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Na3V2(PO4)2F3 revisited : a high-resolution diffraction study

hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
hal.structure.identifierLaboratoire réactivité et chimie des solides - UMR CNRS 7314 UPJV [LRCS]
hal.structure.identifierInstitut Laue-Langevin [ILL]
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorBIANCHINI, Mateos
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorBRISSET, N.
hal.structure.identifierEuropean Synchrotron Radiation Facility [ESRF]
dc.contributor.authorFAUTH, F.
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorWEILL, François
hal.structure.identifierSynchrotron SOLEIL [SSOLEIL]
dc.contributor.authorELKAIM, Erik
hal.structure.identifierInstitut Laue-Langevin [ILL]
dc.contributor.authorSUARD, Emmanuelle
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
hal.structure.identifierLaboratoire réactivité et chimie des solides - UMR CNRS 7314 UPJV [LRCS]
hal.structure.identifierAdvanced Lithium Energy Storage Systems - ALISTORE-ERI [ALISTORE-ERI]
dc.contributor.authorMASQUELIER, Christian
hal.structure.identifierRéseau sur le stockage électrochimique de l'énergie [RS2E]
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
hal.structure.identifierAdvanced Lithium Energy Storage Systems - ALISTORE-ERI [ALISTORE-ERI]
dc.contributor.authorCROGUENNEC, Laurence
dc.date.issued2014
dc.identifier.issn0897-4756
dc.description.abstractEnNa3V2(PO4)2F3 is a material that has been attracting great interest as a potential positive electrode for Na-ion batteries. Its crystal structure was determined from single-crystal X-ray diffraction in 1999 by Le Meins et al. in the tetragonal space group P42/mnm at 298 K. In this work, we show how the use of very high angular resolution synchrotron radiation diffraction reveals a subtle orthorhombic distortion with unit-cell parameters of a = 9.02847(3) Å, b = 9.04444(3) Å, c = 10.74666(6) Å in the Amam space group. Although this only slightly impacts the structural framework of the material, it reveals a significantly modified distribution of Na ions. Furthermore, the crystal structure of the high-temperature form of Na3V2(PO4)2F3 (at 400 K) was determined for the first time. This allowed comparing the totally disordered distribution of Na ions in this case with the partially ordered one of the room-temperature phase. We report here on an original structure and on an original electrochemical signature for stoichiometric Na3V2(PO4)2F3, and we propose that fluctuations in the O/F ratio are at the origin of discrepancies found in the literature.
dc.language.isoen
dc.publisherAmerican Chemical Society
dc.title.enNa3V2(PO4)2F3 revisited : a high-resolution diffraction study
dc.typeArticle de revue
dc.identifier.doi10.1021/cm501644g
dc.subject.halChimie/Matériaux
bordeaux.journalChemistry of Materials
bordeaux.page4238-4247
bordeaux.volume26
bordeaux.issue14
bordeaux.peerReviewedoui
hal.identifierhal-01060314
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-01060314v1
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