N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0185 | 0.0012 | -0.0066 | 0.0000 | Fe=0.5000 |
2 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Al |
3 | 0.0000 | 0.5000 | 0.5000 | 0.0000 | Al |
4 | 0.3311 | 0.6693 | 0.9107 | 0.0000 | P |
5 | 0.1692 | 0.6438 | 0.0357 | 0.0000 | O |
6 | 0.2883 | 0.5796 | 0.6971 | 0.0000 | O |
7 | 0.2191 | 0.8229 | 0.8842 | 0.0000 | O |
8 | 0.3464 | 0.3607 | 0.9692 | 0.0000 | O |
9 | 0.1374 | 0.5028 | 0.2899 | 0.0000 | O |
10 | 0.2518 | 0.3188 | 0.5546 | 0.0000 | O |
11 | 0.2917 | 0.9843 | 0.2912 | 0.0000 | O=0.5000 |
12 | 0.3622 | 0.0105 | 0.2388 | 0.0000 | O=0.5000 |
13 | 0.2306 | 0.0959 | -0.0641 | 0.0000 | O=0.5000 |
14 | 0.1277 | 0.1005 | 0.8381 | 0.0000 | O=0.5000 |
15 | 0.2185 | 0.8120 | 0.4837 | 0.0000 | O=0.5000 |
16 | 0.3071 | 0.8638 | 0.5538 | 0.0000 | O=0.5000 |
17 | 0.4100 | 0.2760 | 0.5300 | 0.0000 | H |
18 | 0.2940 | 0.3210 | 0.6590 | 0.0000 | H |