Rietveld refinement of Ba 5 (AsO 4 ) 3 Cl from high-resolution synchrotron data

The apatite-type compound Ba 5 (AsO 4 ) 3 Cl, pentabarium tris[arsenate(V)] chloride, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite (Pb 5 (AsO 4 ) 3 Cl) with BaCO 3 as a by-product. The results of the Rietveld refinement, based on high resolution synchr...

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Bibliographic Details
Published in:Acta crystallographica. Section E, Structure reports online Structure reports online, 2008-09, Vol.64 (9), p.i63-i64
Main Authors: Bell, Anthony M. T., Henderson, C. Michael B., Wendlandt, Richard F., Harrison, Wendy J.
Format: Article
Language:English
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Summary:The apatite-type compound Ba 5 (AsO 4 ) 3 Cl, pentabarium tris[arsenate(V)] chloride, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite (Pb 5 (AsO 4 ) 3 Cl) with BaCO 3 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 A 5 ( Y O 4 ) 3 X ( A = divalent cation, Y = pentavalent cation, X = Cl, Br) in space group P 6 3 / m . The structure consists of isolated tetrahedral AsO 4 3− anions ( m symmetry), separated by two crystallographically independent Ba 2+ cations that are located on mirror planes and threefold rotation axes, respectively. The Cl − anions are at the 2 b sites (\overline{3} symmetry) and are located in the channels of the structure.
ISSN:1600-5368
1600-5368
DOI:10.1107/S1600536808026901