N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3084 | 0.3193 | 0.0000 | 1.2000 | Fe=0.7500, Sb=0.2500 |
2 | 0.0000 | 0.5000 | 0.3752 | 0.3200 | Fe |
3 | 0.0000 | 0.5000 | 0.1239 | 0.3600 | Fe=0.7500, Zn=0.2500 |
4 | 0.1711 | 0.1671 | 0.2450 | 0.2300 | Sb=0.9000, As=0.1000 |
5 | 0.3303 | 0.3292 | 0.5000 | 0.3800 | Sb=0.9000, As=0.1000 |
6 | 0.5000 | 0.5000 | 0.0000 | 1.1500 | (S)=0.8000 |
7 | 0.3610 | 0.0993 | 0.5000 | 0.3000 | O |
8 | 0.4003 | 0.1360 | 0.2438 | 0.2700 | O |
9 | 0.3234 | 0.8176 | 0.3764 | 0.9300 | O |
10 | 0.1855 | 0.3428 | 0.1357 | 0.7200 | O |
11 | 0.6070 | 0.8915 | 0.0000 | 0.6600 | O |