Structure Refinement of the Semiconducting Compound Cu3TaS4 from X-Ray Powder Diffraction Data

被引：15
|
作者：
Delgado, G. E. [1 ]
Contreras, J. E. [1 ]
Mora, A. J. [1 ]
Duran, S. [2 ]
Munoz, M. [2 ]
Grima-Gallardo, P. [2 ]
机构：
[1] Univ Los Andes, Fac Ciencias, Dept Quim, Lab Cristalog, Merida 5101, Venezuela
[2] Univ Los Andes, Fac Ciencias, Ctr Estudios Semicond, Dept Fis, Merida 5101, Venezuela
来源：
ACTA PHYSICA POLONICA A | 2011年 / 120卷 / 03期
关键词：
TERNARY; RELIABILITY; CRITERION; SE;
D O I：
10.12693/APhysPolA.120.468
中图分类号：
O4 [物理学];
学科分类号：
0702 ;
摘要：
The ternary compound Cu3TaS4 has been investigated by means of X-ray powder diffraction and its structure has been refined by the Rietveld method. This compound is isostructural with the sulvanite mineral Cu3VS4, and crystallizes in the cubic P (4) over bar 3m space group (No. 215), Z = 1, with unit cell parameters a = 5.5145(1) angstrom and V = 167.70(1) angstrom(3). The refinement of 14 instrumental and structural parameters converged to R-p = 4.4%, R-wp = 6.8%, R-exp= 5.5% and S = 1.2 for 4501 step intensities and 33 independent reflections.
引用
收藏
页码：468 / 472
页数：5
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