X-Ray Crystallography

Featuring excellent illustrations and homework problems throughout, the book is intended both for advanced undergraduate and graduate students who are learning the subject for the first time, as well as for those who have practical experience but seek a text summarizing the theory of diffraction and X-ray crystallography.
X-Ray Crystallography is a well-balanced, thorough, and clearly written introduction to the most important and widely practiced technique to determine the arrangement of atoms in molecules and solids. Featuring excellent illustrations and homework problems throughout, the book is intended both for advanced undergraduate and graduate students who are learning the subject for the first time, as well as for those who have practical experience but seek a text summarizing the theory of diffraction and X-ray crystallography. It is organized into three parts: Part 1 deals with symmetry and space groups, Part 2 explains the physics of X rays and diffraction, and Part 3 examines the methods for solving and refining crystal structures. The discussion proceeds in a logical and clear fashion from the fundamentals through to advanced topics such as disorder, twinning, microfocus sources, low energy electron diffraction, charge flipping, protein crystallography, the maximum likelihood method of refinement, and powder, neutron, and electron diffraction. The author’s clear writing style and distinctive approach is well suited for chemists, biologists, materials scientists, physicists, and scientists from related disciplines. A detailed Instructor’s Manual is available for adopting professors.Preface and Acknowledgments 
SECTION 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. 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 
SECTION 2. X-rays and Diffraction
Chapter 13. Generation of X-rays 
Chapter 14. Diffractometers and Data Collection 
Chapter 15. Data Reduction 
Chapter 16. Scattering from a Single Electron 
Chapter 17. Scattering from Atoms 
Chapter 18. Diffraction from One-dimensional Arrays 
Chapter 19. Diffraction from Two- and Three-dimensional Arrays 
Chapter 20. Reciprocal Space and Reflection Indices 
Chapter 21. Bragg’s Law, Scattering Planes, and d-Spacings 
Chapter 22. The Limiting Sphere, Resolution, and Indexing 
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 
SECTION 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. Modeling the Electron Density 
Chapter 37. Refining Crystal Structures 
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. Complex Number Tutorial 
Appendix C. The Ewald Sphere 
Appendix D. Atomic Form Factors 
Appendix E. The Patterson Function 
Appendix F. In-class Demonstration of Diffraction"Girolami, an expert in the area, understands key issues of crystallography from the standpoint of a practicing chemist. He communicates in a crisp style. I found his presentation of the topic to be clear and interesting, and would use this text as part of a course in chemical crystallography for advanced undergrads and beginning grad students." --Professor Eric Schelter, University of Pennsylvania

"I wish to congratulate the author on an excellent book, this is something that has been sorely missed. I have used several books over the years, but this one has exactly the right level, and the exercises are very useful as well." --Jacob Overgaard, Aarhus University

"This is a very readable text, and generally very well written with good coverage and many excellent exercises. I particularly liked the chapters on symmetry and direct methods." --Dr. Marvin L. Hackert, The University of Texas at Austin

"This text is very comprehensive, giving history, the never-changing basics of symmetry and diffraction, but also modern insights into synchrotron techniques etc. The number of illustrations and examples is wonderful, and I very much appreciate that this book does not shy away from the vector math necessary to show the properties of scattering and reciprocal space!" --Cora Lind-Kovacs, University of Toledo