N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0872 | 0.5000 | 0.0000 | Mg=0.9788, Fe=0.0212 |
2 | 0.0000 | 0.1775 | 0.0000 | 0.0000 | Mg |
3 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Mg=0.9749, Fe=0.0251 |
4 | 0.0000 | 0.2599 | 0.5000 | 0.0000 | Mg=0.7226, Fe=0.2773 |
5 | 0.2846 | 0.0848 | 0.1733 | 0.0000 | Si=0.9970, Si=0.0040 |
6 | 0.2934 | 0.1709 | 0.6703 | 0.0000 | Si=0.9930, Si=0.0080 |
7 | 0.1128 | 0.0867 | 0.1666 | 0.0000 | O |
8 | 0.1214 | 0.1746 | 0.6699 | 0.0000 | O |
9 | 0.1128 | 0.0000 | 0.6656 | 0.0000 | O |
10 | 0.1211 | 0.2526 | 0.1834 | 0.0000 | O |
11 | 0.3436 | 0.1199 | 0.4330 | 0.0000 | O |
12 | 0.3489 | 0.1324 | 0.9374 | 0.0000 | O |
13 | 0.3414 | 0.0000 | 0.1502 | 0.0000 | O |
14 | 0.2250 | 0.0000 | 0.6820 | 0.0000 | H |
15 | 0.5000 | 0.0000 | 0.5000 | 0.0000 | Na=0.0480 |