N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4104 | 0.7500 | 0.2788 | 0.0000 | Si |
2 | 0.0799 | 0.2500 | 0.1048 | 0.0000 | Si |
3 | 0.1600 | 0.2500 | 0.4353 | 0.0000 | Si |
4 | 0.2485 | 0.9985 | 0.1865 | 0.0000 | Al |
5 | 0.1053 | 0.7500 | 0.2999 | 0.0000 | Al |
6 | 0.3651 | 0.2500 | 0.4353 | 0.0000 | Ca |
7 | 0.4554 | 0.2500 | 0.1094 | 0.0000 | Ca |
8 | 0.1278 | 0.9933 | 0.1466 | 0.0000 | O |
9 | 0.1015 | 0.0116 | 0.4328 | 0.0000 | O |
10 | 0.3586 | 0.9958 | 0.2390 | 0.0000 | O |
11 | 0.2191 | 0.7500 | 0.3038 | 0.0000 | O |
12 | 0.2275 | 0.2500 | 0.3113 | 0.0000 | O |
13 | 0.2690 | 0.7500 | 0.0576 | 0.0000 | O |
14 | 0.9899 | 0.2500 | 0.1712 | 0.0000 | O |
15 | 0.9947 | 0.7500 | 0.3050 | 0.0000 | O |
16 | 0.4204 | 0.7500 | 0.4420 | 0.0000 | O |
17 | 0.2605 | 0.2500 | 0.0646 | 0.0000 | OH |