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

被引：6

作者：

Bell, Anthony M. T. ^{[1
]}

Henderson, C. Michael B. ^{[2
]}

Wendlandt, Richard F. ^{[3
]}

Harrison, Wendy J. ^{[3
]}

机构：

[1] STFC Daresbury Lab, Synchrotron Radiat Source, Warrington WA4 4AD, Cheshire, England

[2] Univ Manchester, Sch Earth Atmospher & Environm Sci, Manchester M13 9PL, Lancs, England

[3] Colorado Sch Mines, Dept Geol & Geol Engn, Golden, CO 80401 USA

来源：

ACTA CRYSTALLOGRAPHICA SECTION E-STRUCTURE REPORTS ONLINE | 2008年 / 64卷

关键词：

D O I：

10.1107/S1600536808026901

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

The apatite-type compound Ba-5(AsO4)(3)Cl, pentabarium tris[arsenate(V)] chloride, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite (Pb-5(AsO4)(3)Cl) 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 A(5)(YO4)(3)X ( A = divalent cation, Y = pentavalent cation, X = Cl, Br) in space group P6(3)/m. The structure consists of isolated tetrahedral AsO43- 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) over bar symmetry) and are located in the channels of the structure.

引用

页码：I63 / U63

页数：9

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