期刊
ZEITSCHRIFT FUR KRISTALLOGRAPHIE
卷 220, 期 11, 页码 968-972出版社
WALTER DE GRUYTER GMBH
DOI: 10.1524/zkri.2005.220.11_2005.968
关键词
tetrahedral structures; quaternary copper chalcogenides; Wurtzite structure type; sphalerite structure type; single crystal structure analysis; X-ray diffraction
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 Pmn2(1) in a wurtzite type superstructure. The refinement Of Cu2MnSiS4 converged to R = 0.0214 and wR2 = 0.0477. The redetennination of Cu2MnGeS4 converged to R = 0.0281, wR2 = 0.0739. The tetrahedra volumes of the coordination polyhedra of the cations in these compounds are calculated and compared with those of Cu2MnSnS4 (redetermination, spacegroup I (4) over bar 2m, 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.
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