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A ZrNiAl related high-pressure modification fo CeRuSn

hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorNIEHAUS, Oliver
hal.structure.identifierInstitut für Allgemeine, Anorganische und Theoretische Chemie
dc.contributor.authorHEYMANN, Gunter
hal.structure.identifierInstitut für Allgemeine, Anorganische und Theoretische Chemie
dc.contributor.authorHUPPERTZ, Hubert
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorRODEWALD, Ute Ch.
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCHEVALIER, Bernard
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.authorHOFFMANN, Rolf-Dieter
hal.structure.identifierInstitut für Anorganische und Analytische Chemie
dc.contributor.authorPÖTTGEN, Rainer
dc.date.issued2016
dc.identifier.issn1477-9226
dc.description.abstractEnMonoclinic CeRuSn with its own structure type transforms to a high-pressure modification at 11.5 GPa and 1470 K (1000 t press, Walker type module). The structure of the high-pressure phase was refined from X-ray single crystal diffractometer data at room temperature. The HP-CeRuSn subcell structure adopts the ZrNiAl type: P[6 with combining macron]2m, a = 751.4(3) and c = 394.6(2) pm, wR2 = 0.0787, 310 F2 values and 15 variables. The Ru2 atoms within the Sn6 trigonal prisms show a strongly enhanced U33 parameter. Weak satellite reflections indicate a commensurate modulation: (3 + 1)D superspace group P31m(1/3,1/3,γ)000, a = 751.4(3) and c = 394.6(2) pm, γ = −1/3, wR2 = 0.0786, 1584 F2 values, 32 variables for the main reflections and wR2 = 0.3757 for the satellites of 1st order. A description of this new superstructure variant of the ZrNiAl type is possible in a transformed 3D supercell with the space group R3m and Z = 9. The driving force for formation of the modulation is strengthening of Ru–Sn bonding within the comparatively large Ru@Sn6 trigonal prisms. Electronic structure calculations point to an almost depleted Ce 4f shell. This is substantiated by temperature-dependent magnetic susceptibility data. Fitting of the data within the interconfiguration fluctuation model (ICF) resulted in cerium valences of 3.41 at 10 K and 3.31 at 350 K. Temperature dependent specific heat data underline the absence of magnetic ordering.
dc.language.isoen
dc.publisherRoyal Society of Chemistry
dc.title.enA ZrNiAl related high-pressure modification fo CeRuSn
dc.typeArticle de revue
dc.identifier.doi10.1039/C6DT02294D
dc.subject.halChimie/Matériaux
bordeaux.journalDalton Transactions
bordeaux.page14216-14229
bordeaux.volume45
bordeaux.issue36
bordeaux.peerReviewedoui
hal.identifierhal-01367775
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01367775v1
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