1. ChemInform Abstract: Temperature Induced Phase Transition of CaMn0.5Zr1.5(PO4)3Phosphate
- Author
-
Martina Tribus, Albina Orlova, Petr Salnikov, Benoit Glorieux, Lukas Perfler, and Maria Orlova
- Subjects
chemistry.chemical_classification ,Phase transition ,Coordination number ,General Medicine ,Divalent ,Bond length ,symbols.namesake ,Crystallography ,chemistry ,Phase (matter) ,symbols ,Raman spectroscopy ,Luminescence ,Powder diffraction - Abstract
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) A, c=22.6496(7) A, V=1514.8(1) A3). The high temperature form in turn has orthorhombic symmetry (space group Pnma, a=6.2350(3) A, b=6.6281(3) A, c=14.4731(6) A, V=598.13(5) A3). 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.
- Published
- 2016
- Full Text
- View/download PDF