Table S2.
Atomic coordinates and equivalent isotropic displacement parameters for La-438 at 296(2) K
| Atomic coordinates (SD) | |||||||||
| Label | Wyckoff position | I4/mmm | F4/mmm | Occupancy | Ueq*, Å2 (SD) | ||||
| x | y | z | x | y | z | ||||
| La(1) | 4e | 0 | 0 | 0.4339(1) | 0 | 0 | 0.4339(1) | 1 | 0.004(1) |
| La(2) | 4e | 0 | 0 | 0.2990(1) | 0 | 0 | 0.2990(1) | 1 | 0.004(1) |
| Ni(1) | 2a | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0.003(1) |
| Ni(2) | 4e | 0 | 0 | 0.1250(1) | 0 | 0 | 0.1250(1) | 1 | 0.005(1) |
| O(1) | 4c | 0 | 0.5 | 0 | 0.25 | 0.25 | 0 | 1 | 0.007(2) |
| O(2) | 8g | 0 | 0.5 | 0.1261(2) | 0.25 | 0.25 | 0.1261(2) | 1 | 0.007(2) |
| O(3) | 4d | 0 | 0.5 | 0.2500 | 0.25 | 0.25 | 0.2500 | 1 | 0.005(2) |
*Ueq is defined as one-third of the trace of the orthogonalized Uij tensor.