Summary of the irreps involved in the symmetry breaking from the totally symmetric, cubic, space group ( P m \overline{3} m) to the room temperature P b n m orthorhombic space group and R \overline{3} c trigonal space group.The list is part of the output of the AMPLIMODES for FullProf. The number in parenthesis indicate the number of modes transforming according to the irrep.
| Atoms | WP | Modes |
|---|---|---|
| P m \overline{3} m \rightarrow P b n m | ||
| O1 | 3d | \mathrm{R}^{4+}(1) \mathrm{R}^{5+}(1) \mathrm{X}^{5+}(1) \mathrm{M}^{2+}(1) \mathrm{M}^{3+}(1) |
| Sr1/Ln1 | 1 b | \mathrm{R}^{5+}(1) \mathrm{X}^{5+}(1) |
| P m \overline{3} m \rightarrow R \overline{3} c | ||
| O1 | 3d | \mathbf{R}^{4+} (1) |