N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3667 | 0.2500 | 0.4375 | 0.0000 | Ca |
2 | 0.4519 | 0.2500 | 0.1152 | 0.0000 | Ca |
3 | 0.2497 | 0.9966 | 0.1898 | 0.0000 | Al |
4 | 0.1061 | 0.7500 | 0.3004 | 0.0000 | Al |
5 | 0.4109 | 0.7500 | 0.2828 | 0.0000 | Si |
6 | 0.0816 | 0.2500 | 0.1059 | 0.0000 | Si |
7 | 0.1603 | 0.2500 | 0.4355 | 0.0000 | Si |
8 | 0.1305 | 0.9987 | 0.1459 | 0.0000 | O |
9 | 0.1013 | 0.0130 | 0.4302 | 0.0000 | O |
10 | 0.3590 | 0.9901 | 0.2447 | 0.0000 | O |
11 | 0.2188 | 0.7500 | 0.3004 | 0.0000 | O |
12 | 0.2277 | 0.2500 | 0.3120 | 0.0000 | O |
13 | 0.2718 | 0.7500 | 0.0599 | 0.0000 | O |
14 | 0.9914 | 0.2500 | 0.1633 | 0.0000 | O |
15 | 0.9967 | 0.7500 | 0.2939 | 0.0000 | O |
16 | 0.4203 | 0.7500 | 0.4439 | 0.0000 | O |
17 | 0.2679 | 0.2500 | 0.0750 | 0.0000 | OH |
18 | 0.2696 | 0.2500 | 0.9779 | 0.0000 | H |