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[资源] 晶体化学（英文版）

Preface xi
1 Crystals and crystal structures 1
1.1 Crystal families and crystal systems 1
1.2 Morphology and crystal classes 3
1.3 The determination of crystal structures 5
1.4 The description of crystal structures 5
1.5 The cubic close-packed (A1) structure of copper 7
1.6 The body-centred cubic (A2) structure of tungsten 8
1.7 The hexagonal (A3) structure of magnesium 8
1.8 The halite structure 9
1.9 The rutile structure 9
1.10 The fluorite structure 10
1.11 The structure of urea 11
1.12 The density of a crystal 12
Answers to introductory questions 13
Problems and exercises 14
2 Lattices, planes and directions 17
2.1 Two-dimensional lattices 17
2.2 Unit cells 20
2.3 The reciprocal lattice in two dimensions 20
2.4 Three-dimensional lattices 23
2.5 Alternative unit cells 25
2.6 The reciprocal lattice in three dimensions 26
2.7 Lattice planes and Miller indices 29
2.8 Hexagonal lattices and Miller-Bravais indices 31
2.9 Miller indices and planes in crystals 32
2.10 Directions 33
2.11 Lattice geometry 35
Answers to introductory questions 36
Problems and exercises 38
3 Two-dimensional patterns and tiling 43
3.1 The symmetry of an isolated shape: point symmetry 43
3.2 Rotation symmetry of a plane lattice 45
3.3 The symmetry of the plane lattices 46
3.4 The ten plane crystallographic point symmetry groups 48
3.5 The symmetry of patterns: the 17 plane groups 50
3.6 Two-dimensional ‘crystal structures’ 55
3.7 General and special positions 57
3.8 Tesselations 59
Answers to introductory questions 61
Problems and exercises 62
4 Symmetry in three dimensions 67
4.1 The symmetry of an object: point symmetry 67
4.2 Axes of inversion: rotoinversion 69
4.3 Axes of inversion: rotoreflection 72
4.4 The Hermann-Mauguin symbols for point groups 73
4.5 The symmetry of the Bravais lattices 74
4.6 The crystallographic point groups 76
4.7 Point groups and physical properties 79
4.8 Dielectric properties 80
4.9 Refractive index 83
4.10 Optical activity 84
4.11 Chiral molecules 85
4.12 Second harmonic generation 86
4.13 Magnetic point groups and colour symmetry 87
Answers to introductory questions 88
Problems and exercises 89
5 Building crystal structures from lattices and space groups 93
5.1 Symmetry of three-dimensional patterns: space groups 93
5.2 The crystallographic space groups 94
5.3 Space group symmetry symbols 96
5.4 The graphical representation of the space groups 98
5.5 Building a structure from a space group 101
5.6 The structure of diopside, CaMgSi2O6 103
5.7 The structure of alanine, C3H7NO2 105
Answers to introductory questions 109
Problems and exercises 109
6 Diffraction and crystal structures 113
6.1 The position of diffracted beams: Bragg’s law 114
6.2 The geometry of the diffraction pattern 115
viii CONTENTS
6.3 Particle size 119
6.4 The intensities of diffracted beams 121
6.5 The atomic scattering factor 122
6.6 The structure factor 123
6.7 Structure factors and intensities 125
6.8 Numerical evaluation of structure factors 126
6.9 Symmetry and reflection intensities 128
6.10 The temperature factor 130
6.11 Powder X-ray diffraction 132
6.12 Electron microscopy and structure images 135
6.13 Structure determination using X-ray diffraction 140
6.14 Neutron diffraction 142
6.15 Protein crystallography 142
6.16 Solving the phase problem 144
6.17 Photonic crystals 149
Answers to introductory questions 151
Problems and exercises 152
7 The depiction of crystal structures 155
7.1 The size of atoms 155
7.2 Sphere packing 156
7.3 Metallic radii 159
7.4 Ionic radii 160
7.5 Covalent radii 162
7.6 Van der Waals radii 163
7.7 Ionic structures and structure building rules 163
7.8 The bond valence model 164
7.9 Structures in terms of non-metal (anion) packing 166
7.10 Structures in terms of metal (cation) packing 168
7.11 Cation-centred polyhedral representations of crystals 169
7.12 Anion-centred polyhedral representations of crystals 171
7.13 Structures as nets 174
7.14 The depiction of organic structures 175
7.15 The representation of protein structures 177
Answers to introductory questions 181
Problems and exercises 182
8 Defects, modulated structures and quasicrystals 187
8.1 Defects and occupancy factors 187
8.2 Defects and unit cell parameters 189
8.3 Defects and density 190
8.4 Modular structures 191
CONTENTS ix
8.5 Polytypes 194
8.6 Crystallographic shear phases 196
8.7 Planar intergrowths and polysomes 200
8.8 Incommensurately modulated structures 202
8.9 Quasicrystals 208
Answers to introductory questions 210
Problems and exercises 211
Appendices 215
Appendix 1 Vector addition and subtraction 215
Appendix 2 Data for some inorganic crystal structures 217
Appendix 3 Schoenflies symbols 221
Appendix 4 The 230 space groups 223
Appendix 5 Complex numbers 227
Appendix 6 Complex amplitudes 229
Answers to problems and exercises 231
Bibliography 239
Formula index 245
Subject index 249
x CONTENTS

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