N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0533 | 0.1778 | 0.3007 | 0.0000 | Ba |
2 | 0.3319 | 0.0860 | 0.0238 | 0.0000 | Ca |
3 | 0.0000 | 0.0000 | 0.0000 | 0.0100 | Mg |
4 | 0.4820 | 0.4856 | 0.1724 | 0.0200 | O |
5 | 0.3798 | 0.3543 | 0.1180 | 0.0100 | O |
6 | 0.3525 | 0.4613 | 0.1185 | 0.0100 | O |
7 | 0.2393 | 0.1124 | 0.1817 | 0.0100 | O |
8 | 0.1039 | 0.0689 | 0.1414 | 0.0300 | O |
9 | 0.1993 | 0.2036 | 0.1101 | 0.0200 | O |
10 | 0.0789 | 0.0549 | 0.4749 | 0.0200 | O=0.5000 |
11 | 0.4058 | 0.4334 | 0.1398 | 0.0100 | C |
12 | 0.1797 | 0.1288 | 0.1376 | 0.0100 | C |
13 | 0.0000 | 0.0000 | 0.4785 | 0.0200 | C=0.5000 |