N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3680 | 0.3680 | 0.0000 | 0.0000 | Fe=0.3910 |
2 | 0.1380 | 0.1380 | 0.5000 | 0.0000 | Fe=0.0820 |
3 | 0.1489 | 0.3821 | 0.2458 | 0.0000 | Fe |
4 | 0.2570 | 0.9999 | 0.1240 | 0.0000 | P |
5 | 0.3860 | 0.1120 | 0.0530 | 0.0000 | O |
6 | 0.1340 | 0.1290 | 0.1840 | 0.0000 | O |
7 | 0.1380 | 0.8680 | 0.0620 | 0.0000 | O |
8 | 0.3720 | 0.8870 | 0.1930 | 0.0000 | O |
9 | 0.0120 | 0.2350 | 0.3730 | 0.0000 | H |