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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 and Bernert, Thomas (2007) Structure, ordering, and bonding of half antiperovskites: PbNi3/2S and BiPd3/2S. Progress in Solid State Chemistry 35 (2-4), pp. 309-327.

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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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Item type:Article
Institutions:Chemistry and Pharmacy > Institut für Anorganische Chemie > Arbeitskreis Dr. Richard Weihrich
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Keywords:Half antiperovskite; Ordering; Shandite; Parkerite; DFT; LDA; ASW; ECOV
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:13477
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