N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1339 | 0.1550 | 0.1684 | 0.0000 | Al |
2 | 0.1478 | 0.4684 | 0.3528 | 0.0000 | P |
3 | 0.1118 | 0.2987 | 0.3153 | 0.0000 | O |
4 | 0.0403 | 0.5819 | 0.2945 | 0.0000 | O |
5 | 0.2854 | 0.5125 | 0.2901 | 0.0000 | O |
6 | 0.1500 | 0.4792 | 0.5122 | 0.0000 | O |
7 | 0.0604 | 0.3256 | 0.0547 | 0.0000 | H2O |
8 | 0.3073 | 0.2360 | 0.1150 | 0.0000 | H2O |
9 | 0.0630 | 0.3100 | -0.0280 | 3.8000 | H |
10 | -0.0120 | 0.3710 | 0.0680 | 4.0000 | H |
11 | 0.3620 | 0.2010 | 0.1680 | 2.0000 | H |
12 | 0.3140 | 0.3340 | 0.0850 | 4.7000 | H |