Resume of the irreps taking part in the symmetry breaking from the totally symmetric, cubic, space group (F m \overline{3} m) to the room temperature P 2_{1} / n monoclinic and P 4_{2} / n tetragonal space group. The list is part of the output of AMPLIMODES for FullProf. The number in parenthesis indicate the number of modes transforming according to the irrep.
| Atoms | WP | Modes |
|---|---|---|
| F m \overline{3} m \rightarrow P 2_{1} / n | ||
| O1 | 24e | \mathrm{GM}^{1+}(1) \mathrm{GM}^{3+}(1) \mathrm{GM}^{4+}(1) \mathrm{GM}^{5+}(2) \mathrm{X}^{2+}(1) \mathrm{X}^{3+}(1) \mathrm{X}^{5+}(2) |
| Sr1/Nd1 | 8c | \mathrm{GM}^{5+}(2) \mathrm{X}^{5+}(1) |
| F m \overline{3} m \rightarrow P 4_{2} / n | ||
| O1 | 24e | \mathrm{GM}^{1+}(1) \mathrm{GM}^{3+}(1) \mathrm{GM}^{4+}(1) \mathrm{X}^{2+}(1) \mathrm{X}^{3+}(1) \mathrm{X}^{4+}(2) \mathrm{X}^{5+}(2) |
| Sr1/Nd1 | 8c | \mathrm{X}^{5+}(1) |