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

Anthony M T Bell; C. Michael B Henderson; Richard F. Wendlandt; Wendy J. Harrison

doi:10.1107/s1600536808026901

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

Anthony M T Bell, C. Michael B Henderson, Richard F. Wendlandt, Wendy J. Harrison

Research output: Contribution to journal › Article › peer-review

Abstract

The apatite-type compound Ba5(AsO4)3Cl, penta-barium tris-[arsenate(V)] chloride, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite (Pb5(AsO4)3Cl) 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 = penta-valent cation, X = Cl, Br) in space group P63/m. The structure consists of isolated tetra-hedral AsO4 3- 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 ( symmetry) and are located in the channels of the structure.

Original language	English
Pages (from-to)	63-64
Number of pages	1
Journal	Acta Crystallographica Section E: Structure Reports Online
Volume	64
Issue number	9
DOIs	https://doi.org/10.1107/s1600536808026901
Publication status	Published - 2008

Keywords

CRYSTAL-CHEMISTRY
APATITE
CHLORAPATITE

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@article{d48a453914b44ed58be72cabfb1544cc,

title = "Rietveld refinement of Ba5(AsO4)3Cl from high-resolution synchrotron data",

abstract = "The apatite-type compound Ba5(AsO4)3Cl, penta-barium tris-[arsenate(V)] chloride, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite (Pb5(AsO4)3Cl) 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 = penta-valent cation, X = Cl, Br) in space group P63/m. The structure consists of isolated tetra-hedral AsO4 3- 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 ( symmetry) and are located in the channels of the structure.",

keywords = "CRYSTAL-CHEMISTRY, APATITE, CHLORAPATITE",

author = "Bell, {Anthony M T} and Henderson, {C. Michael B} and Wendlandt, {Richard F.} and Harrison, {Wendy J.}",

note = "Bell, Anthony M. T. Henderson, C. Michael B. Wendlandt, Richard F. Harrison, Wendy J. 22 WILEY-BLACKWELL PUBLISHING, INC MALDEN Part 9 343DH",

year = "2008",

doi = "10.1107/s1600536808026901",

language = "English",

volume = "64",

pages = "63--64",

journal = "Acta Crystallographica Section E: Structure Reports Online",

issn = "1600-5368",

publisher = "International Union of Crystallography",

number = "9",

}

TY - JOUR

T1 - Rietveld refinement of Ba5(AsO4)3Cl from high-resolution synchrotron data

AU - Bell, Anthony M T

AU - Henderson, C. Michael B

AU - Wendlandt, Richard F.

AU - Harrison, Wendy J.

N1 - Bell, Anthony M. T. Henderson, C. Michael B. Wendlandt, Richard F. Harrison, Wendy J. 22 WILEY-BLACKWELL PUBLISHING, INC MALDEN Part 9 343DH

PY - 2008

Y1 - 2008

N2 - The apatite-type compound Ba5(AsO4)3Cl, penta-barium tris-[arsenate(V)] chloride, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite (Pb5(AsO4)3Cl) 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 = penta-valent cation, X = Cl, Br) in space group P63/m. The structure consists of isolated tetra-hedral AsO4 3- 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 ( symmetry) and are located in the channels of the structure.

AB - The apatite-type compound Ba5(AsO4)3Cl, penta-barium tris-[arsenate(V)] chloride, has been synthesized by ion exchange at high temperature from a synthetic sample of mimetite (Pb5(AsO4)3Cl) 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 = penta-valent cation, X = Cl, Br) in space group P63/m. The structure consists of isolated tetra-hedral AsO4 3- 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 ( symmetry) and are located in the channels of the structure.

KW - CRYSTAL-CHEMISTRY

KW - APATITE

KW - CHLORAPATITE

U2 - 10.1107/s1600536808026901

DO - 10.1107/s1600536808026901

M3 - Article

SN - 1600-5368

VL - 64

SP - 63

EP - 64

JO - Acta Crystallographica Section E: Structure Reports Online

JF - Acta Crystallographica Section E: Structure Reports Online

IS - 9

ER -

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

Abstract

Keywords

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