Structural characterization of the ternary cornpound Cu3TaSe4

被引：35

作者：

Delgado, Gerzon E.

Mora, Asiloe J. ^{[1
]}

Duran, Sonia

Munoz, Marcos

Grima-Gallardo, Pedro

机构：

[1] Univ Los Andes, Fac Ciencias, Dept Quim, Lab Cristalog, Merida 5101, Venezuela

[2] Univ Los Andes, Fac Ciencias, Dept Fis, Ctr Estudios Semicond, Merida 5101, Venezuela

来源：

JOURNAL OF ALLOYS AND COMPOUNDS | 2007年 / 439卷 / 1-2期

关键词：

inorganic materials; semiconductors; crystal structure; X-ray diffraction;

D O I：

10.1016/j.jallcom.2006.08.232

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The Cu3TaSe4 compound crystallizes in the cubic P (4) over bar 3m (No. 215) space group, Z= 1, with a = 5.6600(1) angstrom, V= 181.32(j) angstrom(3). Its structure was refined from X-ray powder diffraction data using the Rietveld method. The refinement of 21 instrumental and structural variables led to R-p = 12.2%, R-wp = 14.7%, R-exp = 8.0%, R-B = 14.5% and S= 1.8, for 4501 step intensities and 33 independent reflections. This compound is isostructural with the sulvanite mineral and is characterized for a three-dimensional arrangement of CuSe4 and TaSe4 tetrahedra connected by common edges, and the CuSe4 tetrahedra sharing vertexes among them. (c) 2006 Elsevier B.V. All rights reserved.

引用

页码：346 / 349

页数：4

共 24 条

[1] Electronic structure of layered 1T-TaSe2 in commensurate charge-density-wave phase studied by angle-resolved photoemission spectroscopy -: art. no. 073408 [J].