Laboratory and Synchrotron Powder Diffraction

Abstract

AbstractThis chapter focuses on high‐resolution powder diffraction, which is a prerequisite for structure determination and refinement from powder diffraction data. It starts with a brief history and basics of (powder) diffraction, followed by a condensed description of the typical geometry of state‐of‐the‐art high‐resolution powder diffractometers in the laboratory and at synchrotrons. In correspondence to its importance, the chapter explains the Rietveld method in more detail, in particular mentioning alternative descriptions of crystal structures using symmetry modes, which are particularly suitable for the description of structural phase transitions. Among the many existing methods for structure determination from powder diffraction data, two established methods, one working in real space, the other in reciprocal space are exemplarily described. Finally, the chapter presents four research projects conducted by the authors that have been selected as case studies, as they allow tracing the process of powder diffraction data evaluation for typical problems in modern solid‐state chemistry.