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.
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.
"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)
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