The open archive for STFC research publications

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
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