X-Ray Crystallography 

Gregory S. Girolami
University of Illinois at Urbana-Champaign

TABLE OF CONTENTS

Foreword and Acknowledgments

Part 1: Symmetry and Space Groups

Chapter 1 Introduction
Chapter 2 Point Symmetry Operations
Chapter 3 Point Groups
Chapter 4 Periodicity
Chapter 5 Travel Symmetry Operations
Chapter 6 One- and Two-Dimensional Lattices
Chapter 7 Three-Dimensional Lattices
Chapter 8 Two-Dimensional Plane Groups
Chapter 9 Equivalent Positions
Chapter 10 Three-Dimensional Space Groups, Part 1
Chapter 11 Three-Dimensional Space Groups, Part 2
Chapter 12 Three-Dimensional Space Groups, Part 3

Part 2: X-rays and Diffraction

Chapter 13 Generation of X-rays
Chapter 14 Diffractometers and Data Collection
Chapter 15 Scattering from a Single Electron
Chapter 16 Scattering from Atoms
Chapter 17 Diffraction from One-Dimensional Arrays
Chapter 18 Diffraction from Two- and Three-Dimensional Arrays
Chapter 19 Reciprocal Space and Miller Indices
Chapter 20 Bragg’s Law, Scattering Planes, and d-Spacings
Chapter 21 The Limiting Sphere, Resolution, and Indexing
Chapter 22 Reflection Intensities
Chapter 23 Structure Factors and Argand Diagrams
Chapter 24 Phases, Friedel’s Law, and Laue classes
Chapter 25 Centrosymmetry and Chirality
Chapter 26 Reflection Conditions
Chapter 27 Determining the Space Group of a Crystal

Part 3: Solving and Refining Crystal Structures

Chapter 28 Fourier Transforms in Crystallography
Chapter 29 Trial and Error Methods
Chapter 30 Charge Flipping
Chapter 31 The Patterson Method
Chapter 32 The Heavy Atom Approximation
Chapter 33 Protein Crystal Structures
Chapter 34 Direct Methods, Part 1
Chapter 35 Direct Methods, Part 2
Chapter 36 Refining Crystal Structures
Chapter 37 Occupancy, Displacement Parameters, and Disorder
Chapter 38 Twinning
Chapter 39 Examples of Twinned Crystals
Chapter 40 Mistakes and Pitfalls
Chapter 41 Powder X-ray Diffraction
Chapter 42 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