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Magnesium and cadmium in covalently-bonded lonsdaleite networks : synthesis, structure, and bonding of AETMg2 and SrTCd2 (AE = Ca, Sr ; T = Pd, Ag, Pt, Au)

hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorKRESTING, Marcel
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorJOHNSCHER, Michael
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMATAR, Samir F.
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorPÖTTGEN, Rainer
dc.date.issued2013
dc.identifier.issn0044-2313
dc.description.abstractEnThe alkaline earth metal compounds AETMg2 and AETCd2 (AE = Ca, Sr; T = Pd, Ag, Pt, Au) were synthesized by induction-melting (or in muffle furnaces) of the elements in sealed niobium ampoules. The new phases were characterized by powder X-ray diffraction. The structures of SrPdMg2 and SrPdCd2 were investigated by X-ray diffraction on single crystals: MgCuAl2 type, Cmcm, a = 436.42(4), b = 1130.1(1), c = 820.54(7) pm, wR2 = 0.0115, 511 F2 values for SrPdMg2 and a = 443.5(2), b = 1063.0(2), c = 810.2(2) pm, wR2 = 0.0296, 386 F2 values for SrPdCd2 with 16 variables for each refinement. The magnesium and cadmium atoms build up [TMg2] and [TCd2] polyanionic networks, which leave cavities for the calcium and strontium atoms. The bonding variations within the polyanions, which are mainly influenced by the length of the b axis are discussed. Ab initio calculations of electronic structure, charge densities, and chemical bonding, characterize SrPdMg2 with a larger cohesive energy than SrPdCd2. This is illustrated by larger bonding Pd-Mg interactions, opposite to compensating Pd-Cd between bonding and antibonding states.
dc.language.isoen
dc.publisherWiley-VCH Verlag
dc.title.enMagnesium and cadmium in covalently-bonded lonsdaleite networks : synthesis, structure, and bonding of AETMg2 and SrTCd2 (AE = Ca, Sr ; T = Pd, Ag, Pt, Au)
dc.typeArticle de revue
dc.identifier.doi10.1002/zaac.201200538
dc.subject.halChimie/Matériaux
bordeaux.journalJournal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie
bordeaux.page707-713
bordeaux.volume639
bordeaux.issue5
bordeaux.peerReviewedoui
hal.identifierhal-00816921
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00816921v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Inorganic%20and%20General%20Chemistry%20/%20Zeitschrift%20f%C3%BCr%20anorganische%20und%20allgemeine%20Chemie&rft.date=2013&rft.volume=639&rft.issue=5&rft.spage=707-713&rft.epage=707-713&rft.eissn=0044-2313&rft.issn=0044-2313&rft.au=KRESTING,%20Marcel&JOHNSCHER,%20Michael&MATAR,%20Samir%20F.&P%C3%96TTGEN,%20Rainer&rft.genre=article


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