Wyckoff positions, atomic coordinates, and occupancies of Cu2−xSbxGa4Te7.
| Compositions | Atom | Site | x | y | z | B iso (Å2) | Occupancy |
|---|---|---|---|---|---|---|---|
| x = 0 | Cu | 4b | 0 | 0 | 0.5 | 0.5(2) | 0.714(1) |
| Ga | 4a | 0 | 0 | 0 | 0.9(2) | 1 | |
| Te | 8d | 0.265(6) | 0.25 | 0.125 | 1.22(2) | 1 | |
| x = 0.05 | Cu | 4b | 0 | 0 | 0.5 | 0.9(3) | 0.696(1) |
| Sb | 4b | 0 | 0 | 0.5 | 0.9(3) | 0.018(1) | |
| Ga | 4a | 0 | 0 | 0 | 0.9(2) | 1 | |
| Te | 8d | 0.2643(7) | 0.25 | 0.125 | 1.29(3) | 1 | |
| x = 0.1 | Cu | 4b | 0 | 0 | 0.5 | 1.3(2) | 0.68(1) |
| Sb | 4b | 0 | 0 | 0.5 | 1.3(2) | 0.034(1) | |
| Ga | 4a | 0 | 0 | 0 | 0.9(1) | 1 | |
| Te | 8d | 0.2645(8) | 0.25 | 0.125 | 1.10(2) | 1 |