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Journal of Structural Chemistry

2016 year, number 3

STRUCTURAL ROLE OF LARGE CATIONS IN SULFIDES WITH Cs+ AND Tl+

S. V. Borisov, S. A. Magarill, N. V. Pervukhina
Nikolaev Institute of Inorganic Chemistry, Siberian Branch, Russian Academy of Sciences, Novosibirsk, Russia
Keywords: кристаллографический анализ, крупные катионы Cs, Tl в сульфидах, F-подрешетки, структурный тип PbS, двумерные упорядочения позиций атомов, crystallographic analysis, large Cs and Tl cations in sulfides, F sublattices, PbS structural type, “two-dimensional” orderings of atomic positions

Abstract

The results of a crystallographic analysis of the structures of CsFe2S3, Tl2PbZrS4, and Tl2PbGeS4 with a 1:1 cation-anion ratio are used to identify a joint F sublattice for Cs and S in the first compound and two separate F sublattices for cations and anions in the second compound (the PbS structural type). The substitution of the small Ge4+ (with its tetrahedral coordination by sulfur) for Zr4+ in the composition results in an increase in the unit cell volume, i.e., a decrease in the packing density for both cations and anions in the structure of the third compound. In the absence of regular F sublattices, there are “two-dimensional” orderings, typical of the PbS type, for the atomic positions in the projections of this structure.