N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 1.9000 | Fe=0.8600 |
2 | 0.4603 | 0.1373 | 0.3410 | 2.7000 | Fe |
3 | 0.3027 | 0.4256 | 0.3250 | 0.7000 | P |
4 | 0.3930 | 0.4770 | 0.1240 | 1.6000 | O |
5 | 0.3590 | 0.4810 | 0.5790 | 2.1000 | O |
6 | 0.1580 | 0.4820 | 0.2750 | 2.5000 | O |
7 | 0.3040 | 0.2620 | 0.3170 | 2.9000 | O |
8 | 0.5560 | 0.2350 | 0.0760 | 1.6000 | OH |
9 | 0.1340 | 0.8980 | 0.2980 | 3.1000 | H2O |
10 | 0.0470 | 0.1830 | 0.1880 | 3.3000 | H2O |