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Crystal structure of the quaternary alloy CuTaInSe 3
Author(s) -
Delgado G. E.,
Mora A. J.,
GrimaGallardo P.,
Durán S.,
Muñoz M.,
Quintero M.
Publication year - 2008
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.200711154
Subject(s) - isostructural , tetragonal crystal system , crystallography , rietveld refinement , crystal structure , chemistry , powder diffraction , alloy , diffraction , group (periodic table) , x ray crystallography , materials science , physics , optics , organic chemistry
The crystal structure of the quaternary compound CuTaInSe 3 belonging to the system (CuInSe 2 ) 1‐x (TaSe) x with x= 0.5, was analyzed using X‐ray powder diffraction data. This material is isostructural with the CuFeInSe 3 compound, and crystallize in the tetragonal space group P42c (Nº 112), Z = 1, with unit cell parameters a = 5.7831(1) Å, c = 11.6227(4) Å, V = 388.71(2) Å 3 . The Rietveld refinement of 18 instrumental and structural variables led to R p = 8.0%, R wp = 9.5%, R exp = 6.3% and χ 2 = 1.5 for 4501 step intensities and 144 independent reflections. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)