Structure Refinement of the Semiconducting Compound Cu_3TaS_4 from X-Ray Powder Diffraction Data

• Authors: G. Delgado , J. Contreras , A. Mora , S. Durán , M. Muñoz , P. Grima-Gallardo
• Languages of publication: EN

Abstracts

EN

The ternary compound Cu_{3}TaS_{4} 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 Cu_{3}VS_{4}, and crystallizes in the cubic P \bar{4} 3m space group (No. 215), Z = 1, with unit cell parameters a = 5.5145(1) Å and V = 167.70(1) Å^{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.

Keywords

EN

61.50.Nw; 61.66.Fn

Discipline

• 61.66.Fn: Inorganic compounds
• 61.50.Nw: Crystal stoichiometry

• Journal: Acta Physica Polonica A
• Year: 2011
• Volume: 120
• Issue: 3
• Pages: 468-472

Dates

published

2011-09

received

2010-10-05

(unknown)

2011-04-01

Contributors

author

G. Delgado

• Laboratorio de Cristalografía, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela

author

J. Contreras

• Laboratorio de Cristalografía, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela

author

A. Mora

• Laboratorio de Cristalografía, Departamento de Química, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela

author

S. Durán

• Centro de Estudios de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela

author

M. Muñoz

• Centro de Estudios de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela

author

P. Grima-Gallardo

• Centro de Estudios de Semiconductores, Departamento de Física, Facultad de Ciencias, Universidad de Los Andes, Mérida 5101, Venezuela

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Identifiers

DOI

10.12693/APhysPolA.120.468