N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.9971 | 0.0000 | 0.4714 | 0.0000 | Ca |
2 | 0.1970 | 0.1356 | 0.0004 | 0.0000 | Ca |
3 | 0.9908 | 0.2509 | 0.4863 | 0.0000 | Ca |
4 | 0.7731 | 0.1447 | 0.9757 | 0.0000 | Ca |
5 | 0.7187 | 0.1040 | 0.4209 | 0.0000 | Si |
6 | 0.4889 | 0.1765 | 0.9845 | 0.0000 | Si |
7 | 0.2650 | 0.1042 | 0.5548 | 0.0000 | Si |
8 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | C |
9 | 0.8491 | 0.1233 | 0.3785 | 0.0000 | O |
10 | 0.7268 | 0.0000 | 0.5009 | 0.0000 | O |
11 | 0.5921 | 0.1087 | 0.1720 | 0.0000 | O |
12 | 0.6896 | 0.1616 | 0.5955 | 0.0000 | O |
13 | 0.5750 | 0.2349 | 0.8899 | 0.0000 | O |
14 | 0.3974 | 0.2274 | 0.0793 | 0.0000 | O |
15 | 0.3986 | 0.1046 | 0.7953 | 0.0000 | O |
16 | 0.2925 | 0.1614 | 0.3796 | 0.0000 | O |
17 | 0.1392 | 0.1270 | 0.6063 | 0.0000 | O |
18 | 0.2448 | 0.0000 | 0.4689 | 0.0000 | O |
19 | 0.9760 | 0.0722 | 0.0673 | 0.0000 | O |
20 | 0.0601 | 0.0000 | 0.8750 | 0.0000 | O |
21 | 0.3451 | 0.0000 | 0.1331 | 0.0000 | O |
22 | 0.6566 | 0.0000 | 0.8528 | 0.0000 | O |
23 | 0.2860 | 0.0000 | 0.2050 | 0.0000 | H |
24 | 0.4337 | 0.0000 | 0.2541 | 0.0000 | H |
25 | 0.6503 | 0.0000 | 0.7039 | 0.0000 | H |
26 | 0.5649 | 0.0000 | 0.8321 | 0.0000 | H |