Cargando…

Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 3. Pseudosymmetry

A pseudosymmetric description of the crystal lattice derived from a single wide-angle Kikuchi pattern can have several causes. The small size (<15%) of the sector covered by an electron backscatter diffraction pattern, the limited precision of the projection centre position and the Kikuchi band d...

Descripción completa

Detalles Bibliográficos
Autores principales: Nolze, Gert, Tokarski, Tomasz, Rychłowski, Łukasz
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10077860/
https://www.ncbi.nlm.nih.gov/pubmed/37032972
http://dx.doi.org/10.1107/S1600576723000845
_version_ 1785020396678938624
author Nolze, Gert
Tokarski, Tomasz
Rychłowski, Łukasz
author_facet Nolze, Gert
Tokarski, Tomasz
Rychłowski, Łukasz
author_sort Nolze, Gert
collection PubMed
description A pseudosymmetric description of the crystal lattice derived from a single wide-angle Kikuchi pattern can have several causes. The small size (<15%) of the sector covered by an electron backscatter diffraction pattern, the limited precision of the projection centre position and the Kikuchi band definition are crucial. Inherent pseudosymmetries of the crystal lattice and/or structure also pose a challenge in the analysis of Kikuchi patterns. To eliminate experimental errors as much as possible, simulated Kikuchi patterns of 350 phases have been analysed using the software CALM [Nolze et al. (2021). J. Appl. Cryst. 54, 1012–1022] in order to estimate the frequency of and reasons for pseudosymmetric crystal lattice descriptions. Misinterpretations occur in particular when the atomic scattering factors of non-equivalent positions are too similar and reciprocal-lattice points are systematically missing. As an example, a pseudosymmetry prediction depending on the elements involved is discussed for binary AB compounds with B1 and B2 structure types. However, since this is impossible for more complicated phases, this approach cannot be directly applied to compounds of arbitrary composition and structure.
format Online
Article
Text
id pubmed-10077860
institution National Center for Biotechnology Information
language English
publishDate 2023
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-100778602023-04-07 Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 3. Pseudosymmetry Nolze, Gert Tokarski, Tomasz Rychłowski, Łukasz J Appl Crystallogr Research Papers A pseudosymmetric description of the crystal lattice derived from a single wide-angle Kikuchi pattern can have several causes. The small size (<15%) of the sector covered by an electron backscatter diffraction pattern, the limited precision of the projection centre position and the Kikuchi band definition are crucial. Inherent pseudosymmetries of the crystal lattice and/or structure also pose a challenge in the analysis of Kikuchi patterns. To eliminate experimental errors as much as possible, simulated Kikuchi patterns of 350 phases have been analysed using the software CALM [Nolze et al. (2021). J. Appl. Cryst. 54, 1012–1022] in order to estimate the frequency of and reasons for pseudosymmetric crystal lattice descriptions. Misinterpretations occur in particular when the atomic scattering factors of non-equivalent positions are too similar and reciprocal-lattice points are systematically missing. As an example, a pseudosymmetry prediction depending on the elements involved is discussed for binary AB compounds with B1 and B2 structure types. However, since this is impossible for more complicated phases, this approach cannot be directly applied to compounds of arbitrary composition and structure. International Union of Crystallography 2023-02-24 /pmc/articles/PMC10077860/ /pubmed/37032972 http://dx.doi.org/10.1107/S1600576723000845 Text en © Gert Nolze et al. 2023 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 Research Papers
Nolze, Gert
Tokarski, Tomasz
Rychłowski, Łukasz
Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 3. Pseudosymmetry
title Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 3. Pseudosymmetry
title_full Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 3. Pseudosymmetry
title_fullStr Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 3. Pseudosymmetry
title_full_unstemmed Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 3. Pseudosymmetry
title_short Use of electron backscatter diffraction patterns to determine the crystal lattice. Part 3. Pseudosymmetry
title_sort use of electron backscatter diffraction patterns to determine the crystal lattice. part 3. pseudosymmetry
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10077860/
https://www.ncbi.nlm.nih.gov/pubmed/37032972
http://dx.doi.org/10.1107/S1600576723000845
work_keys_str_mv AT nolzegert useofelectronbackscatterdiffractionpatternstodeterminethecrystallatticepart3pseudosymmetry
AT tokarskitomasz useofelectronbackscatterdiffractionpatternstodeterminethecrystallatticepart3pseudosymmetry
AT rychłowskiłukasz useofelectronbackscatterdiffractionpatternstodeterminethecrystallatticepart3pseudosymmetry