Ab-initio powder structure determination of CaBa2(HPO4)2(H2PO4)2:: a new phosphate with a M(TΦO4)4 chain structure

被引：0

作者：

Toumi, M ^{[1
]}

Chabchoub, S

Smiri-Dogguy, L

Laligant, Y

机构：

[1] Fac Sci Bizerte, Lab Chim Inorgan & Struct, Zarzouna 7021, Tunisia

[2] Univ Maine, Fac Sci, Lab Fluorures, UPRESA 6010, F-72085 Le Mans 9, France

来源：

EUROPEAN JOURNAL OF SOLID STATE AND INORGANIC CHEMISTRY | 1997年 / 34卷 / 11期

关键词：

D O I：

暂无

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The crystal structure of CaBa2(HPO4)(2)(H2PO4)(2) has been solved ab-initio from X-ray powder data. CaBa2(HPO4)(2)(H2PO4)(2) crystallizes in the monoclinic system (space group P2(1)/a - No 14, Z = 2) with a = 12.3872(2) Angstrom, b = 10.2046(1) Angstrom, c = 5.4946(1) Angstrom, beta = 100.767(1)degrees. The X-ray powder diffraction pattern data were refined by the Rietveld profile technique to R-Bragg = 0.06. The crystal structure of CaBa2(HPO4)(2)(H2PO4)(2) is built up from [HPO4] and [H2PO4] tetrahedra, [CaO6] octahedra and [BaO9] polyhedra linked tridimensionally by corners and/or edges. The structure consists of infinite chains Ca[H2P(2)O-4](2)[HP(1)O-4](2) running parallel to the c axis. These chains are linked together by 9-coordinated Ba2+ ions.

引用

页码：1249 / 1257

页数：9

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