N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0355 | 0.1361 | 0.1518 | 0.0000 | As |
2 | 0.1466 | -0.1824 | 0.1266 | 0.0000 | Fe |
3 | 0.0069 | -0.0295 | 0.1428 | 0.0000 | O |
4 | 0.2139 | 0.1654 | 0.1093 | 0.0000 | O |
5 | 0.0037 | 0.1951 | 0.3012 | 0.0000 | O |
6 | -0.0834 | 0.2159 | 0.0511 | 0.0000 | O |
7 | 0.2293 | -0.1175 | 0.3004 | 0.0000 | H2O |
8 | 0.1890 | -0.1530 | 0.3650 | 0.0000 | H |
9 | 0.3210 | -0.1080 | 0.3190 | 0.0000 | H |
10 | 0.3285 | -0.0701 | 0.0547 | 0.0000 | H2O |
11 | 0.3590 | -0.0930 | -0.0180 | 0.0000 | H |
12 | 0.3150 | 0.0120 | 0.0630 | 0.0000 | H |