pyrite 65, 66, 296FeSb 73FeSbO4 89FeSe 73FeSn 73FeSn2 219FeTaO4 89FeTe 73FeTiO3, ilmenite 94, 96FeVO3 95Fe2B 219Fe2CdO4 166Fe2CoO4 166Fe2CuO4 166Fe2GeO4 166Fe2(Mg, Mn, Fe)O4 166Fe2MgO4 166Fe2MnO4 166

Formula Index 333

Page 29: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Fe2MoO4 166Fe2NiO4 166Fe2O3 94, 95, 298Fe2PbO4 166Fe2TiO4 166Fe2ZnO4 166Fe3O4 166Fe3S4 166Fe3Sb2 224Fe4N 109, 110

GGa 39GaAs 118GaCr3 224GaMo3 224GaN 121GaNb3 224GaNi 196GaNi3 204GaP 118GaRh 196GaS 142GaSb 118GaSbO4 89GaSe 143GaV3 224Ga2CdO4 166Ga2CoO4 166Ga2CrS4 166Ga2CuO4 166Ga2MgO4 166Ga2MnO4 166Ga2NiO4 166Ga2Pt 127Ga2ZnO4 166Ga2S3 117Ga3Pt5 208, 209Ga3U 204GdAlO3 82GdAs 64GdB6 156GdCo2 228GdCrO3 82Gd(HCOO)3 59GdFe2 228GdFeO3 82GdH2 127GdIr2 228GdMnO3 82GdMn2 228GdN 64GdNi2 228GdPt2 228

GdRh2 228GdSb 64GdSe 64Gd2Ru2O7 134Gd2Sn2O7 134Gd2Ti2O7 134Ge 36, 42GeCr3 224GeLi5N3 127GeLi5P3 127GeMg2 127GeMnNi 224GeMo3 224GeNb3 224GeNi3 204GeO2 89GeS2 122, 299GeV3 224Ge2Mo 197Ge3Pu 204Ge3U 204

HH2 47H2O, Ic ice 117, 119H2O, Ih ice 122HfB2 177HfC 64HfCo2 228HfCr2 228HfFe2 228, 231HfGeO4 133HfMo2 228HfOs2 231HfRe2 231HfV2 228HfW2 228Hg 39HgBr2 293HgCl2 293HgF2 127, 293HgI2 293HgLi 196HgMg 196HgMn 196HgNa 201HgNd 196HgNiF3 82HgO2 67HgPr 196HgS 173HgSe 118HgSr 196HgTe 118

334 Formula Index

Page 30: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

HgTi3 204, 224HgZr3 224Hg2Mg 197Hg3Zr 204HoAs 64HoB6 156HoBi 64HoCo2 228HoFe2 228HoH2 127HoIn 196HoIn3 204HoIr2 228HoMn2 228HoN 64HoNi2 228HoOF 127HoP 64HoPt3 204HoRh2 228HoS 64HoSb 64HoSe 64HoTe 64HoTl 196HoTl3 204Ho2O2Se 115Ho2Ru2O7 134Ho2Sn2O7 134

IIF7 58, 59InAs 118InCu2 224InLa 196InLa3 204InN 121InNb3 224InNd3 204InNi2 223InP 118InPd 196InPr 196InPr3 204InPu3 204InSb 118InTm 196InYb 196In2CaS4 166In2CdO4 166In2CdS4 166In2CdSe4 119, 120, 302In2CoS4 166In2CrS4 166

In2FeS4 166In2HgS4 166In2MgO4 166In2MgS4 166In2NiS 166In2Pt 127In2S3 166In2Se3 123In3Pr 204In3Pu 204In3Sc 204In3Tb 204In3Tm 204In3U 204In3Yb 204IrCr3 224IrLu 196IrMn3 204IrMo3 224IrNb3 224IrO2 89IrSb 73IrSn2 127IrTe 73IrTe2 66IrTi3 224IrV 214IrV3 224Ir2P 126, 127

