N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5000 | 0.0000 | 0.5000 | 0.0000 | Mg |
2 | 0.2742 | 0.9463 | 0.4973 | 0.0000 | Mg |
3 | 0.1699 | 0.1401 | 0.0109 | 0.0000 | Mg |
4 | 0.3882 | 0.2502 | 0.5085 | 0.0000 | Mg |
5 | 0.0434 | 0.8764 | 0.4921 | 0.0000 | Mg=0.8960, Ti=0.1040 |
6 | 0.3896 | 0.0664 | 0.0730 | 0.0000 | Si |
7 | 0.8352 | 0.1769 | 0.0764 | 0.0000 | Si |
8 | 0.3880 | 0.0643 | 0.7331 | 0.0000 | O |
9 | 0.3877 | 0.4195 | 0.2785 | 0.0000 | O |
10 | 0.2933 | 0.1122 | 0.2227 | 0.0000 | O |
11 | 0.4864 | 0.1586 | 0.2217 | 0.0000 | O |
12 | 0.1628 | 0.3229 | 0.2358 | 0.0000 | O |
13 | 0.1628 | 0.9686 | 0.7778 | 0.0000 | O |
14 | 0.2622 | 0.2797 | 0.7244 | 0.0000 | O |
15 | 0.0698 | 0.2274 | 0.7274 | 0.0000 | O |
16 | 0.0549 | 0.0458 | 0.2616 | 0.0000 | OH=0.4400, F=0.5400 |
17 | 0.0116 | 0.0120 | 0.0880 | 0.0000 | H=0.4000 |