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 | |
| bordeaux.COinS | ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.jtitle=Journal%20of%20Solid%20State%20Chemistry&rft.date=2016&rft.volume=235&rft.spage=36-42&rft.epage=36-42&rft.eissn=0022-4596&rft.issn=0022-4596&rft.au=ORLOVA,%20Maria&PERFLER,%20Lukas&TRIBUS,%20Martina&SALNIKOV,%20Petr&GLORIEUX,%20Benoit&rft.genre=article |
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