| Compound | La3Ni2O7 |
| Space group | I4/mmm (#139) |
| Orbitals | Ni_d |
| k point | X [0.0, 0.0, 0.5] (primitive) |
| k point | X [0.5, 0.5, 0.0] (conventional) |
| Display cell | conventional (I centring), 2 x 2 x 1 cells |
| Bonds | Ni–O ≤ 3 Å |
| Basis form | real coefficients |
| Mode | Irrep | Comp. |
|---|---|---|
| 1 | X1+(1) | 1 |
| 2 | X1+(1) | 1 |
| 3 | X1-(1) | 1 |
| 4 | X3+(1) | 1 |
| 5 | X3-(1) | 1 |
| 6 | X4+(1) | 1 |
| 7 | X4-(1) | 1 |
| 8 | X2+(1) | 1 |
| 9 | X2-(1) | 1 |
| 10 | X2-(1) | 1 |