N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4080 | 0.2500 | 0.5261 | 0.0000 | V |
2 | 0.0863 | 0.2500 | 0.3827 | 0.0000 | Ca |
3 | 0.0933 | 0.0340 | 0.1848 | 0.0000 | Si |
4 | 0.3150 | 0.0433 | 0.3947 | 0.0000 | Si |
5 | 0.0843 | 0.1508 | 0.1791 | 0.0000 | O |
6 | 0.2950 | 0.1579 | 0.4153 | 0.0000 | O |
7 | 0.4457 | 0.0188 | 0.2964 | 0.0000 | O |
8 | 0.1654 | 0.9896 | 0.0446 | 0.0000 | O |
9 | 0.1817 | 0.9968 | 0.3184 | 0.0000 | O |
10 | 0.5553 | 0.2500 | 0.4557 | 0.0000 | O |
11 | 0.9388 | 0.1231 | 0.4635 | 0.0000 | H2O |
12 | -0.1294 | 0.1168 | 0.4201 | 0.0000 | H |
13 | -0.0801 | 0.0936 | 0.5387 | 0.0000 | H |
14 | 0.1128 | 0.2500 | 0.6393 | 0.0000 | H2O |
15 | 0.1083 | 0.2993 | 0.6932 | 0.0000 | H |
16 | 0.8098 | 0.2500 | 0.2950 | 0.0000 | H2O |
17 | -0.2717 | 0.2500 | 0.3235 | 0.0000 | H |
18 | -0.2046 | 0.2500 | 0.2052 | 0.0000 | H |