N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.8456 | 0.5884 | 0.1399 | 0.0000 | Mn |
2 | 0.8559 | 0.0903 | 0.1329 | 0.0000 | Mn=0.9420, Ca=0.0580 |
3 | 0.5640 | 0.2587 | 0.3578 | 0.0000 | Na |
4 | 0.2129 | 0.4124 | 0.3509 | 0.0000 | Si |
5 | 0.2037 | 0.9403 | 0.3468 | 0.0000 | Si |
6 | 0.4575 | 0.7393 | 0.1466 | 0.0000 | Si |
7 | 0.6663 | 0.7941 | 0.1126 | 0.0000 | O |
8 | 0.3200 | 0.7058 | 0.9408 | 0.0000 | O |
9 | 0.1758 | 0.4955 | 0.5553 | 0.0000 | O |
10 | 0.1582 | 0.8404 | 0.5633 | 0.0000 | O |
11 | 0.0606 | 0.3948 | 0.1654 | 0.0000 | O |
12 | 0.0539 | 0.8905 | 0.1769 | 0.0000 | O |
13 | 0.4068 | 0.5360 | 0.2775 | 0.0000 | O |
14 | 0.3990 | 0.9114 | 0.2815 | 0.0000 | O |
15 | 0.2618 | 0.1873 | 0.3891 | 0.0000 | O |
16 | 0.1440 | 0.6330 | 0.5450 | 0.0000 | H=0.6700 |
17 | 0.1670 | 0.7040 | 0.5260 | 0.0000 | H=0.3300 |