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Appendix a Further Reading 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. Further Reading 307 W. Hume-Rothery, R.E. Smallman and C.W. Haworth, The Structure of Metals and 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, Kynoch Press, 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 about 10,000 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 of Canada, Ottawa. U. Mu¨ ller, 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, excellent figures, gives occupancies and spacings for close-packed layers for many structures. D. Pettifor, Bonding and Structure of Molecules and Solids, Oxford University Press, 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 excellent coverage 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, New York, 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, London 1993. 308 Appendix A R.W.G. Wyckoff,. Crystal Structures, Vols. 1–6, 2nd ed., Wiley, New York, 1963– 1968. The most comprehensive coverage of crystal structures with fine figures, space groups, unit cell constants and atom coordinates. Vols. 1–4, inorganic compounds and Vols. 5 and 6, organic compounds. Appendix B Polyhedra in Close-Packed Structures Lattice Types The Seven Systems of Crystals are shown in Figure 2.2. The relationship between the trigonal and rhombohedral systems is shown in Figure B.1a. The possibilities of body-centered and base-centered cells give the 14 Bravais Lattices, also shown in Figure 2.2. A face-centered cubic (fcc) cell can be represented as a 608 rhombohedron, as shown in Figure B.1b. The fcc cell is used because it shows the high symmetry of the cube. Polyhedra Figure B.2 shows polyhedra commonly encountered. The five Platonic (or regular) solids are shown at the top. Beside the octahedron and cube, the octahedron is shown inside a cube, oriented so the symmetry elements in common coincide. These solids are conjugates: one formed by connecting the face 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) 310 Appendix B Figure B.2. Platonic and other solids. The numbers of vertices (v) and faces (f) are shown. Models from Stacking Polyhedra 311 dodecahedron are common for coordination compounds with CN 8. The cuboctahedron is encountered in cubic close-packed structures. A cuboctahe- dron is formed by eight ReO6 octahedra in ReO3 (Figure 5.23b). The truncated tetrahedron is encountered in Laves phases (MgM2, Figure 9.43). The bucky ball (not shown in Figure B.2) is the structure of C60 (Figure 4.11). Figures B.3 and B.4 provide cutouts for some polyhedra. Enlarged copies work well. Figure B.3. Cutouts for an octahedron, tetrahedron, cube, and buckyball. 312 Appendix B Figure B.4. Cutouts for an icosahedron, trigonal dodecahedron, and pentagonal dodecahedron. Models from Stacking Polyhedra 313 Polyhedra in Cubic Close-Packed (ccp) and Hexagonal Close-Packed (hcp) Structures For a cubic close-packed (ccp) structure, each atom is surrounded by 12 atoms forming a cuboctahedron (Figure B.5). The six octahedral sites (O) form an octahedron around the central atom and the eight tetrahedral sites (T) form a cube (Figure 4.6). For a hexagonal close-packed (hcp) structure, the polyhedron is shown in Figure B.5. The square and trigonal faces above and below the central plane of the hexagonal plane are aligned. Models from Stacking Polyhedra Good models of many crystal structures can be built by stacking tetrahedra or octahedra. Such models can be helpful in visualizing the structure. Figure B.6 shows the wurtzite (ZnS, 22PT) structure with tetrahedra stacked along the c axis of the hexagonal cell. One of the two sets of T layers between two P layers 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, 32PT, structure) is shown with tetrahedra stacked along the body diagonal of the cubic cell. The S atoms are in an ABC sequence, a ccp arrangement. The A, B,or C positions of Zn are the same as those of the S atom at the upward apex of each 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 cell and F in tetrahedra pointed upward and downward. Figure B.5. The polyhedra of close neighbors of an atom in ccp and hcp structures. (Source: CrystalMaker, by David Palmer, CrystalMaker Software Ltd., Begbroke Science Park, Bldg. 5, Sandy Lane, Yarnton, Oxfordshire, OX51PF, UK.) Figure B.6. Structures built from stacking tetrahedra: ZnS, wurtzite, 22PT; ZnS, zinc blends, 3 2PT; and CaF2, fluorite 3 dPTT. (Source: CrystalMaker, by David Palmer, CrystalMaker Software Ltd., Begbroke Science Park, Bldg. 5, Sandy Lane, Yarnton, Oxfordshire, OX51PF, UK.) 314 Appendix B The structure of NaCl (3 2PO) is shown in Figure B.7 as NaCl6 octahedra À stacked along the body diagonal of the cubic cell. The Cl ions are in an ABC þ sequence and the Na ions in O sites are in an ABC sequence. The NiAs (22PO) structure is shown also. The As atoms are in an AB sequence and Ni atoms 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 between them. The P layers are filled by Cl atoms in an ABC sequence, with alternate O layers vacant.
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