KK[AlSi3O8], orthoclase 243KAl2(AlSi3)O10(OH)2,

muscovite 242, 273KAs4O6I 183KBe2 228KBi2 228KBiS2 71KBiSe2 71KCN 64KCaF3 82KCdF3 82KCl 64KCoF3 82KCrF3 82KCrO3F 133KCrS2 171KCuF3 82KF 64KFeF3 82KFeF4 156KH 64KI 64KIO3 82

Formula Index 335

Page 31: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

KMgAlSi4O10(OH)2.nH2O,montmorillonite 271, 273

KMgF2 82K(Mg, Fe)3[(OH)2jAlSi3O10],

biotite 241, 276KMg3(Si3Al)O10F2, phlogopite 242,

274, 275KMnF3 82KN3 160, 161K(NF2) 153KNO3 76(K, Na)AlSiO4, nepheline 261, 262KO2 65KNa2 231KNbO3 82KNiF3 82KO2 66KOH 64KPb2 231KReO4 133KRuO4 133KSH 64KSeH 64KTaO3 82KTlO2 171KVF4 156KZnF3 82K2Cd(CN)4 166K2CrF6 129K2GeF6 112K2Hg(CN)4 166K2MnF6 112, 129K2MoCl6 129K2NiF4 88, 89K2NiF6 129K2O 126K2OsBr6 129K2OsCl6 129K2Pb2Ge2O7 168K2PdBr6 129K2PdCl6 129K2PtBr6 129K2PtCl4 164K2PtCl6 128, 297, 302K2PtF6 112K2ReBr6 129K2ReCl6 129K2ReF6 112K2ReH9 189K2RuCl6 129K2RuF6 112K2S 126K2Se 126K2SeBr6 129

K2SiF6 129K2SnBr6 129K2SnCl6 129K2TeCl6 129K2TiCl6 129K2TiF6 112K2Zn(CN)4 166K3C60 161, 162

LLa 35LaAlO3 82LaAs 64LaB6 155LaBO3 76LaBi 64LaCoO3 82LaCrO3 82LaFeO3 82LaGa2 177LaGaO3 82LaHg2 177LaIr2 228LaMg 196LaMg2 228LaMnO3 82LaN 64LaNi2 228LaNiO3 82LaOF 127LaOs2 228LaP 64LaPb3 204LaPd3 204LaPt2 228LaPt3 204LaRh2 228LaRhO3 82LaRu2 228LaS 64LaSb 64LaSe 64LaSn3 204LaTe 64LaTiO3 82LaVO3 82LaZn 196LaZn5 211La2Hf2O7 134La2O2Se 115La2O3 114, 115, 298La2Sn2O7 134Li 37, 38LiAg 155

336 Formula Index

Page 32: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

LiAlF4 156LiAlMnO4 166LiAlO2 70, 171LiAlSiO4 253, 254LiAlSi2O6 spodumene 263LiAlTiO4 166LiBaF3 82LiBiS2 71LiBr 64LiCl 64LiCoMnO4 166LiCoO2 70, 171LiCoSbO4 166LiCoVO4 166LiCrGeO4 166LiCrMnO4 166LiCrO2 70, 171LiCrTiO4 166LiD 64LiDyF4 133LiErF4 133LiEuF4 133LiF 64LiFeO2 71LiFeTiO4 166LiGaTiO4 166LiGdF4 133LiGeRhO4 166LiH 64LiHF2 71, 171LiHg 155LiHoF4 133LiI 64LiIO3 104LiLuF4 133LiMgBi 128LiMgN 128LiMgP 127LiMgSb 128LiMnTiO4 166LiNO2 171LiNbO3 95LiNiO2 70, 171LiNiVO4 166LiOs2 231LiPb 196LiRhGeO4 166LiRhMnO4 166LiRhO2 70, 171LiSbO3 95, 96LiSn 208, 210LiTbF4 133LiTi 196LiTiO2 71

LiTiRhO4 166LiTl 155LiTlO2 71LiTmF4 133LiUO3 82LiVO2 171LiYF4 133LiYbF4 133LiZn 199LiZnN 128LiZnP 128LiZnSbO4 166Li2NH 126Li2NiF4 166Li2O 124–126Li2O2 184, 185Li2S 126Li2Se 126Li2Te 126Li5P3Si 127Li5P3Ti 127Li5SiN3 127Li5TiN3 127LiVO2 70LixWO3 82LuB2 177LuB6 156LuCo2 228LuFe2 228LuH2 127LuMn5 231LuN 64LuNi2 228LuRh 196LuRh2 228LuRu2 231Lu2Ru2O7 134Lu2Sn2O7 134

