N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4105 | 0.7500 | 0.2798 | 0.0000 | Si |
2 | 0.0803 | 0.2500 | 0.1059 | 0.0000 | Si |
3 | 0.1596 | 0.2500 | 0.4349 | 0.0000 | Si |
4 | 0.2491 | 0.9975 | 0.1882 | 0.0000 | Al |
5 | 0.1057 | 0.7500 | 0.3002 | 0.0000 | Al |
6 | 0.3657 | 0.2500 | 0.4360 | 0.0000 | Ca |
7 | 0.4540 | 0.2500 | 0.1118 | 0.0000 | Ca |
8 | 0.1288 | 0.9951 | 0.1471 | 0.0000 | O |
9 | 0.1005 | 0.0146 | 0.4314 | 0.0000 | O |
10 | 0.3591 | 0.9927 | 0.2430 | 0.0000 | O |
11 | 0.2187 | 0.7500 | 0.3040 | 0.0000 | O |
12 | 0.2269 | 0.2500 | 0.3123 | 0.0000 | O |
13 | 0.2702 | 0.7500 | 0.0596 | 0.0000 | O |
14 | 0.9907 | 0.2500 | 0.1665 | 0.0000 | O |
15 | 0.9962 | 0.7500 | 0.2999 | 0.0000 | O |
16 | 0.4217 | 0.7500 | 0.4422 | 0.0000 | O |
17 | 0.2633 | 0.2500 | 0.0679 | 0.0000 | OH |