Circumventing a challenging aspect of crystal structure determination from powder diffraction data

Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2022. Circumventing a challenging aspect of crystal structure determination from powder diffraction data. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials 78 (2) , pp. 96-99. 10.1107/S2052520622003717

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Abstract

Schmidt and co-workers [Acta Cryst. (2022), B78, 195–213], report a strategy for structure determination from powder XRD data in which unit-cell determination and structure solution are combined within a single process, rather than handling them as sequential stages on the structure determination pathway. This strategy offers the prospect to achieve successful structure determination in cases for which conventional approaches for indexing powder XRD data prove to be challenging.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Publisher:	International Union of Crystallography
ISSN:	2052-5206
Date of First Compliant Deposit:	12 April 2022
Date of Acceptance:	6 April 2022
Last Modified:	24 May 2023 17:10
URI:	https://orca.cardiff.ac.uk/id/eprint/149160

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