N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0252 | 0.2500 | 0.1385 | 0.9000 | U |
2 | 0.5410 | 0.5480 | 0.1530 | 4.4000 | K |
3 | 0.9330 | 0.2500 | 0.6370 | 0.9000 | Si |
4 | 0.2900 | 0.2500 | 0.1470 | 0.6000 | O |
5 | 0.2270 | 0.7500 | 0.8850 | 3.9000 | O |
6 | 0.0220 | -0.0790 | 0.1940 | 4.7000 | O |
7 | -0.0220 | 0.0790 | -0.1940 | 4.7000 | O |
8 | 0.0600 | 0.2500 | 0.4840 | 0.9000 | O |
9 | 0.2940 | 0.7500 | 0.4900 | 3.7000 | O |
10 | 0.4000 | 0.4130 | 0.6890 | 2.3000 | H2O |