N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2988 | 0.4959 | 0.4747 | 0.0000 | Al=0.9960, Fe=0.0080, Mg=0.0040, Ca=0.0060 |
2 | 0.7934 | 0.3299 | 0.4721 | 0.0000 | Al=0.9960, Fe=0.0080, Mg=0.0040, Ca=0.0060 |
3 | 0.9935 | 0.3387 | 0.0912 | 0.0000 | Si=0.9780, Ti=0.0090 |
4 | 0.5095 | 0.1668 | 0.0931 | 0.0000 | Si=0.9780, Ti=0.0090 |
5 | 0.0501 | 0.3519 | 0.3165 | 0.0000 | O |
6 | 0.1204 | 0.6610 | 0.3172 | 0.0000 | O |
7 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | O |
8 | 0.2078 | 0.2308 | 0.0261 | 0.0000 | O |
9 | 0.2021 | 0.7641 | 0.0006 | 0.0000 | O |
10 | 0.0502 | 0.9688 | 0.3266 | 0.0000 | OH |
11 | 0.9593 | 0.1655 | 0.6055 | 0.0000 | OH |
12 | 0.0372 | 0.4729 | 0.6045 | 0.0000 | OH |
13 | 0.0371 | 0.8561 | 0.6092 | 0.0000 | OH |