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Full Record Details
Persistent URL
http://purl.org/net/epubs/work/44250
Record Status
Checked
Record Id
44250
Title
Rietveld refinement of Ba-5(AsO4)(3)Cl from high-resolution synchrotron data
Contributors
AMT Bell (STFC Daresbury Lab.)
,
CMB Henderson (Manchester U.)
,
RF Wendlandt (Colorado School of Mines)
,
WJ Harrison (Colorado School of Mines)
Abstract
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.
Organisation
SRS
,
9.1
,
STFC
Keywords
Materials
,
Chemistry
,
Natural environment
,
Synchrotron Radiation
,
Rietveld refinement
,
As Apatites
Funding Information
Related Research Object(s):
Licence Information:
Language
English (EN)
Type
Details
URI(s)
Local file(s)
Year
Journal Article
Acta Crystallogr E
64 (2008): i63-i64.
doi:10.1107/S1600536808026901
wm2188.pdf
2008
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