Table of Contents

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.

About the Author

Gregory S. Girolami is Professor of Chemistry and Chemistry Department Head at the University of Illinois at Urbana-Champaign. He received B.S. degrees both in chemistry and in physics from the University of Texas at Austin, and his Ph.D. degree in 1981 from the University of California at Berkeley. Thereafter, he was a NATO postdoctoral fellow at Imperial College of Sciences and Technology in London, England, with Nobel Laureate Sir Geoffrey Wilkinson. He joined the faculty of the University of Illinois at Urbana-Champaign in 1983. His research emphasizes the synthesis of new inorganic and organometallic compounds and materials, investigations of their reactivity, and measurements and interpretations of their physical properties. As part of this work, he has extensively used X-ray crystallography, and has taught a course on this topic at the University of Illinois since 1997.

Reviews

"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

"X-Ray Crystallography is a textbook with a wide wingspan...perhaps one of the best textbooks addressing a readership of chemists published in recent years."--Acta Cryst. (2016)