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Structural and spectroscopic studies of NaCuCr2(PO4)3: a noncentrosymmetric phosphate belonging to the α-CrPO4-type compounds

hal.structure.identifierLaboratoire Physico-Chimie des Matériaux [Monastir]
hal.structure.identifierCentre de Recherches et des Technologies de l’Energie [CRTEn]
dc.contributor.authorSOUIWA, Khalifa
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorLEBRAUD, Eric
hal.structure.identifierPlateforme Aquitaine de Caractérisation des Matériaux [PLACAMAT]
dc.contributor.authorGAYOT, Marion
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorWEILL, François
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorMAUVY, Fabrice
hal.structure.identifierSchool of Chemistry
hal.structure.identifierAustralian Nuclear Science and Technology Organisation [Australie] [ANSTO]
dc.contributor.authorAVDEEV, Maxim
hal.structure.identifierCentre de Recherches et des Technologies de l’Energie [CRTEn]
dc.contributor.authorCHTOUROU, Radhouane
hal.structure.identifierLaboratoire Physico-Chimie des Matériaux [Monastir]
dc.contributor.authorHIDOURI, Mourad
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorTOULEMONDE, Olivier
dc.date.issued2021
dc.identifier.issn0020-1669
dc.description.abstractEnAn electron and joint neutron and X-ray diffraction study of the synthetic copper/chromium phosphate NaCuCr2(PO4)3 (NaCuP) is reported. A noncentrosymmetric Imm2 space group belonging to the well-known α-CrPO4 type is observed contrary to what is reported in NaMCr2(PO4)3 (M = Co and Ni) phosphates. The structural model is validated by bond valence sum analysis and charge-distribution (CHARDI) calculations and supported by complementary infrared and Raman spectroscopy investigations. Both Raman spectroscopy and theoretical study by deformation density approach further suggest the presence of Cu2+ (3d9) and Cr2+ (3d4) Jahn–Teller polaron effects as a key factor to the centro Imma to noncentrosymmetric Imm2 phase change.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.title.enStructural and spectroscopic studies of NaCuCr2(PO4)3: a noncentrosymmetric phosphate belonging to the α-CrPO4-type compounds
dc.typeArticle de revue
dc.identifier.doi10.1021/acs.inorgchem.1c00296
dc.subject.halChimie/Matériaux
dc.subject.halChimie/Chimie inorganique
bordeaux.journalInorganic Chemistry
bordeaux.page7803-7814
bordeaux.volume60
bordeaux.issue11
bordeaux.peerReviewedoui
hal.identifierhal-03255646
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-03255646v1
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