N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5557 | 0.2553 | 0.3529 | 0.0000 | Na |
2 | 0.8531 | 0.5945 | 0.1349 | 0.0000 | Mn=0.9410 |
3 | 0.8491 | 0.0840 | 0.1329 | 0.0000 | Mn=0.9830 |
4 | 0.2151 | 0.4017 | 0.3423 | 0.0000 | Si |
5 | 0.2059 | 0.9511 | 0.3512 | 0.0000 | Si |
6 | 0.4543 | 0.7370 | 0.1428 | 0.0000 | Si |
7 | 0.1482 | 0.6374 | 0.5498 | 0.0000 | H=0.8420 |
8 | 0.1518 | 0.6872 | 0.5483 | 0.0000 | H=0.1580 |
9 | 0.6643 | 0.7943 | 0.1138 | 0.0000 | O |
10 | 0.3226 | 0.7065 | 0.9435 | 0.0000 | O |
11 | 0.1788 | 0.4926 | 0.5554 | 0.0000 | O |
12 | 0.1598 | 0.8443 | 0.5572 | 0.0000 | O |
13 | 0.0614 | 0.3912 | 0.1671 | 0.0000 | O |
14 | 0.0519 | 0.8912 | 0.1724 | 0.0000 | O |
15 | 0.4071 | 0.5335 | 0.2772 | 0.0000 | O |
16 | 0.3972 | 0.9067 | 0.2866 | 0.0000 | O |
17 | 0.2593 | 0.1888 | 0.3931 | 0.0000 | O |