Temperature induced phase transition of CaMn0.5Zr1.5(PO4)3 phosphate
hal.structure.identifier | Institute of Mineralogy and Petrography | |
dc.contributor.author | ORLOVA, Maria | |
hal.structure.identifier | Institute of Mineralogy and Petrography | |
dc.contributor.author | PERFLER, Lukas | |
hal.structure.identifier | Institute of Mineralogy and Petrography | |
dc.contributor.author | TRIBUS, Martina | |
hal.structure.identifier | Department of Chemistry | |
dc.contributor.author | SALNIKOV, Petr | |
hal.structure.identifier | Institut de Chimie de la Matière Condensée de Bordeaux [ICMCB] | |
dc.contributor.author | GLORIEUX, Benoit | |
hal.structure.identifier | Department of Chemistry | |
dc.contributor.author | ORLOVA, Albina | |
dc.date.issued | 2016 | |
dc.identifier.issn | 0022-4596 | |
dc.description.abstractEn | In this work we investigated the structural behaviour of a CaMn0.5Zr1.5(PO4)3. Due to the presence of divalent Mn2+ cations this compound can possess interesting luminescence properties. It was recently understood that this phosphate undergoes a temperature induced irreversible phase transition in the range of 800–875 °C. It has also been shown that the 3d–3d luminescence of Mn2+ increases 10 fold for the high temperature polymorph. To determine the Mn environment structural investigations of both phases have been performed by the X-ray powder diffraction and Raman spectroscopy methods. The low temperature modification adopts the trigonal NZP structure type with a slightly lower symmetry (space group R32, a=8.7850(2) Å, c=22.6496(7) Å, V=1514.8(1) Å3). The high temperature form in turn has orthorhombic symmetry (space group Pnma, a=6.2350(3) Å, b=6.6281(3) Å, c=14.4731(6) Å, V=598.13(5) Å3). Both structures were solved ab-initio from powder data and structural analysis was performed. In-situ and RT Raman spectra are consistent with the XRD derived structural model. Mn2+ cations occupy different types of positions in these structures and a change in Mn coordination number (6 for LT phase, 7 for HT phase) results in different Mn–O bond lengths. These differences may explain the change in the optical properties between the polymorphs. | |
dc.language.iso | en | |
dc.publisher | Elsevier | |
dc.subject.en | Phosphates | |
dc.subject.en | Phase transition | |
dc.subject.en | Crystal structure | |
dc.subject.en | X-ray powder diffraction | |
dc.subject.en | Ab-initio structure solution | |
dc.title.en | Temperature induced phase transition of CaMn0.5Zr1.5(PO4)3 phosphate | |
dc.type | Article de revue | |
dc.identifier.doi | 10.1016/j.jssc.2015.12.014 | |
dc.subject.hal | Chimie/Chimie inorganique | |
bordeaux.journal | Journal of Solid State Chemistry | |
bordeaux.page | 36-42 | |
bordeaux.volume | 235 | |
bordeaux.peerReviewed | oui | |
hal.identifier | hal-01253173 | |
hal.version | 1 | |
hal.popular | non | |
hal.audience | Internationale | |
hal.origin.link | https://hal.archives-ouvertes.fr//hal-01253173v1 | |
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