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hal.structure.identifierInstitut für Anorganische Chemie
dc.contributor.authorWEIHRICH, Richard
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMATAR, Samir F.
hal.structure.identifierInstitut für Physik
dc.contributor.authorEYERT, Volker
hal.structure.identifierInstitut für Anorganische Chemie
dc.contributor.authorRAU, Franz
hal.structure.identifierInstitut für Anorganische Chemie
dc.contributor.authorZABEL, Manfred
hal.structure.identifierInstitut für Anorganische Chemie
dc.contributor.authorANDRATSCHKE, Martina
hal.structure.identifierInstitut für Anorganische Chemie
dc.contributor.authorANUSCA, Irina
hal.structure.identifierInstitut für Anorganische Chemie
dc.contributor.authorBERNET, Thomas
dc.date.issued2007
dc.identifier.issn0079-6786
dc.description.abstractEnIn 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 fits in an ordering model equivalently to shandite and parkerite...
dc.language.isoen
dc.publisherElsevier
dc.subject.enHalf antiperovskite
dc.subject.enOrdering
dc.subject.enShandite
dc.subject.enParkerite
dc.subject.enDFT
dc.subject.enLDA
dc.subject.enASW
dc.subject.enECOV
dc.title.enStructure, ordering, and bonding of half antiperovskites: PbNi3/2S and BiPd3/2S
dc.typeArticle de revue
dc.identifier.doi10.1016/j.progsolidstchem.2007.01.011
dc.subject.halChimie/Matériaux
bordeaux.journalProgress in Solid State Chemistry
bordeaux.page309-327
bordeaux.volume35
bordeaux.issue2-4
bordeaux.peerReviewedoui
hal.identifierhal-00159839
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00159839v1
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