N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4035 | 0.2500 | 0.5271 | 0.0000 | V |
2 | 0.0812 | 0.2500 | 0.3842 | 0.0000 | Ca |
3 | 0.0929 | 0.0337 | 0.1850 | 0.0000 | Si |
4 | 0.3145 | 0.0431 | 0.3948 | 0.0000 | Si |
5 | 0.0848 | 0.1505 | 0.1792 | 0.0000 | O |
6 | 0.2935 | 0.1577 | 0.4136 | 0.0000 | O |
7 | 0.4456 | 0.0197 | 0.2959 | 0.0000 | O |
8 | 0.1657 | 0.9893 | 0.0447 | 0.0000 | O |
9 | 0.1815 | 0.9955 | 0.3184 | 0.0000 | O |
10 | 0.5529 | 0.2500 | 0.4574 | 0.0000 | O |
11 | 0.9463 | 0.1186 | 0.4706 | 0.0000 | H2O |
12 | -0.1211 | 0.1117 | 0.4266 | 0.0000 | H |
13 | -0.0728 | 0.0887 | 0.5460 | 0.0000 | H |
14 | 0.1325 | 0.2500 | 0.6393 | 0.0000 | H2O |
15 | 0.1283 | 0.2993 | 0.6935 | 0.0000 | H |
16 | 0.8114 | 0.2500 | 0.2868 | 0.0000 | H2O |
17 | -0.2705 | 0.2500 | 0.3162 | 0.0000 | H |
18 | -0.2020 | 0.2500 | 0.1970 | 0.0000 | H |