MMAs 195MBi 195MM0O3 82, 84MM0X3 81MMnO 75MSb 195MSn 195MX 64, 73, 155, 295MX2 127, 297, 298M2M

0X4 165, 166M2X 126, 296M2X3 297MII

3MIII2 [SiO4]3, garnet 239

MxMo6X8 157

Formula Index 337

Page 33: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Mg 37, 38MgAgAs 126–128MgAl2O4, spinel 17,

165, 166, 299MgB2 177MgCd3 199MgCe 155MgCeO3 82MgCu2 227–232MgF2 89MgFe2O4 166MgGeO3 95[Mg(H2O)6][SiF6] 161[Mg(H2O)6][SnF6] 161[Mg(H2O)6][TiF6] 161MgHg 155MgLa 155MgLiAs 128MgNiZn 228MgNi2 227–232MgO 64MgO2 66Mg(OH)2, brucite 111MgPr 155, 196MgPu2 127MgS 64MgSc 196MgSe 64Mg[SiO3], enstatite 240MgSr 155, 196MgTe 121MgTi 196MgTl 155MgZn2 227, 230–232Mg2Al3(AlSi5O18).H2O,

cordierite 260, 261Mg2Al3(AlSi5O18).H2O,

indialite 260, 261(Mg, Fe)2[SiO4], olivine 244, 245Mg2GeO4 166Mg2Pb 127, 227Mg2Si 127Mg2[SiO4], forsterite 244, 245Mg2Sn 127Mg2SnO4 166Mg2TiO4 166Mg2VO4 166Mg3Bi2 115Mg3[(OH)2jSi4O10], talc

242, 270, 271Mg3[(OH)4jSi2O5], chrysotile 240,

242Mg3Sb2 115Mg3Si2O5(OH)4, serpentines

antigorite 267chrysotile 240, 242lizardite 266

Mg5Al(Si3Al)O10(OH)8, chlorite 242,277

Mn 39MnAs 73MnB2 177MnBe2 231MnBi 73, 195MnF2 89[Mn(H2O)6][SiF6] 161MnO 64MnO2 89MnPd 196MnPt3 204MnRh 196MnS 64, 118, 121MnS2 66MnSb 73MnSe 64, 118,121MnSe2 66MnSn2 219MnTe 73, 121MnTe2 66Mn2Au5 208, 209Mn2B 219Mn2CuO4 166Mn2LiO4 166Mn2MgO4 166Mn2NiO4 166Mn2O3 132Mn2SiO4, tephroite 244Mn2SnO4 166Mn2TiO4 166Mn3O4 166Mn3Pt 204Mn3Rh 204MoAl12 214MoB2 177MoBe2 231MoC 77MoFe2 231MoNi4 205, 206MoO2 89MoPt2 207MoS2, molybdenite 139,

140, 193, 297MoSi2 197Mo2B 219Mo3Al8 200Mo6Cl

4þ8 157

[Mo6Cl8(OH)4(H2O)2].12H2O 176Mo6S

4�8 157

338 Formula Index

Page 34: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

NN2 47N(CH3)4Br 174N(CH3)4Cl 174N(CH3)4I 174N(CH3)4ICl2 159, 160N(CH3)4MnO4 174[N(CH3)4]2SnCl6 128ND4Br 155ND4Cl 155(NH2C(O)N)2 284, 285(NH2)2CO, urea 283, 284NH3 293NH4Br. 64, 155, 174NH4CN 158NH4Cl 64, 157NH4ClO2 159NH4CoF3 82NH4F 121NH4HF2 157, 158NH4I. 64, 155, 174NH4IO4 133NH4MnF3 82NH4NiO3 82NH4ReO4 133NH4SH 174(NH4)2GeF6 112, 129(NH4)2IrCl6 129(NH4)2PbCl6 129(NH4)2PdBr6 129(NH4)2PdCl6 129(NH4)2PoBr6 129(NH4)2PoCl6 129(NH4)2PtBr6 129(NH4)2SeCl6 129(NH4)2SiF6 111, 184(NH4)2SnBr6 129(NH4)2SnCl6 129(NH4)2TeBr6 129(NH4)2TeCl6 129(NH4)2TiBr6 129(NH4)2TiCl6 129(NH4)2TiF6 112N2H4, hydrazine 61N2O 56N2O5 180, 181Na 37, 38NaAlF4 156NaAlO3 82NaAlSi2O6, jadeite 264Na[AlSi3O8], albite 243NaAlSi4O12.3H2O, mordenite 243,

