N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7594 | 0.7500 | 0.1531 | 0.0000 | Mn=0.6000, Ca=0.4000 |
2 | 0.5920 | 0.7500 | 0.4282 | 0.0000 | Ce=0.4600, La=0.2300, Nd=0.2200 |
3 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Mn=0.6300, Fe=0.2300, Ti=0.1400 |
4 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | Al |
5 | 0.3167 | 0.2500 | 0.2066 | 0.0000 | Mn |
6 | 0.3490 | 0.7500 | 0.0325 | 0.0000 | Si |
7 | 0.6932 | 0.2500 | 0.2828 | 0.0000 | Si |
8 | 0.1929 | 0.7500 | 0.3248 | 0.0000 | Si |
9 | 0.2456 | 0.9890 | 0.0212 | 0.0000 | O |
10 | 0.3162 | 0.9720 | 0.3596 | 0.0000 | O |
11 | 0.8060 | 0.0120 | 0.3322 | 0.0000 | O |
12 | 0.0570 | 0.2500 | 0.1320 | 0.0000 | O |
13 | 0.0500 | 0.7500 | 0.1588 | 0.0000 | O |
14 | 0.0790 | 0.7500 | 0.4210 | 0.0000 | O |
15 | 0.5160 | 0.7500 | 0.1760 | 0.0000 | O |
16 | 0.5590 | 0.2500 | 0.3470 | 0.0000 | O |
17 | 0.4000 | 0.7500 | -0.1060 | 0.0000 | O |
18 | 0.0910 | 0.2500 | 0.4280 | 0.0000 | OH |