N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2500 | 0.2500 | 0.9370 | 2.5500 | Na |
2 | 0.0000 | 0.0000 | 0.0000 | 2.5600 | Ca |
3 | 0.4048 | -0.4048 | 0.5000 | 0.5200 | Al |
4 | 0.2500 | 0.9069 | 0.5992 | 0.7400 | OH |
5 | 0.4388 | 0.4388 | 0.6072 | 0.7700 | OH |
6 | 0.2500 | 0.5140 | 0.1565 | 0.6700 | C |
7 | 0.4609 | 0.6497 | 0.7591 | 0.9000 | O |
8 | 0.2500 | 0.4653 | 0.9819 | 1.2600 | O |
9 | 0.2500 | 0.2500 | 0.4686 | 2.4600 | (Cl) |
10 | 0.2500 | 0.9340 | 0.7200 | 0.7700 | H |
11 | 0.3910 | 0.3910 | 0.5770 | 2.2100 | H |