N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.9006 | 0.2500 | 1.9200 | Mg=0.5210, Fe=0.4790 |
2 | 0.0000 | 0.2628 | 0.2500 | 2.8000 | Mg=0.1150, Fe=0.8530, Ca=0.0320 |
3 | 0.2965 | 0.0888 | 0.2690 | 1.6700 | Si |
4 | 0.1234 | 0.0899 | 0.1544 | 2.0000 | O |
5 | 0.3788 | 0.2407 | 0.3630 | 2.6000 | O |
6 | 0.3510 | 0.0092 | 0.0483 | 3.8000 | O |