Rietveld refinement of the crystal structures of Rb2X Si5O12 (X = Ni, Mn)

BELL, Anthony M.T. and HENDERSON, C. Michael B. (2016). Rietveld refinement of the crystal structures of Rb2X Si5O12 (X = Ni, Mn). Acta Crystallographica Section E, E72 (2), 249-252.

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The synthetic leucite silicate framework mineral analogues Rb2XSi5O12 {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 K[alpha] X-rays, show that the title compounds crystallize in the space group Pbca and adopt the cation-ordered structure of Cs2CdSi5O12 and other leucites. The structures consist of tetrahedral SiO4 and XO4 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.

Item Type: Article
Identification Number: 10.1107/S2056989016001390
Related URLs:
Depositing User: Anthony Bell
Date Deposited: 27 Jul 2016 14:52
Last Modified: 20 Oct 2016 04:23
URI: http://shura.shu.ac.uk/id/eprint/12699

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