Ab initio structure determination of new rare earth fluoride borates Ln3(BO3)2F3 (Ln = Sm, Eu, and Gd)

被引：36

作者：

Corbel, G ^{[1
]}

Retoux, R ^{[1
]}

Leblanc, M ^{[1
]}

机构：

[1] Univ Maine, Lab Fluorures, UPRES A 6010, F-72085 Le Mans, France

来源：

JOURNAL OF SOLID STATE CHEMISTRY | 1998年 / 139卷 / 01期

关键词：

D O I：

10.1006/jssc.1998.7800

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The crystal structures of Ln(3)(BO3)(2)F-3 (Ln = Sm, Eu, and Gd) are determined ab initio from X-ray powder data. The unit cell is monoclinic, space group C2/c, Z = 4, with a = 12.534(1) Angstrom, b = 6.237(1) Angstrom, c = 8.360(1) Angstrom, beta = 97.404(6)degrees, V = 648.1(2) Angstrom(3) for Gd-3(BO3)(2)F-3. The Rietveld refinement reliability converged to R-p = 0.121, R-wp = 0,147, R-exp = 0.050, chi(2) = 8.75. The structure presents a 3D network of Archimedian monocapped antiprisms Gd(1)O4F5 and Gd(2)O7F2. These polyhedra form trimeric entities Gd3O12F9, which build infinite layers parallel to the (010) plane. (C) 1998 Academic Press.

引用

页码：52 / 56

页数：5

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