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Thomas Bernert, Arno Pfitzner

Cu₂MnM^IVS₄ (M^IV = Si, Ge, Sn) — analysis of crystal structures and tetrahedra volumes of normal tetrahedral compounds

The crystal structures of the normal tetrahedral compounds Cu₂MnSiS₄, Cu₂MnGeS₄, and Cu₂MnSnS₄ are presented. The structures were refined from single crystal X-ray data. Cu₂MnSiS₄ and Cu₂MnGeS₄ crystallize in the space group Pmn2₁ in a wurtzite type superstructure. The refinement of Cu₂MnSiS₄ converged to R = 0.0214 and wR2 = 0.0477. The redetermination of Cu₂MnGeS₄ converged to R = 0.0281, wR2 = 0.0739. The tetrahedra vol umes of the coordination polyhedra of the cations in these compounds are calculated and compared with those of Cu₂MnSnS₄ (redetermination, spacegroup I-42m, sphalerite type superstructure, R = 0.0146, wR2 = 0.0425). In the wurtzite type structures the tetrahedra volumes differ significantly for different cations while they differ only in a small range in the sphalerite type structure.

Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag

Print ISSN: 0044-2968
Volume: 220, 11/2005
Pages: 968 - 972

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