N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.5300 | Fe |
2 | 0.3428 | 0.2094 | 0.7075 | 0.7100 | Ca |
3 | 0.4330 | 0.7181 | 0.7717 | 0.4200 | P |
4 | 0.6806 | 0.6255 | 0.8844 | 0.5000 | O |
5 | 0.3121 | 0.5514 | 0.6789 | 0.8900 | O |
6 | 0.3274 | 0.8745 | 0.9742 | 0.4900 | O |
7 | 0.4082 | 0.8467 | 0.5739 | 0.8300 | O |
8 | 0.0981 | 0.2196 | 0.3098 | 0.6500 | H2O |
9 | -0.0498 | 0.2351 | -0.2356 | 0.8000 | H2O |
10 | -0.0220 | 0.3170 | 0.3300 | 4.1000 | H |
11 | 0.1770 | 0.2630 | 0.2390 | 5.7000 | H |
12 | -0.1370 | 0.1920 | -0.3550 | 3.0000 | H |
13 | -0.1400 | 0.3520 | -0.1870 | 4.7000 | H |