244NaAu2 228

NaBiO3 95NaBiS2 71NaBiSe2 71NaBr 64NaCN 64NaCa2Mg4Al(Si6Al2O22)(OH, F)2,

paragasite 265, 266NaCa2Mg5(Si7AlO22)(OH)2,

tremolite 265NaCl 3, 27, 63, 65, 162, 315NaCrO2 70, 171NaCrS2 70, 171NaCrSe2 70, 171NaF 64NaFeO2 69, 70, 296NaH 64NaHF2 70NaH(PO3NH2) 76NaI 64NaIO4 133NaInO2 70, 171NaInS2 70, 171NaInSe2 70, 171NaLi3Al6(OH)4(BO3)3Si6O18,

tourmaline 262, 263NaMgF3 82NaMnF3 82NaNO3 296NaNbO3 82NaNiO2 70, 72, 171NaO2 66NaPb3 204NaPt2 221, 222NaReO4 133(NSF)4 152NaSH 64NaSeH 64NaSbO3 95NaTaO3 82NaTcO4 133NaTiO2 70, 171NaTl 215NaTlO2 70, 171NaVO2 70, 171NaWO3 82NaZnAs 128NaZnF3 82Na2MoF6 129Na2O 126Na2O2 185, 186Na2PuF6 112Na2S 126Na2Se 126Na2Te 126

Formula Index 339

Page 35: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

Na2(TiO)SiO4 256Na2WO4 166Na3As 178, 179Na4(Al3Si3)O12Cl sodalite 243Na31Pb8 198NbB2 177NbC 64NbFe2 231NbH2 127NbMn2 231NbN 121NbNi8 212NbO 64, 85, 86NbO2 89NbRh 201, 202NbS 73, 173Nb3Si 204NdAlO3 82NdAs 64NdB6 156NdBi 64NdCo2 228NdCoO3 82NdCr2 228NdCrO3 82NdFeO3 82NdGaO3 82NdH2 127NdIr2 228NdMnO3 82NdN 64NdNi2 228NdOF 127NdP 64NdPt2 228NdPt3 204NdRh2 228NdRu2 228NdS 64NdSb 64NdSe 64NdSn3 204NdTe 64NdVO3 82Nd2Hf2O7 133Nd2O2Se 115Nd2O3 115Nd2Ru2O7 133Nd2Sn2O7 133Nd2Zr2O7 133Ni 37NiAl 198NiAs 72, 296, 315NiAsS 66

NiBi 195Ni[(CH3)2C2N2O2H]2 61, 62NiF2 89[Ni(H2O)6][SiF6] 161[Ni(H2O)6][SnCl6] 160, 161NiMgBi 128NiO 64NiS 73NiS2 66NiSb 73NiSbS 66NiSe 73NiSe2 66NiSi2 127NiSn 73NiTe 73NiV3 224Ni2Al3 225, 226Ni2B 219Ni2FeS4 166Ni2GeO4 166Ni2SiO4 166Ni3S4 166Ni3Si 204Ni3Se2 194Ni3Sn2 224NpAl2 228NpN 64NpO 64NpO2 127

OO2 48OsB2 177OsCr3 224OsMo3 224OsNb3 224OsO2 89OsO4 58, 291OsS2 66OsSe2 66OsTe2 66OsTi 196

