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hal.structure.identifierLaboratoire de Chimie des Matériaux Solides
dc.contributor.authorBENMOKHTAR, Saïd
hal.structure.identifierLaboratoire de Chimie des Matériaux Solides
dc.contributor.authorEL JAZOULI, Abdelaziz
hal.structure.identifierInstitut de Chimie de la Matière Condensée de Bordeaux [ICMCB]
dc.contributor.authorCHAMINADE, Jean-Pierre
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.authorMÉNÉTRIER, Michel
hal.structure.identifierLaboratoire Léon Brillouin [LLB - UMR 12]
dc.contributor.authorBOURÉE, Françoise
dc.date.issued2007
dc.identifier.issn0022-4596
dc.description.abstractEnNew titanyl phosphate Ti2O(H2O)(PO4)2 has been prepared and characterized by X-ray and neutron diffraction, nuclear magnetic resonance, infrared and Raman spectroscopies and thermogravimetric analysis. The crystal structure has been solved from neutron powder diffraction data at 300 K by Rietveld method in P21 space group. The refinement led to satisfactory profile factors (Rp=2.7%, Rwp=3.2%) and crystal structure model indicators (RB=5.8%, RF=3.2%). The cell is monoclinic with a=7.3735 Å, b=7.0405 Å, c=7.6609 Å and β=121.48°, Z=4. The structure can be described as a three-dimensional framework built up by chains of [TiO5(OH2)] octahedra with alternative short bonds [Ti(1)-O(12); Ti(2)-O(12), 1.88-1.84 Å] and long ones [Ti(1)-OW; Ti(2)-OW, 2.25-2.23 Å] along c-axis and connected via [PO4] tetrahedra. Oxygen atom denoted O(12) is only linked to two titanium atoms and Oxygen atom denoted OW is linked to two titanium atoms and two hydrogen atoms. O(12) and OW are not linked to P atoms and justify the titanyl phosphate formulation Ti2O(H2O)(PO4)2. The infrared and Raman spectra presents peaks due to vibrations of Ti-O, P-O and O-H bonds. The 31P MAS NMR spectrum reveals two 31P resonance lines, in agreement with the structure which showed two crystallographic sites for phosphorus. The thermogravimetric analysis show that Ti2O(H2O)(PO4)2 is thermally stable until 400 °C. Above this temperature, it losses water and decomposes to Ti5O4(PO4)4 and TiP2O7. © 2007 Elsevier Inc. All rights reserved.
dc.language.isoen
dc.publisherElsevier
dc.subject.enTitanyl phosphate
dc.subject.enInfrared spectroscopy
dc.subject.enNeutrons
dc.subject.enNMR
dc.subject.enRaman spectroscopy
dc.subject.enSynthesis
dc.subject.enX-ray diffraction
dc.title.enNew process of preparation, structure, and physicochemical investigations of the new titanyl phosphate Ti2O(H2O)(PO4)2
dc.typeArticle de revue
dc.identifier.doi10.1016/j.jssc.2007.07.028
dc.subject.halChimie/Matériaux
bordeaux.journalJournal of Solid State Chemistry
bordeaux.page2713-2722
bordeaux.volume180
bordeaux.issue10
bordeaux.peerReviewedoui
hal.identifierhal-00187747
hal.version1
hal.popularnon
hal.audienceInternationale
hal.origin.linkhttps://hal.archives-ouvertes.fr//hal-00187747v1
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