N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0765 | 0.2500 | 0.0533 | 0.5600 | Sb |
2 | 0.4942 | 0.2500 | 0.7451 | 0.7000 | Ti |
3 | 0.5070 | 0.1297 | 0.2470 | 0.6600 | Fe |
4 | 0.8076 | 0.0587 | 0.8690 | 0.6400 | Fe=0.4300 |
5 | 0.8187 | -0.0648 | 0.3756 | 0.6500 | Fe=0.5700, Ti=0.4300 |
6 | 0.3516 | 0.2500 | 0.0252 | 0.7300 | O |
7 | 0.6780 | -0.0462 | -0.0114 | 0.5900 | O |
8 | 0.6608 | 0.1523 | -0.0334 | 0.7100 | O |
9 | 0.0006 | 0.1499 | 0.7645 | 0.6800 | O |
10 | 0.0004 | 0.0375 | 0.2508 | 0.5500 | O |
11 | 0.6807 | 0.0438 | 0.4969 | 0.5900 | O |
12 | 0.3356 | 0.1528 | 0.5157 | 0.7000 | O |
13 | 0.6408 | 0.2500 | 0.4657 | 0.5600 | OH |