Temperature and composition induced phase transitions in Sr2−xCa1+xTeO6 (0 ≤ x ≤ 2) double perovskite oxides

Structures of Sr2−xCa1+xTeO6 double perovskites have been studied by the profile analysis of X-ray diffraction data and Raman spectroscopy at room temperature. This series adopts a monoclinic symmetry for the compositions (0 ≤ x ≤ 0.5) with P21/n as space group and a triclinic system with P1¯ space group for the compositions (0.5 < x ≤ 2). These results were confirmed by the observed tolerance factor calculated from the distances obtained from the Rietveld refinements which indicates that the true tilt system for the compositions range (0.5 < x ≤ 2) is the triclinic tilt system. Clear changes in the Raman modes centered at 600, 610 and 620 cm−1 and the FWHM of OTeO bending vibrations, centered at 738 cm−1 confirmed that the triclinic symmetry takes place between the compositions x = 0.5 and x = 1. Furthermore, Raman spectroscopy studies at high temperature were done for Ca3TeO6. For this compound, considerable changes in the temperature dependence of the modes were well illustrated.