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A cationic order-disorder phase transition in KPb2Cl5

hal.structure.identifierCentre Interdisciplinaire de Recherche Ions Lasers [CIRIL]
dc.contributor.authorVELÁZQUEZ, Matias
hal.structure.identifierCentre Interdisciplinaire de Recherche Ions Lasers [CIRIL]
dc.contributor.authorFERRIER, Alban
hal.structure.identifierCentre Interdisciplinaire de Recherche Ions Lasers [CIRIL]
dc.contributor.authorPÉREZ, Olivier
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorPECHEV, Stanislav
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorGRAVEREAU, Pierre
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCHAMINADE, Jean-Pierre
hal.structure.identifierCentre Interdisciplinaire de Recherche Ions Lasers [CIRIL]
dc.contributor.authorMONCORGÉ, Richard
dc.date.issued2006
dc.identifier.issn1434-1948
dc.description.abstractEnThe phase transition occurring at Tt = 528 K in the natural mineral and synthetic laser host compound KPb2Cl5 has been characterized by means of both single-crystal X-ray diffraction (XRD) as a function of temperature and differential scanning calorimetry (DSC). The K+ and Pb2+(2) cations order on passing from the high-temperature orthorhombic phase (space group Pmcn; a = 8.951, b = 8.015, c = 12.683 Å, Z = 4 at 623 K) to the low-temperature monoclinic one (space group P21/c; a = 8.849, b = 7.918, c = 12.472 Å, = 90.11°, Z = 4, at room temperature), leading to a group-subgroup first-order phase transition displaying moderately fast kinetics and low entropy production upon thermal cycling around Tt. The positional entropy calculated from our crystal structure models corresponds to the transition entropy measured by DSC within the experimental error, and amounts to about 0.34 R. The driving force for the phase transition, A 22 J mol-1, remains negligible with respect to both the thermal energy at Tt (RTt 4.4 kJ mol-1) and the transition latent heat (H 790 J mol-1), thereby suggesting that this phase transition is a close-to-equilibrium process.
dc.language.isoen
dc.publisherWiley-VCH Verlag
dc.subject.enHalides
dc.subject.enSolid-state structures
dc.subject.enStructure elucidation
dc.subject.enPhase transitions
dc.subject.enThermodynamics
dc.title.enA cationic order-disorder phase transition in KPb2Cl5
dc.typeArticle de revue
dc.identifier.doi10.1002/ejic.200600337
dc.subject.halChimie/Matériaux
bordeaux.journalEuropean Journal of Inorganic Chemistry
bordeaux.page4168 - 4178
bordeaux.issue20
bordeaux.peerReviewedoui
hal.identifierhal-00107301
hal.version1
hal.popularnon
hal.audienceNon spécifiée
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00107301v1
bordeaux.COinSctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=European%20Journal%20of%20Inorganic%20Chemistry&rft.date=2006&rft.issue=20&rft.spage=4168%20-%204178&rft.epage=4168%20-%204178&rft.eissn=1434-1948&rft.issn=1434-1948&rft.au=VEL%C3%81ZQUEZ,%20Matias&FERRIER,%20Alban&P%C3%89REZ,%20Olivier&PECHEV,%20Stanislav&GRAVEREAU,%20Pierre&rft.genre=article


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