N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.2480 | 0.0000 | 0.0000 | Fe |
2 | 0.1350 | 0.1540 | 0.4330 | 0.0000 | Fe |
3 | 0.1380 | 0.6530 | 0.5670 | 0.0000 | Fe |
4 | 0.2000 | 0.3700 | 0.7030 | 0.0000 | P |
5 | 0.2020 | 0.8430 | 0.3020 | 0.0000 | P |
6 | 0.0970 | 0.2860 | 0.6000 | 0.0000 | O |
7 | 0.2100 | 0.2960 | 0.8500 | 0.0000 | O |
8 | 0.1330 | 0.5120 | 0.7330 | 0.0000 | O |
9 | 0.3700 | 0.3750 | 0.6430 | 0.0000 | O |
10 | 0.1070 | 0.9240 | 0.1900 | 0.0000 | O |
11 | 0.0920 | 0.7330 | 0.3640 | 0.0000 | O |
12 | 0.2420 | 0.9410 | 0.4300 | 0.0000 | O |
13 | 0.3640 | 0.7760 | 0.2620 | 0.0000 | O |
14 | 0.0000 | 0.0000 | 0.5700 | 0.0000 | H2O |
15 | 0.0000 | 0.5000 | 0.4570 | 0.0000 | H2O |
16 | 0.1800 | 0.1080 | 0.0770 | 0.0000 | H2O |
17 | 0.1330 | 0.5750 | 0.0200 | 0.0000 | H2O |