PP 54PCl4ICl2 155PH4Br 174PH4I 174PRh2 127P4 53PaO 64PaO2 127Pb 36

340 Formula Index

Page 36: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

PbAu2 228PbCeO3 82PbF2 127PbMg2 222PbMo6S8 157PbMoO4 133PbNb3 224PbO 130, 131, 294PbO2 89PbPd3 204PbPu3 204PbS 64PbSe 64PbSnO3 82PbTe 64PbThO3 82PbTiO3 82PbV3 224PbWO4 133PbZrO3 82Pb2Li7 224, 225Pb2O 135Pb2Pd3 224Pb3Li8 218Pb3Pr 204PdAs2 66, 196PdBi2 66, 196PdF2 89PdH 64PdPb2 219PdSb 73PdSb2 66PdSn 73PdTe 73PdTh2 219PdV3 224Pd3Sn 204Pd3Sn2 224Pd3U 204Pd3Y 204Pd4Se 152, 154Po 56PoO2 127Pr 35PrAlO3 82PrAs 64PrB6 156PrBi 64PrCo2 228PrCoO3 82PrCrO3 82PrFeO3 82PrGa2 177PrGaO3 82

PrH2 127PrIr2 228PrMg2 228PrMnO3 82PrN 64PrNi2 228PrOF 127PrOs2 228PrP 64PrPt2 228PrPt3 204PrRh2 228PrRu2 228PrS 64PrSb 64PrSe 64PrSn3 204PrTe 64PrVO3 82PrZn 196Pr2O3 115, 132Pr2O2Se 115Pr2Ru2O7 134Pr2Sn2O7 134Pt metals 38PtAs2 66PtB 73PtBi 195PtBi2 66, 196PtCl2�4 9PtCr3 224PtHg4 217PtMg2 228PtNb3 224PtP2 66PtS, cooperite 130PtSb 73PtSb2 66, 196PtSn 73PtSn2 127PtTi3 224PtV3 224Pt3Sc 204Pt3Sm 204Pt3Sn 204Pt3Tb 204Pt3Ti 204Pt3Tm 204Pt3Y 204Pt3Yb 204Pt3Zn 204Pt5Zn21 198Pu 38, 39PuAl2 228

Formula Index 341

Page 37: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

PuAlO3 82PuAs 64PuB 64PuB2 177PuB6 156PuC 64PuFe2 228PuMn2 228PuMnO3 82PuN 64PuNi2 228PuO 64PuO2 127PuOF 127PuP 64PuRu2 228PuS 64PuSn3 204PuTe 64PuZn2 228Pu2O3 115, 132

RRa 38RaF2 127RbBr 64RbCaF3 82RbCN 64RbCl 64, 155RbCoF3 82RbCrS2 70, 171RbCrSe2 70, 171RbF 64RbFeF4 156RbH 64RbI 64RbIO3 82RbIO4 133RbMgF3 82RbMnF3 82RbNH2 64RbO2 65RbReO4 133RbSH 64RbSeH 64RbTlO2 70, 171RbZnF3 82Rb2CrF6 129Rb2GeF6 112Rb2HfF6 112Rb2MnF6 129Rb2MoBr6 129Rb2MoCl6 129Rb2NiF6 129

Rb2O 126Rb2PbCl6 129Rb2PdBr6 129Rb2PdCl6 129Rb2PtBr6 129Rb2PtCl6 129Rb2PtF6 112Rb2ReF6 112Rb2RuF6 129Rb2S 126Rb2SbCl6 129Rb2SeCl6 129Rb2SiF6 129Rb2SnBr6 129Rb2SnCl6 129Rb2SnI6 129Rb2TeCl6 129Rb2TiCl6 129Rb2TiF6 112, 129Rb2ZrCl6 129Rb2ZrF6 112ReB2 141ReB3 163ReBe2 231ReO2 91ReO3 84, 85, 300ReSi2 197RhBi 73, 195RhCr3 224RhNb3 224RhNbO4 89RhP2 126RhPb2 219RhS2 66RhSbO4 89RhSe2 66RhSn 73RhTaO4 89RhTe 73RhTe2 66RhV3 224RhVO4 89RhY 196Rh2CdO4 166Rh2CoO4 166Rh2CuO4 166Rh2MgO4 166Rh2MnO4 166Rh2NiO4 166Rh2ZnO4 166Rh3Sc 204Rh5Zn21 198RuB2 177RuCr3 224

