An Introduction to X-ray Crystallography, Second Edition

0521423597......Page 1
An introduction to X-ray crystallography......Page 4
Contents......Page 8
Preface to the First Edition......Page 11
Preface to the Second Edition......Page 13
1.2 The external symmetry of crystals......Page 14
1.3 The seven crystal systems......Page 20
1.4 The thirty-two crystal classes......Page 22
1.5 The unit cell......Page 25
1.6 Miller indices......Page 28
1.7 Space lattices......Page 29
1.8 Symmetry elements......Page 33
1.9 Space groups......Page 36
1.10 Space group and crystal class......Page 43
Problems to Chapter 1......Page 44
2.1 A general description of the scattering process......Page 45
2.2 Scattering from a pair of points......Page 47
2.3 Scattering from a general distribution of point scatterers......Page 49
2.4 Thomson scattering......Page 50
2.5 Compton scattering......Page 55
2.6 The scattering of X-rays by atoms......Page 56
Problems to Chapter 2......Page 61
3.1 Diffraction from a one-dimensional array of atoms......Page 63
3.2 Diffraction from a two-dimensional array of atoms......Page 69
3.3 Diffraction from a three-dimensional array of atoms......Page 70
3.4 The reciprocal lattice......Page 72
3.5 Diffraction from a crystal - the structure factor......Page 77
3.6 Bragg's law......Page 80
3.7 The structure factor in terms of indices of reflection......Page 85
Problems to Chapter 3......Page 87
4.1 The Fourier series......Page 89
4.2 Numerical application of Fourier series......Page 92
4.4 The Fourier transform......Page 98
3 y^^......Page 104
o......Page 106
4.8 The electron-density equation......Page 112
(/c,......Page 117
= 0, I x | >......Page 119
5.1 The conditions for diffraction to occur......Page 121
5.2 The powder camera......Page 125
5.3 The oscillation camera......Page 131
5.4 The Weissenberg camera......Page 138
5.5 The precession camera......Page 143
5.6 The photographic measurement of intensities......Page 148
5.7 Diffractometers......Page 153
5.8 X-ray sources......Page 156
5.9 Image-plate systems......Page 163
5.10 The modern Laue method......Page 164
Problems to Chapter 5......Page 167
6.1 Diffraction from a rotating crystal......Page 169
6.2 Absorption of X-rays......Page 175
6.3 Primary extinction......Page 182
6.4 Secondary extinction......Page 186
6.5 The temperature factor......Page 188
6.6 Anomalous scattering......Page 192
Problems to Chapter 6......Page 201
7.1 Tests for the lack of a centre of symmetry......Page 203
7.2 The optical properties of crystals......Page 209
7.3 The symmetry of X-ray photographs......Page 221
7.4 Information from systematic absences......Page 223
7.5 Intensity statistics......Page 228
7.6 Detection of mirror planes and diad axes......Page 240
Problems to Chapter 7......Page 242
8.1 Trial-and-error methods......Page 244
8.2 The Patterson function......Page 246
8.3 The heavy-atom method......Page 262
8.4 Isomorphous replacement......Page 268
8.5 The application of anomalous scattering......Page 280
8.6 Inequality relationships......Page 287
8.7 Sign relationships......Page 295
8.8 General phase relationships......Page 303
8.9 A general survey of methods......Page 310
Problems to Chapter 8......Page 311
9.1 The determination of unit-cell parameters......Page 314
9.2 The scaling of observed data......Page 320
9.3 Fourier refinement......Page 322
9.4 Least-squares refinement......Page 330
9.5 The parameter-shift method......Page 333
Problems to Chapter 9......Page 335
Physical constants and tables......Page 338
Appendices......Page 340
Solutions to Problems......Page 380
References......Page 408
Bibliography......Page 410
Index......Page 412