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Rietveld refinement of Sr(5)(AsO(4))(3)Cl from high-resolution synchrotron data
Abstract:
The apatite-type compound, penta-strontium tris-[arsenate(V)] chloride, Sr(5)(AsO(4))(3)Cl, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite [Pb(5)(AsO(4))(3)Cl] with SrCO(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)(YO(4))(3)X (A = divalent cation, Y = penta-valent cation, and X = F, Cl or Br) in the space group P6(3)/m. The structure consists of isolated tetra-hedral AsO(4) (3-) anions (the As atom and two O atoms have m symmetry), separated by two crystallographically independent Sr(2+) cations that are located on mirror planes and threefold rotation axes, respectively. One Sr atom is coordinated by nine O atoms and the other by six. The chloride anions (site symmetry ) are at the 2a sites and are located in the channels of the structure.
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