342 Formula Index

Page 38: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

RuO2 89RuS2 66RuSe2 66RuSi 196RuSn2 66, 196RuTe2 66RuTi 196Ru3U 204

SSF6 8SO2 57S4N4 151S6 50, 51S8 50Sb 55Sb(CH3)3Br2 60, 61Sb(CH3)3Cl2 60Sb(CH3)3I2 60SbCl5 60SbF5 60SbNb3 224SbTi 196SbTi3 224SbV3 224Sb2PbO6 106, 107ScAs 64ScB2 177ScH2 127ScMn2 231ScN 64ScOs2 231ScRh 196ScSb 64Sc2O3 132Sc2Si2O7, thortveitite 239, 256, 257Se 55Si 36, 42SiB6 156SiC 143, 145, 146SiF4 149SiO2, cristobalite 235, 236SiO2, quartz 235,236SiO2, stishovite 237, 238SiO2, tridymite 234, 235SiTa2 219SiZr2 219Si2W 197Si3N4 188Si3U 204Sm 38SmAlO3 82SmAs 64SmB6 156

SmBi 64SmCoO3 82SmCrO3 82SmFeO3 82SmH2 127SmIr2 228SmN 64SmO 64SmOF 127SmP 64SmRu2 228SmS 64SmSb 64SmSe 64SmTe 64SmVO3 82Sm2O2Se 115Sm2O3 132Sm2Ru2O7 134Sm2Sn2O7 134Sm2Tc2O7 134Sn 42, 43SnAs 64SnCl2 43SnCl4 43SnI4 136SnMn2 224SnMo3 224SnNb3 223, 224SnNi3 202SnO2, cassiterite 89SnSb 64SnSe 64SnTe 64SnTi2 224SnV3 224Sn2Ti2O7 134Sn3U 204Sr 38SrB6 156SrCO3 76SrCeO3 82SrCl2 127SrCoO3 82SrF2 127SrFeO3 82SrGa2 177SrHfO3 82SrHg2 177SrIr2 228SrMg2 231SrMoO3 82SrMoO4 133SrNH 64

Formula Index 343

Page 39: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

SrO 64SrO2 65SrPbO3 82SrPd2 228SrPt2 228SrRh2 228SrS 64SrSe 64SrSnO3 82SrTe 64SrThO3 82SrTi 196SrTiO3 82SrTiS3 97SrTl 155SrWO4 133SrZrO3 82Sr2CrMoO6 84Sr2CrReO6 84Sr2CrWO6 84Sr2FeMoO6 84Sr2FeReO6 84

TTaB2 177TaC 64TaCo2 228, 231TaCoCr 231TaCoTi 231TaCoV 231TaCr2 228, 231TaCuV 228TaFe2 231TaFeNi 228TaMn2 231TaN 190TaO 64TaO2 89TaSnO3 82Ta2B 219TbAs 64TbB6 156TbBi 64TbFe2 228TbH2 127TbIr2 228TbMn2 228TbN 64TbNi2 228TbO2 127TbP 64TbS 64TbSb 64TbSe 64

TbTe 64TbTl3 204Tb2O3 132Tb2Ru2O7 133Tb2Sn2O7 133Te 55, 56TeO2 89TeTh 196ThAl2 177ThB6 156ThC 64ThCo5 211ThCu2 177ThGeO4 133ThIr2 228ThMg2 228ThMn2 231ThNi2 177ThO2 127ThOs2 228ThRu2 228ThS 64ThSb 64ThSe 64ThTe 155ThZn5 211Th2N3 115TiAl3 203, 204TiB2 177TiBe2 228TiC 64TiCo2 228TiCr2 228, 231TiCu3 203TiFe2 231TiMn2 231TiN 64TiNi3 199TiO 64TiO2, anatase 78, 79TiO2, rutile 89, 90, 297TiP 77, 78TiS 73TiSb2 219TiSe 73TiTe 73TiV2 177TiZn3 204Ti2CuS4 166Ti2Cu3 218, 219Ti2MgO4 166Ti2MnO4 166Ti3Cu4 218, 219TlAlF4 156

