perovskite atlas Structures, modes and phase transitions · Josu M. Igartua · UPV/EHU

Plates · Thesis 4 · Orayech 2015

Plates · Thesis 4 · Orayech 2015

Document
Study of crystal structures and phase transitions in perovskite-type oxides using powder-diffraction techniques and symmetry-mode analysis
Plates
90
Tables
20

Figures

Tables

table caption
Table 2.1 Last temperature treatment (\mathrm{K}) and duration (\mathrm{h}) for the \mathrm{A}_{2} \mathrm{MSbO}_{6} compounds.
Table 4.3 Summary of the symmetry mode decomposition, with respect to the ideal cubic perovskite F m \overline{3} m, of the room temperature monoclinic phase ( P 2_{1} / n…
Table 4.4 Input information for AMPLIMODES: high-symmetry phase information (virtual prototype structure), low-symmetry structure information and transformation matrix. A…
Table 4.5 lists the number of basis symmetry modes and their irreps, that describe the
Table 4.5-2 lists the number of basis symmetry modes and their irreps, that describe the
Table 5.1 Input information for AMPLIMODES for FullProf: high-symmetry phase information (virtual prototype structure), low-symmetry structure information and transformat…
Table 5.2 Summary of the irreps taking part in the symmetry breaking from, space group ( P m \overline{3} m) to the orthorhombic A m m 2, the rhombohedral R 3 c, th…
Table 5.3 Values after the refinement of the amplitudes (in Å) of the irreps modes, transforming according to the listed irreps, taking part in the symmetry breaking from…
Table 5.4 Crystal structure data and refinement results for \mathrm{Na}_{0.5} \mathrm{K}_{0.5} \mathrm{NbO}_{3} determined using neutron diffraction data at 10 K using…
Table 6.4 Main bond-distances ( \AA) for \mathrm{La}_{2} \mathrm{CoMnO}_{6} obtained at different temperatures from NPD (D1B, ILL) data using the space group P 2_{1} / n…
Table 7.1 Atomic displacement parameters of the forty materials of the \mathrm{Sr}_{2} \mathrm{MM}^{\prime} \mathrm{O}_{6}\left(\mathrm{M}^{\prime}=\mathrm{W}, \mathrm{Mo}, \mathrm{Sb}, \mathrm{Ru}\right.…
Table 8.1 Preparation conditions of \mathrm{A}_{2} \mathrm{MSbO}_{6} compounds. The data shown are as follows: Ionic radii in { }^{3}; \Delta \mathrm{r}=\left|r_{M^{3+}}-r_{S b^{5+}}\right|…
Table 8.2 Crystal structure data and refinement results, at room temperature for \mathrm{Sr}_{2} \mathrm{MSbO}_{6}; \mathrm{M}=\mathrm{Ln}(\mathrm{Nd}, \mathrm{Eu}, \mathrm{Gd}, \mathrm{Dy}, \mathrm{Ho}, \mathrm{Er}, \mathrm{Tm}, \mathrm{Yb})…
Table 9.1 Input information for AMPLIMODES for FullProf: high-symmetry phase information (prototype structure), low-symmetry structure information and transformation matr…
Table 9.2 Amplitudes of the modes (in \AA) of the irreps taking part in the symmetry breaking from F m \overline{3} m space group to the monoclinic space groups P 2_{1} / n…
Table 9.3 Crystal structure data and refinement results for \mathrm{Sr}_{2} \mathrm{Co}_{1-x} \mathrm{Mg}_{x} \mathrm{TeO}_{6}(x=0.0,0.1,0.2 and 0.5) from NPD at room…
Table 9.4 Main bond distances ( \AA) and selected angles ( { }^{\circ}) for \mathrm{Sr}_{2} \mathrm{Co}_{1-x} \mathrm{Mg}_{x} \mathrm{TeO}_{6}(x=0.0,0.1,0.2 and 0.5…
Table 10.2 Main bond distances ( \AA), selected angles ( { }^{\circ}), and \Phi\left(\Phi^{\prime}\right) and \Psi\left(\Psi^{\prime}\right) tilt angles, for \mathrm{Sr}_{2} \mathrm{Ni}_{1-x} \mathrm{Mg}_{x} \mathrm{TeO}_{6}(x=0.0,0.1,0.2,0.3…
Table 10.4 Crystal structure data and refinement results, at room temperature for \mathrm{Ca}_{2} \mathrm{MSbO}_{6}; \mathrm{M}=\mathrm{Ln}(\mathrm{Nd}, \mathrm{Eu}, \mathrm{Gd}, \mathrm{Dy}, \mathrm{Ho}, \mathrm{Er}, \mathrm{Tm}, \mathrm{Yb})…
Table 10.5 The possible materials and their corresponding phase-transitions sequences.