N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4108 | 0.7500 | 0.2828 | 0.0000 | Si |
2 | 0.0815 | 0.2500 | 0.1061 | 0.0000 | Si |
3 | 0.1603 | 0.2500 | 0.4355 | 0.0000 | Si |
4 | 0.2495 | 0.9971 | 0.1895 | 0.0000 | Al |
5 | 0.1060 | 0.7500 | 0.3005 | 0.0000 | Al |
6 | 0.3667 | 0.2500 | 0.4375 | 0.0000 | Ca |
7 | 0.4518 | 0.2500 | 0.1150 | 0.0000 | Ca |
8 | 0.1305 | 0.9998 | 0.1465 | 0.0000 | O |
9 | 0.1014 | 0.0132 | 0.4302 | 0.0000 | O |
10 | 0.3591 | 0.9917 | 0.2452 | 0.0000 | O |
11 | 0.2190 | 0.7500 | 0.3014 | 0.0000 | O |
12 | 0.2277 | 0.2500 | 0.3122 | 0.0000 | O |
13 | 0.2718 | 0.7500 | 0.0600 | 0.0000 | O |
14 | 0.9910 | 0.2500 | 0.1647 | 0.0000 | O |
15 | 0.9969 | 0.7500 | 0.2938 | 0.0000 | O |
16 | 0.4202 | 0.7500 | 0.4429 | 0.0000 | O |
17 | 0.2677 | 0.2500 | 0.0743 | 0.0000 | OH |