N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3323 | 0.0000 | 0.2500 | 0.0000 | Ba=0.9600, Pb=0.0400 |
2 | 0.1850 | 0.0219 | 0.9962 | 0.0000 | U |
3 | 0.0312 | 0.3464 | 0.0424 | 0.0000 | V |
4 | 0.1704 | 0.0604 | 0.8916 | 0.0000 | O |
5 | 0.2031 | 0.9788 | 0.1008 | 0.0000 | O |
6 | 0.9944 | 0.3596 | 0.1355 | 0.0000 | O |
7 | 0.9024 | 0.4379 | 0.9797 | 0.0000 | O |
8 | 0.9854 | 0.1524 | 0.0127 | 0.0000 | O |
9 | 0.1997 | 0.2902 | 0.0314 | 0.0000 | O |
10 | 0.2551 | 0.3032 | 0.2251 | 0.0000 | H2O |
11 | 0.5199 | 0.1868 | 0.3236 | 0.0000 | H2O |
12 | 0.0372 | 0.0000 | 0.2500 | 0.0000 | H2O |