N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 1.2400 | K=0.6200, Na=0.1400, Ba=0.2400 |
2 | 0.5000 | 0.5000 | 0.5000 | 0.2600 | Zr=0.7000, Ca=0.3000 |
3 | 0.3111 | 0.3111 | 0.3111 | 0.3600 | Mg=0.4500, Fe=0.4500 |
4 | 0.3479 | 0.1227 | 0.0232 | 0.5800 | Cr=0.6700, Fe=0.2200, V=0.1100 |
5 | 0.3071 | 0.7208 | 0.1457 | 0.3800 | Ti |
6 | 0.4754 | 0.0832 | 0.6386 | 0.3800 | Ti |
7 | 0.3692 | 0.3692 | 0.3692 | 2.2300 | Mg=0.2000 |
8 | 0.3084 | 0.6261 | 0.3820 | 0.5200 | O |
9 | 0.1553 | 0.2394 | 0.9392 | 0.5200 | O |
10 | 0.9218 | 0.4583 | 0.2979 | 0.5200 | O |
11 | 0.1424 | 0.5175 | 0.9902 | 0.5200 | O |
12 | 0.3901 | 0.4879 | 0.1343 | 0.3700 | O |
13 | 0.7043 | 0.2434 | 0.0743 | 0.4200 | O |
14 | 0.2133 | 0.2133 | 0.2133 | 0.4500 | O |