N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.8489 | 0.5864 | 0.1358 | 0.0000 | Mn |
2 | 0.8502 | 0.0880 | 0.1349 | 0.0000 | Mn=0.9258, Ca=0.0742 |
3 | 0.5576 | 0.2580 | 0.3630 | 0.0000 | Na |
4 | 0.2126 | 0.4130 | 0.3487 | 0.0000 | Si |
5 | 0.2103 | 0.9531 | 0.3436 | 0.0000 | Si |
6 | 0.4563 | 0.7326 | 0.1460 | 0.0000 | Si |
7 | 0.6636 | 0.7906 | 0.1130 | 0.0000 | O |
8 | 0.3230 | 0.7045 | 0.9382 | 0.0000 | O |
9 | 0.1755 | 0.4874 | 0.5495 | 0.0000 | O |
10 | 0.1597 | 0.8424 | 0.5617 | 0.0000 | O |
11 | 0.0627 | 0.3932 | 0.1654 | 0.0000 | O |
12 | 0.0530 | 0.8931 | 0.1745 | 0.0000 | O |
13 | 0.4041 | 0.5342 | 0.2749 | 0.0000 | O |
14 | 0.3999 | 0.9084 | 0.2795 | 0.0000 | O |
15 | 0.2579 | 0.1847 | 0.3907 | 0.0000 | O |
16 | 0.1300 | 0.6270 | 0.5560 | 0.0000 | H=0.4900 |
17 | 0.1680 | 0.7140 | 0.5410 | 0.0000 | H=0.5100 |