Description
PART I: SYMMETRY AND SPACE GROUPS .- Introduction.- Point Symmetry Operations.- Point Groups Periodicity.- Travel Symmetry Operations.- One and Two-Dimensional Lattices.- Three-Dimensional Lattices.- Two-Dimensional Plane Groups.- Equivalent Positions.- Three-Dimensional Space Groups, Part 1.- Three-Dimensional Space Groups, Part 2.- Three-Dimensional Space Groups, Part 3.- PART II: X-RAYS AND DIFFRACTION.- Generation of X-rays.- Diffractometers and Data Collection.- Scattering from a Single Electron.- Scattering from Atoms.- Diffraction from One-Dimensional Arrays Diffraction from Two and Three-Dimensional Arrays.- Reciprocal Space and Miller Indices.- Bragg’s Law, Scattering Planes, and d-Spacings.- The Limiting Sphere, Resolution, and Indexing.- Reflection Intensities.- Structure Factors and Argand Diagrams.- Phases, Friedel’s Law, and Laue classes.- Centrosymmetry and Chirality.- Reflection Conditions.- Determining the Space Group of a Crystal.- PART III: SOLVING AND REFINING CRYSTAL STRUCTURES .- Fourier Transforms in Crystallography.- Trial and Error Methods.- Charge Flipping.- The Patterson Method.- The Heavy Atom Approximation.- Protein Crystal Structures.- Direct Methods, Part 1.- Direct Methods, Part 2.- Refining Crystal Structures Occupancy, Displacement Parameters, and Disorder.- Twinning.- Examples of Twinned Crystals.- Mistakes and Pitfalls.- Powder X-ray Diffraction.- Electron and Neutron Diffraction.- Appendix A Vector Tutorial.- Appendix B The Ewald Sphere.- Appendix C Atomic Scattering Factors.- Appendix D The Patterson Function.- Appendix E Introduction to SHELX.- Appendix F In-class Demonstration of Diffraction.- Bibliography.- Index.
