N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3266 | 0.4270 | 0.0162 | 0.7000 | Sb |
2 | 0.3850 | 0.2981 | -0.2615 | 0.5600 | As |
3 | 0.3973 | 0.3146 | -0.7039 | 0.4100 | As |
4 | 0.2373 | 0.2575 | -0.4916 | 0.4100 | Fe |
5 | 0.3272 | 0.3154 | -0.1225 | 1.0800 | O |
6 | 0.2527 | 0.4845 | -0.1007 | 0.5900 | O |
7 | 0.2468 | 0.3448 | 0.0806 | 0.8200 | O |
8 | 0.3049 | 0.3100 | -0.3738 | 0.9600 | O |
9 | 0.3020 | 0.3283 | -0.6317 | 0.7000 | O |
10 | 0.4201 | 0.4008 | -0.2883 | 1.1300 | O |
11 | 0.4544 | 0.3389 | -0.5612 | 0.8200 | O |
12 | 0.3493 | 0.4388 | -0.4768 | 0.4800 | Ca |