N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1894 | 0.6745 | 0.0990 | 0.0000 | Ca |
2 | 0.7177 | 0.1796 | 0.1391 | 0.0000 | Al |
3 | 0.2545 | 0.1454 | 0.2484 | 0.0000 | Na |
4 | 0.5496 | 0.4643 | 0.1267 | 0.0000 | F |
5 | 0.9880 | 0.3651 | 0.1563 | 0.0000 | F |
6 | 0.4408 | 0.0102 | 0.1273 | 0.0000 | F |
7 | 0.9039 | -0.0834 | 0.1576 | 0.0000 | F |
8 | 0.6873 | 0.1985 | 0.2497 | 0.0000 | F |
9 | 0.7357 | 0.1668 | 0.0294 | 0.0000 | F |
10 | 0.8008 | 0.6599 | 0.0059 | 0.0000 | H2O |
11 | 0.7350 | 0.6220 | 0.0583 | 0.0000 | H |
12 | 0.7490 | 0.8216 | -0.0127 | 0.0000 | H |