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Lookup NU author(s): Professor William Clegg
This work is licensed under a Creative Commons Attribution 4.0 International License (CC BY 4.0).
In the context of increasing hardware and software automation in the process of crystal structure determination by X-ray diffraction, and based on conference sessions presenting some of the experience of senior crystallographers for the benefit of younger colleagues, an outline is given here of some basic concepts and applications of symmetry in crystallography. Three specific examples of structure determinations are discussed, for which an understanding of these aspects of symmetry avoids mistakes that can readily be made by reliance on automatic procedures. Topics addressed include pseudo-symmetry, twinning, real and apparent disorder, chirality, and structure validation.
Author(s): Clegg W
Publication type: Article
Publication status: Published
Journal: Acta Crystallographica Section E: Crystallographic Communications
Year: 2019
Volume: 75
Issue: Part 12
Pages: 1812-1819
Print publication date: 01/12/2019
Online publication date: 08/11/2019
Acceptance date: 04/11/2019
Date deposited: 18/11/2019
ISSN (electronic): 2056-9890
Publisher: International Union of Crystallography
URL: https://doi.org/10.1107/S2056989019014907
DOI: 10.1107/S2056989019014907
Notes: An invited published version of a lecture given at the 32nd European Crystallographic Meeting in Vienna, August 2019
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