N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3484 | 0.0000 | 0.0000 | 0.0000 | Ba |
2 | 0.2164 | 0.4328 | 0.5000 | 0.0000 | Ba |
3 | 0.2606 | 0.5212 | 0.0000 | 0.0000 | Mn=0.6940, Ti=0.2560, Fe=0.0500 |
4 | 0.4440 | 0.8880 | 0.2740 | 0.0000 | Si |
5 | 0.1600 | 0.4990 | 0.1970 | 0.0000 | O |
6 | 0.5000 | 0.0000 | 0.2060 | 0.0000 | O |
7 | 0.4410 | 0.8820 | 0.5000 | 0.0000 | O |
8 | 0.3333 | 0.6667 | 0.0000 | 0.0000 | O=0.5000, OH=0.5000 |
9 | 0.3333 | 0.6667 | 0.5000 | 0.0000 | (Cl) |
10 | 0.1420 | 0.2840 | 0.1180 | 0.0000 | (Cl)=0.3000 |
11 | 0.3010 | 0.0000 | 0.5000 | 0.0000 | (Cl)=0.6000 |