Table 1. The dimensions and global amplitudes of distortive modes observed in the Pmca and Pmc21 structures.
The q vector basis refers to the Ammm and pseudo-cubic perovskite structures.
| Wavevector q | Dimension | A τ (Å) | |||||
|---|---|---|---|---|---|---|---|
| Ammm | Pseudo-cubic | q i | Irrep | Pmca | Pmc21 | Pmca | Pmc21 |
| [0 0 0]* | [0 0 0]p* | q 0 | Γ4− | 5 | 0.21 | ||
| [1/4 0 0]* | [0 0 1/4]p* | q 1 | Λ1 | 4 | 0.09 | ||
| [1/4 0 0]* | [0 0 1/4]p* | q 2 | Λ3 | 5 | 5 | 0.48 | 0.47 |
| [0 1 0]* | [1/2 1/2 0]p* | q 3 | Y2+ | 2 | 0.17 | ||
| [0 1 0]* | [1/2 1/2 0]p* | q 4 | Y3− | 3 | 3 | 0.16 | 0.16 |
| [1/2 0 0]* | [0 0 1/2]p* | q 5 | Z3+ | 2 | 0.03 | ||
| [1/2 0 0]* | [0 0 1/2]p* | q 6 | Z2− | 2 | 2 | 0.04 | 0.02 |
| [1/2 1 0]* | [1/2 1/2 1/2]p* | q 7 | T4+ | 3 | 3 | 1.23 | 1.22 |
| [1/4 1 0]* | [1/2 1/2 1/4]p* | q 8 | H2 | 2 | 2 | 1.00 | 0.97 |
| [1/4 1 0]* | [1/2 1/2 1/4]p* | q 9 | H4 | 4 | 0.11 | ||