Rietveld refinement of Ba5(AsO4)3Cl from high-resolution synchrotron data

BELL, Anthony M. T,, HENDERSON, C. Michael B,, WENDLANDT, Richard F. and HARRISON, Wendy J. (2008). Rietveld refinement of Ba5(AsO4)3Cl from high-resolution synchrotron data. Acta Crystallographica Section E, E64 (9), i63-i64.

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Link to published version:: 10.1107/S1600536808026901

Abstract

The apatite-type compound Ba5(AsO4)3Cl, pentabarium tris[arsenate(V)] chloride, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite (Pb5(AsO4)3Cl) with BaCO3 as a by-product. The results of the Rietveld refinement, based on high resolution synchrotron X-ray powder diffraction data, show that the title compound crystallizes in the same structure as other halogenoapatites with general formula A5(YO4)3X (A = divalent cation, Y = pentavalent cation, X = Cl, Br) in space group P63/m. The structure consists of isolated tetrahedral AsO4 3- anions (m symmetry), separated by two crystallographically independent Ba2+ cations that are located on mirror planes and threefold rotation axes, respectively. The Cl- anions are at the 2b sites (3 symmetry) and are located in the channels of the structure.

Item Type: Article
Identification Number: 10.1107/S1600536808026901
Depositing User: Anthony Bell
Date Deposited: 28 Jul 2016 13:09
Last Modified: 19 Oct 2016 22:01
URI: http://shura.shu.ac.uk/id/eprint/12759

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