N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0501 | 0.3539 | 0.3170 | 0.0000 | O |
2 | 0.1214 | 0.6604 | 0.3175 | 0.0000 | O |
3 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | O |
4 | 0.2085 | 0.2305 | 0.0247 | 0.0000 | O |
5 | 0.2012 | 0.7657 | 0.0032 | 0.0000 | O |
6 | 0.0510 | 0.9698 | 0.3220 | 0.0000 | OH |
7 | 0.9649 | 0.1665 | 0.6051 | 0.0000 | OH |
8 | 0.0348 | 0.4769 | 0.6080 | 0.0000 | OH |
9 | 0.0334 | 0.8570 | 0.6094 | 0.0000 | OH |
10 | 0.2971 | 0.4957 | 0.4721 | 0.0000 | Al |
11 | 0.7926 | 0.3300 | 0.4699 | 0.0000 | Al |
12 | 0.9942 | 0.3393 | 0.0909 | 0.0000 | Si |
13 | 0.5064 | 0.1665 | 0.0913 | 0.0000 | Si |
14 | 0.1492 | 0.0664 | 0.3330 | 0.0000 | H |
15 | 0.0768 | 0.1742 | 0.7363 | 0.0000 | H |
16 | 0.0353 | 0.5068 | 0.7392 | 0.0000 | H |
17 | 0.0558 | 0.8175 | 0.7374 | 0.0000 | H |