RbZrOAsO4:: a zirconium-containing analogue of potassium titanyl phosphate (KTiOPO4)

被引：11
作者：
Simpson, M [1 ]
Harrison, WTA [1 ]
机构：
[1] Univ Aberdeen, Dept Chem, Aberdeen AB24 3UE, Scotland
来源：
SOLID STATE SCIENCES | 2004年 / 6卷 / 09期
关键词：
crystal structure; zirconium; nonlinear optical materials;
D O I：
10.1016/j.solidstatesciences.2004.05.003
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
The synthesis and single crystal structure of RbZrOAsO4 are reported. This phase is the first fully characterised isostructure of potassium titanyl phosphate (KTP or KTiOPO4) to contain only zirconium on the octahedral cation sites. The ZrIO6 octahedron shows a displacement of Zr towards an octahedral edge, and the Zr2O(6) Octahedron is virtually undistorted. The corresponding TiO6 groups in titanium-containing KTP types both show a displacement of the Ti atom towards an octahedral vertex. Crystal data: RbZrOAsO4, M-r = 331.61, orthorhombic, Pna2(1) (No. 33), a = 13.7538 (6) Angstrom, b = 6.8835 (3) Angstrom, c = 11.2712 (5) Angstrom, V = 1067.09 (8) Angstrom(3), Z = 8, R(F) = 0.034, wR(F-2) = 0.080. (C) 2004 Elsevier SAS. All rights reserved.
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页码：981 / 985
页数：5
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