N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.9918 | 0.1062 | 0.3361 | 0.3300 | Ca |
2 | 0.4688 | 0.2626 | 0.0840 | 0.2200 | Si |
3 | 0.5683 | 0.4107 | 0.3415 | 0.3200 | B |
4 | 0.2401 | 0.4008 | 0.0376 | 0.5900 | O |
5 | 0.6694 | 0.3010 | 0.4575 | 0.4900 | O |
6 | 0.6755 | 0.3346 | 0.2104 | 0.4600 | O |
7 | 0.3152 | 0.0876 | 0.1460 | 0.5200 | O |
8 | 0.2588 | 0.4137 | 0.3363 | 0.5300 | OH |
9 | 0.2000 | 0.4440 | 0.4050 | 0.7800 | H |