Abstract
The techniques for solving and refining crystal structures from powder diffraction data have advanced dramatically during the last 5 years as a result of developments in both computational and instrumental methods. Synchrotron X-ray sources, with their high brightness, excellent vertical collimation, and wavelength tunability, offer unique advantages for such studies. In particular, the extraordinary resolution that can now be obtained on a synchrotron X-ray diffractometer facilitates both the unit cell determination by auto-indexing and the pattern decomposition into integrated intensities. These stages of structure determination are illustrated by means of some recent examples. The extent to which the excellent quality of synchrotron powder data offers enhanced precision in structure refinement, compared with conventional data, is considered, and the scope for using anomalous scattering techniques in structure determination and refinement is also examined.
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