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Crystal structure refinement of the ternary compound Cu 2 SnTe 3 by X‐ray powder diffraction
Author(s) -
Delgado G. E.,
Mora A. J.,
Marcano G.,
Rincón C.
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.200711049
Subject(s) - isostructural , crystallography , ternary operation , powder diffraction , rietveld refinement , crystal structure , diffraction , x ray crystallography , materials science , tetrahedron , ternary compound , chemistry , physics , inorganic chemistry , optics , computer science , programming language
The ternary compound Cu 2 SnTe 3 crystallizes in the Imm2 (Nº 44) space group, Z = 2, with a = 12.833(4) Å, b = 4.274(1) Å, c = 6.043(1) Å, V = 331.5(1) Å 3 . Its structure was refined from X‐ray powder diffraction data using the Rietveld method. The refinement of 25 instrumental and structural variables led to R p = 10.2%, R wp = 11.8%, R exp = 7.7%, R B = 10.6%, S = 1.6 and χ 2 = 2.6, for 5501 step intensities and 163 independent reflections. This compound is isostructural with Cu 2 GeSe 3 , and consists of a three‐dimensional arrangement of slightly distorted CuTe 4 and SnTe 4 tetrahedra connected by common corners. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)