N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.2668 | 0.9944 | 0.0000 | O |
2 | 0.0738 | 0.5244 | 0.1370 | 0.0000 | O |
3 | 0.2547 | 0.9865 | 0.1355 | 0.0000 | O |
4 | 0.0000 | 0.2610 | 0.2628 | 0.0000 | O |
5 | 0.1763 | 0.2840 | 0.2524 | 0.0000 | O |
6 | 0.1350 | 0.7864 | 0.0220 | 0.0000 | OH |
7 | 0.0847 | 0.0332 | 0.1126 | 0.0000 | OH |
8 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Mn |
9 | 0.1752 | 0.0000 | 0.0000 | 0.0000 | Mn |
10 | 0.0878 | 0.2739 | 0.1363 | 0.0000 | Mn |
11 | 0.0000 | 0.6373 | 0.1282 | 0.0000 | As |
12 | 0.1682 | 0.6322 | 0.1318 | 0.0000 | Zn |
13 | 0.2500 | 0.3847 | 0.2500 | 0.0000 | Si |