0000000000364582
AUTHOR
Hanna Rahiala
Characterization of the non-stoichiometry in lanthanum oxyfluoride by FT-IR absorption, Raman scattering, X-ray powder diffraction and thermal analysis
Abstract The FT-IR absorption, FT-Raman scattering, X-ray powder diffraction (XPD), and thermogravimetry were used to explore the non-stoichiometry in LaOF. The TGA-DTA analyses between 30 and 1500°C showed that the LaO1 − xF1 + 2x phases yielded the stoichiometric LaOF as an intermediate product. The temperature of formation of the LaOF and La2O3 increased with increasing excess of fluoride. The room temperature XPD data in 6.5 ⩽ 2θ ⩽ 121° range were analyzed by the Rietveld profile refinement method and subsequently by the bond valence calculations. All LaO1 − xF1 + 2x phases possess the tetragonal PbFCl-type structure (space group: P4/nmm; Z = 2) while the stoichiometric LaOF has the hex…
X-ray powder diffraction study of the stability of solid solutions in (La1−xGdx)OCl
The formation of the solid solutions in the (La1−xGdx)OCl series was studied by X-ray powder diffraction (XPD) at room temperature in the 2θ region between 6.5 and 120°. The Rietveld profile refinement analyses of the XPD patterns were carried out with the background, unit cell, atomic position, isotropic temperature, and Gaussian profile form parameters refined freely. All (La1−xGdx)OCl samples possessed the tetragonal PbFCl-type structure with P4/nmm as the space group (Z=2). The unit cell parameters a and c evolve smoothly through the series and no clustering of the Gd3+ ions was observed according to Vegard's law. The solid solubility exists throughout the whole series. The valence bond…
Stability of non-stoichiometric laof phases: x-ray diffraction investigation
Summary The X-ray diffraction patterns of the polycrystalline LaO 1−x F 1+2x (0.05≤x≤0.3) phases were measured at room temperature and analyzed by the Rietveld profile refinement method. All compounds crystallize in the tetragonal PbFCl-type structure with P4/nmm as the space group. No distortion to lower orthorhombic symmetry was observed. The tetragonal lattice parameters a and c increase with increasing excess of fluoride. The La-oxygen (La-fluorine) distances first decrease (increase) but then these trends are reversed. The Global Instability Index calculated from the bond valence model increases towards the higher fluoride content of the compounds indicating decreasing stability