Laboratory X-ray powder diffraction

Abstract

This chapter describes the performance and limitations of laboratory-based X-ray diffraction instrumentation for solving crystal structures ab initio from powder data. Instrumental and sample-related factors that impact upon one's ability to resolve closely-spaced reflections are discussed, and recommendations for collecting the high-quality data required for structure determination are given. Examples are presented to illustrate different methods and to indicate the precision of the results obtained. The value of conventional X-ray powder diffraction data for structure solution is discussed.