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The gallium intermetallics REPdGa3 (RE = La, Ce, Pr, Nd, Sm, Eu) with SrPdGa3-type structure

hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorSEIDEL, Stefan
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorNIEHAUS, Oliver
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.authorJANKA, Oliver
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorGERKE, Birgit
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorRODEWALD, Ute Ch.
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorPÖTTGEN, Rainer
dc.date.issued2014
dc.identifier.issn0932-0776
dc.description.abstractEnThe gallium-rich intermetallic phases REPdGa3 (RE = La, Ce, Pr, Nd, Sm, Eu) were obtained by arc-melting of the elements and subsequent annealing for crystal growth. The samples were studied by X-ray diffraction on powders and single crystals. The structures of three crystals were refined from X-ray diffractometer data: SrPdGa3 type, Cmcm, a = 634.3(1), b = 1027.2(1), c = 593.5(1) pm, wR = 0.0621, 380 F2 values, 20 variables for CePd0.80(4)Ga3.20(4), a = 635.9(1), b = 1027.5(1), c = 592.0(1) pm, wR = 0.1035, 457 F2 values, 19 variables for CePdGa3, and a = 640.7(1), b = 1038.2(1), c = 593.7(1) pm, wR = 0.0854, 489 F2 values, 19 variables for EuPdGa3. The REPdGa3 gallides are orthorhombic superstructure variants of the aristotype ThCr2Si2. The palladium and gallium atoms build up polyanionic [PdGa3]δ− networks with Pd–Ga and Ga–Ga distances of 248–254 and 266–297pm, respectively, in EuPdGa3. The rare earth atoms fill cavities within the polyanionic networks. They are coordinated by five palladium and twelve gallium atoms. Taking CePdGa3 as an illustrative representative, the band structure calculations show largely dispersive itinerant s, p bands and little dispersive d (Pd) and f (Ce) bands, the latter crossing the Fermi level at large magnitude leading to magnetic instability in a spin-degenerate state and a subsequent antiferromagnetic ground state with a small moment of ±0.36 μB on Ce. The bonding characteristics indicate a prevailing Ce–Ga bonding versus Pd–Ga and Ce–Pd. Temperature-dependent magnetic susceptibility and 151Eu Mössbauer spectroscopic measurements point to stable trivalent lanthanum, cerium, praseodymium, and neodymium, but divalent europium. SmPdGa3 shows intermediate valence. Antiferromagnetic ordering occurs at TN = 5.1(5), 7.0(5), 6.3(5), 11.9(5), and 23.0(5) for RE = Ce, Pr, Nd, Sm, and Eu, respectively.
dc.language.isoen
dc.publisherVerlag der Zeitschrift Fuer Naturforschung
dc.subject.enGallide
dc.subject.enRare Earth Compounds
dc.subject.enSrPdGa3 Type
dc.subject.enMagnetic Properties
dc.subject.enMössbauer Spectroscopy
dc.title.enThe gallium intermetallics REPdGa3 (RE = La, Ce, Pr, Nd, Sm, Eu) with SrPdGa3-type structure
dc.typeArticle de revue
dc.identifier.doi10.5560/ZNB.2014-4119
dc.subject.halChimie/Matériaux
dc.subject.halChimie/Chimie inorganique
dc.subject.halChimie/Cristallographie
bordeaux.journalZeitschrift fur Naturforschung B
bordeaux.page1105-1118
bordeaux.volume69
bordeaux.issue11-12
bordeaux.peerReviewedoui
hal.identifierhal-01092817
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01092817v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Zeitschrift%20fur%20Naturforschung%20B&rft.date=2014&rft.volume=69&rft.issue=11-12&rft.spage=1105-1118&rft.epage=1105-1118&rft.eissn=0932-0776&rft.issn=0932-0776&rft.au=SEIDEL,%20Stefan&NIEHAUS,%20Oliver&MATAR,%20Samir%20F.&JANKA,%20Oliver&GERKE,%20Birgit&rft.genre=article


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