N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.8901 | 0.0506 | 0.0075 | 0.0000 | Fe=0.9700, Mg=0.0300 |
2 | 0.8900 | 0.0511 | 0.4926 | 0.0000 | Fe=0.9600 |
3 | 0.9407 | 0.7400 | 0.2498 | 0.0000 | Fe=0.9500 |
4 | 0.0097 | 0.0294 | 0.7462 | 0.0000 | O |
5 | 0.9367 | 0.2724 | 0.0168 | 0.0000 | O |
6 | 0.9362 | 0.2726 | 0.4830 | 0.0000 | O |
7 | 0.5849 | 0.1008 | 0.2515 | 0.0000 | O |
8 | 0.6018 | 0.0255 | 0.7506 | 0.0000 | O |
9 | 0.8129 | 0.3702 | 0.7508 | 0.0000 | Ca |
10 | 0.9595 | 0.3687 | 0.2498 | 0.0000 | Si |
11 | 0.6794 | 0.2273 | 0.2505 | 0.0000 | Si |
12 | 0.7774 | 0.1095 | 0.2515 | 0.0000 | O |
13 | 0.6709 | 0.3294 | 0.0188 | 0.0000 | O |
14 | 0.6707 | 0.3302 | 0.4813 | 0.0000 | O |
15 | 0.7980 | 0.1092 | 0.7487 | 0.0000 | O |
16 | 0.7368 | 0.0734 | 0.7501 | 0.0000 | H |