344 Formula Index

Page 40: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

TlBi 155TlBiS2 71TlBiTe2 70, 171TlBr 155TlCl 155TlCN 155TlCoF3 82TlCrF4 156TlGaF4 156TlI 155TlIO3 82TlReO4 133TlSb 155TlSbS2 71TlSbTe2 70, 171TlSe 162TlTm 196Tl2MoCl6 129Tl2O 113Tl2O3 130, 132Tl2PtCl6 129Tl2SiF6 129Tl2SnCl6 129Tl2TeCl6 129Tl2TiF6 112, 129TmAs 64TmB6 156TmCo2 228TmFe2 228TmH2 127TmIr2 228TmN 64TmNi2 228TmRh 196TmSb 64TmTe 64Tm2O3 132Tm2Ru2O7 134Tm2Sn2O7 134

UUB12 67UAl2 228UAs 64UB2 177UBi 64UC 64UCl6 100UCo2 228UF6 101UFe2 228UGeO4 133UMn2 228UN 64

UN2 127UNi2 231UNiFe 228UO 64UO2 127UOs2 228UP 64US 64USb 64USe 64USi2 177UTe 64

VV 38VB2 177VBe2 231VC 64VF3 101, 102VHg2 177VIr2 228VN 64VNi2 231VO 64VP 73VS 73VSb2 219VSe 73VTe 73V2CdO4 166V2CuS4 166V2FeO4 166V2LiO4 166V2MgO4 16V2MnO4 166V2ZnO4 166V4Zn5 216

WWAl5 210WBe2 231WC 173WFe2 231WO2 89WS2 141W2B 219

XXeF2 153, 294XeF4 152, 294

YYAl2 228YAlO3 82

Formula Index 345

Page 41: Appendix A - Home - Springer978-0-387-36687...B.D. Cullity, Elements of X-ray Diffraction, Addison-Wesley, Reading, MA, 1956. J. Donohue, The Structure of The Elements, Wiley, New

YAs 64YBO3 76, 78YCo2 228YCrO3 82YFe2 228YFeO3 82YH2 127YIr2 228YMn2 228YN 64YNbO4 133YNi2 228YOF 127Y(OH)3 177, 180YPt2 228YRh2 228YTe 64Y2Ru2O7 133Y2Sn2O7 133Y2Ti2O7 133Y2Zr2O7 133YbAs 64YbB6 156YbBO3 177, 178YbCo2 228YbIr2 228YbN 64YbNi2 228YbO 64YbSb 64YbSe 64YbTe 64Yb2O2Se 115Yb2O3 132Yb2Ru2O7 134Yb2Sn2O7 134Yb2Ti2O7 134Yb2Zr2O7 134

ZZn 38Zn(CN)2 135ZnCe 155[Zn(H2O)6][SiF6] 161[Zn(H2O)6][SnF6] 161[Zn(H2O)6][TiF6] 161

[Zn(H2O)6][ZrF6] 161ZnI2 139ZnLa 155ZnO 121ZnO2 66ZnPr 155ZnS, see Wurtzite and Zinc blendeZnS, wurtzite 27, 120, 121, 296, 314ZnS, zinc blende 27, 117, 126, 314ZnSb2O6 93ZnSe 118, 121ZnTe 118ZnTh2 219ZnWO4 74Zn2SiO4, willemite 254Zn2SnO4 166Zn2TiO4 166Zn7Sb2O12 166ZrAl3 204, 205ZrAu4 205, 206ZrB 64ZrB2 177ZrBe2 177ZrC 64ZrCl3 102ZrCo2 228ZrCr2 231ZrFe2 228ZrGa2 207, 208ZrGeO4 133ZrI3 101ZrIr2 228, 231ZrMn2 231ZrMo2 228ZrN 64ZrO 64ZrOs2 231ZrP 64ZrRe2 231ZrRu2 231ZrS 64ZrSiO4, zircon 247, 248ZrTe 73ZrV2 228, 231ZrW2 228ZrZn2 228

346 Formula Index