Powder diffraction

The wide-ranging scope and the routine application of single-crystal X-ray diffraction (XRD) in the modern day have arisen through advances in instrumentation and the development of powerful strategies for data analysis. This chapter provides an overview of the current state of the art in the application of powder XRD, focusing in particular on contemporary opportunities for determining crystal structures directly from powder XRD data. Fundamental aspects of the techniques used to carry out crystal structure determination from powder XRD data are described, and several illustrative examples of the application of these techniques in determining the structural properties of materials are highlighted. In addition, the chapter discusses the wide-ranging utility of powder XRD in other aspects of the characterisation of solid materials, from routine applications in the identification (‘fingerprinting’) of crystalline phases to more advanced applications. Complementary opportunities offered by powder neutron diffraction are also discussed