Study of the pyrochlore-related structure of α-Cs2U4O12 by powder neutron and X-ray diffraction

被引：2

作者：

Van den Berghe, S

Laval, JR

Verwerft, M

Gaudreau, B

Suard, E

机构：

[1] CEN SCK, Reactor Mat Res, B-2400 Mol, Belgium

[2] Univ Limoges, UMR CNRS 6638, Lab Sci Procedes Ceram & Traitements Surface, F-87060 Limoges, France

[3] Inst Max Von Laue Paul Langevin, F-38042 Grenoble, France

来源：

SOLID STATE SCIENCES | 2002年 / 4卷 / 10期

关键词：

cesium uranate; powder diffraction; rietveld method; pyrochlore; crystal structure; neutron diffraction;

D O I：

10.1016/S1293-2558(02)00010-9

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The crystal structure of the low temperature a variety of the cesium uranate Cs2U4O12 has been determined by a simultaneous refinement of X-ray and neutron diffraction data obtained on a powder sample. The structure is rhombohedral (space group R (3) over bar and not R3m as previously determined for the cation framework only) with hexagonal cell parameters a = 15.4232(l) Angstrom and c = 19. 1816(2) Angstrom. Cs(2)U(4)o(12) contains a three-dimensional pyrochlore-like framework Of UO6 octahedra and UO7 distorted pentagonal bipyramids sharing corners or edges. Bond valence calculations show that, of four U sites, two are only occupied by U5+, one by U6+ and the fourth by a mixture of U6+ and U5+. This new structure type derives from the so-called "modified pyrochlore" RbNiCrF6 type (or CsNbWO6) by the transformation of some corner-sharing octahedra to edge-sharing pentagonal bipyramids. (C) 2002 Editions scientifiques et medicales Elsevier SAS. All rights reserved.

引用

页码：1257 / 1264

页数：8

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