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

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 p...

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Detalles Bibliográficos
Autor principal: Harris, Kenneth D. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9004017/
https://www.ncbi.nlm.nih.gov/pubmed/35411848
http://dx.doi.org/10.1107/S2052520622003717
Descripción
Sumario: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.