Refined structural parameters of 21P phase at 20 °C: space group P3̄m1, a = 4.1914(4) Å, c = 38.288(7) Å; wRp = 0.3407, χ2 = 1.357.
| Atom | Site | X | Y | z | Site occupancy | Uiso (Å2) |
|---|---|---|---|---|---|---|
| Te1 | 1a | 0 | 0 | 0 | 1 | 0.043(5) |
| Ge2/Ag2/Sb2 | 2d | 1/3 | 2/3 | 0.0449(13) | 0.7391/0.1304/0.1304 | 0.069(5) |
| Te3 | 2d | 2/3 | 1/3 | 0.0910(7) | 1 | 0.043(5) |
| Ge4/Ag4/Sb4 | 2c | 0 | 0 | 0.1393(8) | 0.7391/0.1304/0.1304 | 0.069(5) |
| Te5 | 2d | 1/3 | 2/3 | 0.1824(8) | 1 | 0.043(5) |
| Ge6/Ag6/Sb6 | 2d | 2/3 | 1/3 | 0.2314(9) | 0.7391/0.1304/0.1304 | 0.069(5) |
| Te7 | 2c | 0 | 0 | 0.2778(5) | 1 | 0.043(5) |
| Ge8/Ag8/Sb8 | 2d | 1/3 | 2/3 | 0.3245(9) | 0.7391/0.1304/0.1304 | 0.069(5) |
| Te9 | 2d | 2/3 | 1/3 | 0.3709(8) | 1 | 0.043(5) |
| Ge10/Ag10/Sb10 | 2c | 0 | 0 | 0.4219(8) | 0.7391/0.1304/0.1304 | 0.069(5) |
| Te11 | 2d | 1/3 | 2/3 | 0.4607(9) | 1 | 0.043(5) |