Crystal structure analysis: a primer

Abstract

Crystal Structure Analysis, Third Edition, explains how and why the detailed three-dimensional architecture of molecules can be determined by an analysis of the diffraction patterns obtained when X-rays or neutrons are scattered by the atoms in single crystals. Part 1 covers the nature of the crystalline state, diffraction in general, and diffraction by crystals, and also looks briefly at experimental procedures. Part II examines the problem of converting the experimentally obtained data into a model of the atomic arrangement that scattered these beams. Part III discusses techniques for refining the approximate structure to the degree warranted by the experimental data. It also describes the many types of information that can be obtained by modern crystal structure analysis. The text is enhanced by numerous illustrations, a detailed glossary, and several appendices that cover mathematical details.