N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3391 | 0.0000 | 0.2500 | 0.0000 | Ba=0.6900, Pb=0.3100 |
2 | 0.1847 | 0.0209 | 0.9964 | 0.0000 | U |
3 | 0.0318 | 0.3473 | 0.0430 | 0.0000 | V |
4 | 0.1695 | 0.0606 | 0.8913 | 0.0000 | O |
5 | 0.2023 | 0.0235 | 0.1024 | 0.0000 | O |
6 | 0.0030 | 0.3591 | 0.1363 | 0.0000 | O |
7 | 0.9020 | 0.4388 | 0.9812 | 0.0000 | O |
8 | 0.9871 | 0.1524 | 0.0130 | 0.0000 | O |
9 | 0.1997 | 0.2904 | 0.0333 | 0.0000 | O |
10 | 0.2560 | 0.3004 | 0.2251 | 0.0000 | H2O |
11 | 0.5210 | 0.1900 | 0.3225 | 0.0000 | H2O |
12 | 0.0323 | 0.0000 | 0.2500 | 0.0000 | H2O |