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Crystal structure of the cubic modification of Cu2FeSnS4

  • Structure of Inorganic Compounds
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Abstract

The structure of Cu2 − x Fe1 − x SnS4, the last member of the isomorphous series Cu3FeS4-Cu2FeSnS4, was synthesized for the first time and solved by the Rietveld method (the WYRIET 3.3 version). The compound occurs as a cubic phase (a 0 = 5.4179(5) Å) crystallizing in the sp. gr. \(P\bar 43m\). One-half of the tetrahedral cavities in the close packing of sulfur atoms [4e (xxx), x = 0.2583(5)] are statistically filled with metal atoms (Sn + Fe) and (Cu + Fe + Sn) [1a(0 0 0) and 3c (0 1/2 1/2), respectively]. The results of X-ray study (R p = 2.33, R wp = 3.00, s = 1.20, D = 1.53, R B = 2.52, and R F = 2.00) confirm the existence of the stannite “prototype” with a “small” cubic unit cell.

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Authors and Affiliations

  1. Institute of Geology of Ore Deposits, Petrography, Mineralogy, and Geochemistry (IGEM), Russian Academy of Sciences, Staromonetnyi per. 35, Moscow, 109017, Russia

    T. L. Evstigneeva

  2. Faculty of Geology, Moscow State University, Vorob’evy gory, Moscow, 119899, Russia

    Yu. K. Kabalov

Authors
  1. T. L. Evstigneeva
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  2. Yu. K. Kabalov
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Translated from Kristallografiya, Vol. 46, No. 3, 2001, pp. 418–422.

Original Russian Text Copyright © 2001 by Evstigneeva, Kabalov.

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Evstigneeva, T.L., Kabalov, Y.K. Crystal structure of the cubic modification of Cu2FeSnS4 . Crystallogr. Rep. 46, 368–372 (2001). https://doi.org/10.1134/1.1376461

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