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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2023
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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 |
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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 |
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