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X-ray diffraction data and Rietveld refinement of CuGaxIn1-xSe2 (x=0.15 and 0.50)

Published online by Cambridge University Press:  29 February 2012

E. J. Friedrich ,
R. Fernández-Ruiz ,
J. M. Merino  and
M. León
E. J. Friedrich*
Affiliation:
Departamento de Física Aplicada, Universidad Autónoma de Madrid, Campus de Cantoblanco, 28049 Madrid, Spain
R. Fernández-Ruiz
Affiliation:
Laboratorio de TXRF/Laue-XRD, Servicio Interdepartamental de Investigación (SIdI), Universidad Autónoma de Madrid, Campus de Cantoblanco, 28049 Madrid, Spain
J. M. Merino
Affiliation:
Departamento de Física Aplicada, Universidad Autónoma de Madrid, Campus de Cantoblanco, 28049 Madrid, Spain
M. León
Affiliation:
Departamento de Física Aplicada, Universidad Autónoma de Madrid, Campus de Cantoblanco, 28049 Madrid, Spain
*
a)Author to whom correspondence should be addressed. Electronic mail: [email protected]
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Abstract

X-ray powder diffraction data for CuGa0.15In0.85Se2 and CuGa0.50In0.50Se2 are reported. Indexing of the X-ray diffraction powder pattern and the Rietveld refinement confirmed that these compounds crystallize in the tetragonal crystal system, with space group I-42d (No. 122) and lattice parameters of a=5.7528(2) Å and c=11.5225(3) Å for CuGa0.15In0.85Se2 and a=5.6847(1) Å and c=11.2817(1) Å for CuGa0.50In0.50Se2. The CuGaxIn1−xSe2 system presents the chalcopyrite type crystal structure (CuFeS2) and corresponds to two stacked zinc-blende unit cells. The metal atoms Cu, In, and Ga are regularly ordered in the unit cell. Every Se atom is tetrahedrally bonded to two Cu and two In and Ga atoms.

Keywords

Cu(In,Ga)Se2CIGSRietveld refinementchalcopyritepowder diffraction
Type
Technical Articles
Information
Powder Diffraction , Volume 25 , Issue 3 , September 2010 , pp. 253 - 257
Copyright
Copyright © Cambridge University Press 2010

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