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Structure, ordering, and bonding of half antiperovskites: PbNi3/2S and BiPd3/2S

Weihrich, Richard ; Matar, S. F. ; Eyert, V. ; Rau, Franz ; Zabel, Manfred ; Andratschke, Martina ; Anusca, Irina ; Bernert, Thomas


In a model study the crystal structures of shandite (Pb2Ni3S2), parkerite (Bi2Ni3S2) and their Pd homologues are investigated in terms of ordered half antiperovskites AM3/2S (A = Pb, Bi; M = Ni, Pd). This addresses fundamental questions on the structural relations, ordering and chemical bonding. From crystal structure investigations a new cubic parkerite variant is presented for Bi2Pd3S2 that ...


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