N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5000 | 0.0000 | 0.5000 | 0.0000 | Mg |
2 | 0.2742 | 0.9462 | 0.4971 | 0.0000 | Mg |
3 | 0.1698 | 0.1403 | 0.0107 | 0.0000 | Mg |
4 | 0.3882 | 0.2497 | 0.5084 | 0.0000 | Mg |
5 | 0.0435 | 0.8768 | 0.4921 | 0.0000 | Mg=0.8860, Ti=0.1140 |
6 | 0.3894 | 0.0663 | 0.0737 | 0.0000 | Si |
7 | 0.8350 | 0.1767 | 0.0758 | 0.0000 | Si |
8 | 0.3879 | 0.0642 | 0.7338 | 0.0000 | O |
9 | 0.3878 | 0.4193 | 0.2782 | 0.0000 | O |
10 | 0.2932 | 0.1122 | 0.2231 | 0.0000 | O |
11 | 0.4866 | 0.1586 | 0.2222 | 0.0000 | O |
12 | 0.1628 | 0.3228 | 0.2347 | 0.0000 | O |
13 | 0.1628 | 0.9689 | 0.7771 | 0.0000 | O |
14 | 0.2624 | 0.2797 | 0.7251 | 0.0000 | O |
15 | 0.0697 | 0.2270 | 0.7285 | 0.0000 | O |
16 | 0.0550 | 0.0459 | 0.2620 | 0.0000 | OH=0.5200, F=0.4900 |
17 | 0.0118 | 0.0118 | 0.0880 | 0.0000 | H=0.4100 |