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...

Descripción completa

Detalles Bibliográficos
Autor principal: Harris, Kenneth D. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Scientific Commentaries
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
_version_ 1784686201610960896
author Harris, Kenneth D. M.
author_facet Harris, Kenneth D. M.
author_sort Harris, Kenneth D. M.
collection PubMed
description 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.
format Online
Article
Text
id pubmed-9004017
institution National Center for Biotechnology Information
language English
publishDate 2022
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-90040172022-04-28 Circumventing a challenging aspect of crystal structure determination from powder diffraction data Harris, Kenneth D. M. Acta Crystallogr B Struct Sci Cryst Eng Mater Scientific Commentaries 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. International Union of Crystallography 2022-04-01 /pmc/articles/PMC9004017/ /pubmed/35411848 http://dx.doi.org/10.1107/S2052520622003717 Text en © K. D. M. Harris 2022 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Scientific Commentaries
Harris, Kenneth D. M.
Circumventing a challenging aspect of crystal structure determination from powder diffraction data
title Circumventing a challenging aspect of crystal structure determination from powder diffraction data
title_full Circumventing a challenging aspect of crystal structure determination from powder diffraction data
title_fullStr Circumventing a challenging aspect of crystal structure determination from powder diffraction data
title_full_unstemmed Circumventing a challenging aspect of crystal structure determination from powder diffraction data
title_short Circumventing a challenging aspect of crystal structure determination from powder diffraction data
title_sort circumventing a challenging aspect of crystal structure determination from powder diffraction data
topic Scientific Commentaries
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9004017/
https://www.ncbi.nlm.nih.gov/pubmed/35411848
http://dx.doi.org/10.1107/S2052520622003717
work_keys_str_mv AT harriskennethdm circumventingachallengingaspectofcrystalstructuredeterminationfrompowderdiffractiondata

Ejemplares similares