N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5000 | 0.5000 | 0.0000 | 0.0000 | Fe |
2 | 0.1305 | -0.0845 | -0.5020 | 0.0000 | Fe |
3 | 0.1888 | 0.1768 | 0.0579 | 0.0000 | P |
4 | 0.0450 | 0.2190 | -0.1290 | 0.0000 | O |
5 | 0.2570 | 0.0640 | -0.1290 | 0.0000 | O |
6 | 0.3430 | 0.3240 | 0.1890 | 0.0000 | O |
7 | 0.1050 | 0.1010 | 0.3120 | 0.0000 | O |
8 | 0.3510 | -0.0800 | -0.6780 | 0.0000 | OH=0.5000, H2O=0.5000 |
9 | 0.2590 | 0.4770 | 0.6970 | 0.0000 | H2O |
10 | 0.1370 | -0.2750 | -0.3100 | 0.0000 | OH=0.5000, H2O=0.5000 |
11 | 0.5600 | 0.3420 | 0.6960 | 0.0000 | H2O |