N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3160 | 0.3209 | 0.4591 | 0.0000 | Ba |
2 | 0.3036 | 0.1135 | -0.0694 | 0.0000 | P |
3 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Al=0.6600, Ti=0.3400 |
4 | 0.5000 | 0.5000 | 0.0000 | 0.0000 | Al |
5 | 0.2105 | 0.2235 | -0.0700 | 0.0000 | O |
6 | 0.4330 | 0.0927 | 0.2030 | 0.0000 | O |
7 | -0.0584 | 0.3858 | 0.2290 | 0.0000 | O |
8 | 0.2636 | 0.4474 | 0.0679 | 0.0000 | O |
9 | 0.6445 | 0.4724 | 0.3497 | 0.0000 | O |
10 | 0.0521 | 0.1306 | 0.3945 | 0.0000 | F |