N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.3038 | 0.2500 | 0.4100 | Ca |
2 | 0.0000 | 0.9067 | 0.2500 | 0.9300 | Mg=0.6410, Fe=0.3590 |
3 | 0.2866 | 0.0939 | 0.2260 | 0.4300 | Si=0.8000, Fe=0.2000 |
4 | 0.1159 | 0.0891 | 0.1402 | 0.7000 | O |
5 | 0.3639 | 0.2546 | 0.3186 | 0.8000 | O |
6 | 0.3530 | 0.0229 | 0.9953 | 1.1000 | O |