Structure, ordering, and bonding of half antiperovskites: PbNi3/2S and BiPd3/2S
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | WEIHRICH, Richard | |
| hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
| dc.contributor.author | MATAR, Samir F. | |
| hal.structure.identifier | Institut für Physik | |
| dc.contributor.author | EYERT, Volker | |
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | RAU, Franz | |
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | ZABEL, Manfred | |
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | ANDRATSCHKE, Martina | |
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | ANUSCA, Irina | |
| hal.structure.identifier | Institut für Anorganische Chemie | |
| dc.contributor.author | BERNET, Thomas | |
| dc.date.issued | 2007 | |
| dc.identifier.issn | 0079-6786 | |
| dc.description.abstractEn | 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 fits in an ordering model equivalently to shandite and parkerite... | |
| dc.language.iso | en | |
| dc.publisher | Elsevier | |
| dc.subject.en | Half antiperovskite | |
| dc.subject.en | Ordering | |
| dc.subject.en | Shandite | |
| dc.subject.en | Parkerite | |
| dc.subject.en | DFT | |
| dc.subject.en | LDA | |
| dc.subject.en | ASW | |
| dc.subject.en | ECOV | |
| dc.title.en | Structure, ordering, and bonding of half antiperovskites: PbNi3/2S and BiPd3/2S | |
| dc.type | Article de revue | |
| dc.identifier.doi | 10.1016/j.progsolidstchem.2007.01.011 | |
| dc.subject.hal | Chimie/Matériaux | |
| bordeaux.journal | Progress in Solid State Chemistry | |
| bordeaux.page | 309-327 | |
| bordeaux.volume | 35 | |
| bordeaux.issue | 2-4 | |
| bordeaux.peerReviewed | oui | |
| hal.identifier | hal-00159839 | |
| hal.version | 1 | |
| hal.popular | non | |
| hal.audience | Internationale | |
| hal.origin.link | https://hal.archives-ouvertes.fr//hal-00159839v1 | |
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