N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1331 | 0.7938 | 0.7834 | 0.0000 | Ca |
2 | 0.3695 | 0.7942 | 0.2873 | 0.0000 | Ca |
3 | 0.1202 | 0.4759 | 0.2495 | 0.0000 | Ca |
4 | 0.3829 | 0.4792 | 0.7448 | 0.0000 | Ca |
5 | 0.4266 | 0.2404 | 0.2146 | 0.0000 | Si |
6 | 0.0701 | 0.2397 | 0.7325 | 0.0000 | Si |
7 | 0.2512 | 0.6181 | 0.0250 | 0.0000 | O |
8 | 0.2478 | 0.6253 | 0.5061 | 0.0000 | O |
9 | 0.0422 | 0.0381 | 0.7002 | 0.0000 | O |
10 | 0.4580 | 0.0368 | 0.1963 | 0.0000 | O |
11 | 0.2797 | 0.2678 | 0.1841 | 0.0000 | O |
12 | 0.2192 | 0.2708 | 0.7593 | 0.0000 | O |
13 | 0.0162 | 0.3280 | 0.4952 | 0.0000 | O |
14 | 0.0018 | 0.3152 | 0.9596 | 0.0000 | O |
15 | 0.1945 | 0.9564 | 0.1642 | 0.0000 | O |
16 | 0.3094 | 0.9579 | 0.6487 | 0.0000 | O |
17 | 0.4935 | 0.6830 | 0.9870 | 0.0000 | O |
18 | 0.4795 | 0.3190 | 0.4624 | 0.0000 | O |