Input information for AMPLIMODES for FullProf: high-symmetry phase (prototype structure), low-symmetry structure information and transformation matrix. P 2_{1} / n, R \overline{3} (ITA no.148), and F m \overline{3} m (ITA no. 225). Second part of the table is a resume of the irreps taking part in the symmetry breaking from cubic Fm \overline{3} m to the monoclinic P 2_{1} / n and R \overline{3}. The numbers in parenthesis indicate the number of modes transforming according to the irrep. The modes marked in bold character are the primary ones
| High-symmetry structure: \operatorname{Fm} \overline{3} m\left(a^{0} a^{0} a^{0}\right)^{9,10} | |||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 225 | |||||||||||||||
| 7.92007 .92007 .920090 .0090 .0090 .00 | |||||||||||||||
| 4 | |||||||||||||||
| Mn | 1 | 4 a | 0 | 0 | 0 | ||||||||||
| Co | 1 | 4 b | 1/2 | 1/2 | 1/2 | ||||||||||
| La | 1 | 8 c | 1/4 | 1/4 | 1/4 | ||||||||||
| O | 24 e | 0.2471 | 0 | 0 | |||||||||||
| Low-symmetry cell: P 2_{1} / n\left(a^{-} a^{-} b^{+}\right)^{9,10} | Low-symmetry cell: R \overline{3}\left(a^{-} a^{-} a^{-}\right)^{9,10} | ||||||||||||||
| 014 | 148 | ||||||||||||||
| 5.52515 .48757 .77869089 .9490 | 5.614945 .6149413 .709690 .0090 .00120 .00 | ||||||||||||||
| 6 | 4 | ||||||||||||||
| Mn | 1 | 2 a | 0 | 0 | 0 | Mn | 0 | 0 | 0 | ||||||
| Co | 1 | 2 b | 0 | 0 | 1/2 | Co | 0 | 0 | 1/2 | ||||||
| La | 1 | 4 e | -0.0066 | 0.4645 | 0.7499 | La | 0 | 0 | 0.2467 | ||||||
| O | 1 | 4 e | -0.2771 | 0.2168 | -0.0362 | O | 0.6645 | 0.8735 | 0.0781 | ||||||
| O | 2 | 4 e | -0.7982 | 0.2942 | 0.0400 | ||||||||||
| O | 4 e | 0.0753 | 0.0128 | 0.7580 | |||||||||||
| Transformation matrix | Transformation matrix | ||||||||||||||
| \left(\begin{array}{ccc\ | c}1 / 2 & 1 / 2 & 0 & 0 \\ -1 / 2 & 1 / 2 & 0 & 0 \\ 0 & 0 & 1 & 0\end{array}\right) | \left(\begin{array}{ccc\ | c}-1 / 2 & 0 & 1 & 0 \\ 1 / 2 & -1 / 2 & 1 & 0 \\ 0 & 1 / 2 & 1 & 0\end{array}\right) | ||||||||||||||
| F m \overline{3} m \rightarrow P 2_{1} / n | |||||||||||||||
| O1 24 e \quad \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) | |||||||||||||||
| F m \overline{3} m \rightarrow R \overline{3} | |||||||||||||||
| O1 24e \mathrm{GM}_{1}{ }^{+}(1) \mathbf{G M}_{\mathbf{4}}{ }^{+}(\mathbf{1}) \mathrm{GM}_{5}{ }^{+}(1) | |||||||||||||||
| La1 | 8 e | \mathrm{GM}_{5}{ }^{+}(1) |