N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 1.1000 | Fe=0.5200, Cu=0.4800 |
2 | 0.5000 | 0.5000 | 0.5000 | 1.1000 | Fe=0.5200, Cu=0.4800 |
3 | 0.5930 | 0.9180 | 0.2480 | 0.7000 | S |
4 | 0.7270 | 0.8300 | 0.0980 | 1.1000 | O |
5 | 0.2870 | 0.8280 | 0.1540 | 1.3000 | O |
6 | 0.6440 | 0.2220 | 0.3310 | 0.9000 | O |
7 | 0.6940 | 0.7970 | 0.4040 | 1.6000 | O |
8 | 0.1140 | 0.4070 | 0.2650 | 1.0000 | H2O |