N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.7400 | Cu |
2 | 0.4548 | 0.1357 | 0.3419 | 0.4300 | Fe |
3 | 0.2960 | 0.4282 | 0.3420 | 0.4600 | As |
4 | 0.3976 | 0.4859 | 0.1243 | 0.6300 | O |
5 | 0.3554 | 0.4898 | 0.6082 | 0.6900 | O |
6 | 0.1464 | 0.4928 | 0.2807 | 0.9700 | O |
7 | 0.2946 | 0.2535 | 0.3322 | 0.6900 | O |
8 | 0.5411 | 0.2330 | 0.0751 | 0.8100 | OH |
9 | 0.1315 | -0.1195 | 0.3268 | 1.8400 | H2O |
10 | 0.0486 | 0.1761 | 0.1549 | 1.8000 | H2O |