N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2499 | 0.6520 | 0.2333 | 1.8300 | Mg=0.5070, Fe=0.4930 |
2 | 0.2534 | 0.0141 | 0.2296 | 2.1600 | Mg=0.1290, Fe=0.8390, Ca=0.0320 |
3 | 0.0435 | 0.3405 | 0.2833 | 1.0500 | Si |
4 | 0.5503 | 0.8359 | 0.2444 | 1.6600 | Si |
5 | 0.8681 | 0.3431 | 0.1656 | 1.3000 | O |
6 | 0.1271 | 0.4918 | 0.3394 | 1.9000 | O |
7 | 0.0997 | 0.2623 | 0.5801 | 2.0000 | O |
8 | 0.3783 | 0.8325 | 0.1361 | 1.9000 | O |
9 | 0.6290 | 0.9825 | 0.3799 | 1.9000 | O |
10 | 0.6020 | 0.7116 | 0.4937 | 2.3000 | O |