Table 5. Atomic sites for the trigonal γ-In2S3 .
| Atom | Wickoff | x | y | z | U iso | Occ. |
|---|---|---|---|---|---|---|
| S1 | 2d | 1/3 | 2/3 | 0.3359 (7) | 0.054 (4) | 1.0 |
| S2 | 1a | 0 | 0 | 0 | 0.091 (5) | 1.0 |
| In1 | 2d | 1/3 | 2/3 | 0.8085 (3) | 0.0510 (9) | 0.829 (10) |
| In2 | 2d | 1/3 | 2/3 | 0.6485 (12) | 0.064 (6) | 0.144 (3) |
| Atom | Wickoff | x | y | z | U iso | Occ. |
|---|---|---|---|---|---|---|
| S1 | 2d | 1/3 | 2/3 | 0.3359 (7) | 0.054 (4) | 1.0 |
| S2 | 1a | 0 | 0 | 0 | 0.091 (5) | 1.0 |
| In1 | 2d | 1/3 | 2/3 | 0.8085 (3) | 0.0510 (9) | 0.829 (10) |
| In2 | 2d | 1/3 | 2/3 | 0.6485 (12) | 0.064 (6) | 0.144 (3) |