N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1506 | 0.0000 | 0.7077 | 0.0000 | Ti |
2 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Ti |
3 | 0.1439 | 0.2846 | 0.2049 | 0.0000 | Si |
4 | 0.5000 | 0.2590 | 0.5000 | 0.0000 | Na=0.6500, Mn=0.1800, Fe=0.1700 |
5 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Na |
6 | 0.2842 | 0.0000 | 0.2621 | 0.0000 | Sr=0.5900, Na=0.3300, Ca=0.0600 |
7 | 0.4425 | 0.0000 | 0.2758 | 0.0000 | OH |
8 | 0.1748 | 0.1889 | 0.4674 | 0.0000 | O |
9 | 0.1732 | 0.1875 | 0.9712 | 0.0000 | O |
10 | 0.1777 | 0.5000 | 0.2200 | 0.0000 | O |
11 | 0.0595 | 0.2965 | 0.1725 | 0.0000 | O |
12 | 0.0623 | 0.0000 | 0.6677 | 0.0000 | O |