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

页码：468 / 472

页数：5

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