N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.8444 | 0.5831 | 0.1385 | 0.0000 | Mn |
2 | 0.8552 | 0.0917 | 0.1343 | 0.0000 | Mn=0.9258, Ca=0.0742 |
3 | 0.5644 | 0.2601 | 0.3646 | 0.0000 | Na |
4 | 0.2129 | 0.4144 | 0.3476 | 0.0000 | Si |
5 | 0.2072 | 0.9513 | 0.3465 | 0.0000 | Si |
6 | 0.4528 | 0.7344 | 0.1476 | 0.0000 | Si |
7 | 0.6638 | 0.7917 | 0.1093 | 0.0000 | O |
8 | 0.3240 | 0.7058 | 0.9393 | 0.0000 | O |
9 | 0.1776 | 0.4929 | 0.5511 | 0.0000 | O |
10 | 0.1599 | 0.8410 | 0.5607 | 0.0000 | O |
11 | 0.0633 | 0.3964 | 0.1667 | 0.0000 | O |
12 | 0.0549 | 0.8951 | 0.1746 | 0.0000 | O |
13 | 0.4045 | 0.5370 | 0.2770 | 0.0000 | O |
14 | 0.3977 | 0.9117 | 0.2800 | 0.0000 | O |
15 | 0.2576 | 0.1849 | 0.3907 | 0.0000 | O |
16 | 0.1350 | 0.6280 | 0.5510 | 0.0000 | H=0.5500 |
17 | 0.1550 | 0.7030 | 0.5240 | 0.0000 | H=0.4500 |