Cargando…

Rietveld refinement of the crystal structures of Rb(2) XSi(5)O(12) (X = Ni, Mn)

The synthetic leucite silicate framework mineral analogues Rb(2) XSi(5)O(12) {X = Ni [dirubidium nickel(II) penta­silicate] and Mn [dirubidium manganese(II) penta­silicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffract...

Descripción completa

Detalles Bibliográficos
Autores principales: Bell, Anthony M. T., Henderson, C. Michael B.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770953/
https://www.ncbi.nlm.nih.gov/pubmed/26958399
http://dx.doi.org/10.1107/S2056989016001390
_version_ 1782418345832742912
author Bell, Anthony M. T.
Henderson, C. Michael B.
author_facet Bell, Anthony M. T.
Henderson, C. Michael B.
author_sort Bell, Anthony M. T.
collection PubMed
description The synthetic leucite silicate framework mineral analogues Rb(2) XSi(5)O(12) {X = Ni [dirubidium nickel(II) penta­silicate] and Mn [dirubidium manganese(II) penta­silicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu Kα X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs(2)CdSi(5)O(12) and other leucites. The structures consist of tetra­hedral SiO(4) and XO(4) units sharing corners to form a partially substituted silicate framework. Extraframework Rb(+) cations sit in channels in the framework. All atoms occupy the 8c general position for this space group. In these refined structures, silicon and X atoms are ordered onto separate tetra­hedrally coordinated sites (T-sites). However, the Ni displacement parameter and the Ni—O bond lengths suggest that for the X = Ni sample, there may actually be some T-site cation disorder.
format Online
Article
Text
id pubmed-4770953
institution National Center for Biotechnology Information
language English
publishDate 2016
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-47709532016-03-08 Rietveld refinement of the crystal structures of Rb(2) XSi(5)O(12) (X = Ni, Mn) Bell, Anthony M. T. Henderson, C. Michael B. Acta Crystallogr E Crystallogr Commun Research Communications The synthetic leucite silicate framework mineral analogues Rb(2) XSi(5)O(12) {X = Ni [dirubidium nickel(II) penta­silicate] and Mn [dirubidium manganese(II) penta­silicate]} have been prepared by high-temperature solid-state synthesis. The results of Rietveld refinements, using X-ray powder diffraction data collected using Cu Kα X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs(2)CdSi(5)O(12) and other leucites. The structures consist of tetra­hedral SiO(4) and XO(4) units sharing corners to form a partially substituted silicate framework. Extraframework Rb(+) cations sit in channels in the framework. All atoms occupy the 8c general position for this space group. In these refined structures, silicon and X atoms are ordered onto separate tetra­hedrally coordinated sites (T-sites). However, the Ni displacement parameter and the Ni—O bond lengths suggest that for the X = Ni sample, there may actually be some T-site cation disorder. International Union of Crystallography 2016-01-27 /pmc/articles/PMC4770953/ /pubmed/26958399 http://dx.doi.org/10.1107/S2056989016001390 Text en © Bell and Henderson 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Research Communications
Bell, Anthony M. T.
Henderson, C. Michael B.
Rietveld refinement of the crystal structures of Rb(2) XSi(5)O(12) (X = Ni, Mn)
title Rietveld refinement of the crystal structures of Rb(2) XSi(5)O(12) (X = Ni, Mn)
title_full Rietveld refinement of the crystal structures of Rb(2) XSi(5)O(12) (X = Ni, Mn)
title_fullStr Rietveld refinement of the crystal structures of Rb(2) XSi(5)O(12) (X = Ni, Mn)
title_full_unstemmed Rietveld refinement of the crystal structures of Rb(2) XSi(5)O(12) (X = Ni, Mn)
title_short Rietveld refinement of the crystal structures of Rb(2) XSi(5)O(12) (X = Ni, Mn)
title_sort rietveld refinement of the crystal structures of rb(2) xsi(5)o(12) (x = ni, mn)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770953/
https://www.ncbi.nlm.nih.gov/pubmed/26958399
http://dx.doi.org/10.1107/S2056989016001390
work_keys_str_mv AT bellanthonymt rietveldrefinementofthecrystalstructuresofrb2xsi5o12xnimn
AT hendersoncmichaelb rietveldrefinementofthecrystalstructuresofrb2xsi5o12xnimn