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Halbantiperowskite: zur Struktur der Shandite und ihren Typ-Antitypbeziehungen

Weihrich, Richard ; Anusca, Irina ; Zabel, Manfred



Abstract

The crystallographic and electronic structures of the ternary shandite type sulfides M(3)A(2)S(2) (M = Co, Ni; A = In, Sri) were investigated by X-ray diffraction, as well as density functional theory (DFT) band structure calculations with respect to superstructure and type-antitype relations. The crystal structure of Ni3In2S2 (space group R3m, a = 5.371 angstrom, c = 13.563 angstrom) was ...

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