N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1413 | 0.0003 | 0.6598 | 0.0000 | NH4 |
2 | 0.1957 | 0.0026 | 0.6203 | 0.0000 | (H) |
3 | 0.1554 | -0.0011 | 0.8025 | 0.0000 | (H) |
4 | 0.1105 | 0.0801 | 0.6256 | 0.0000 | (H) |
5 | 0.1062 | -0.0601 | 0.6802 | 0.0000 | (H) |
6 | 0.1163 | 0.2500 | 0.1896 | 0.0000 | Fe |
7 | 0.1047 | 0.0106 | 0.1761 | 0.0000 | (Cl) |
8 | 0.0060 | 0.2500 | 0.4531 | 0.0000 | (Cl) |
9 | 0.2478 | 0.2500 | 0.3982 | 0.0000 | (Cl) |
10 | 0.2232 | 0.2500 | -0.0720 | 0.0000 | (Cl) |
11 | -0.0034 | 0.2500 | 0.0006 | 0.0000 | H2O |
12 | -0.0256 | 0.1704 | -0.0471 | 0.0000 | H |