N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.8685 | 0.1450 | 0.4933 | 1.1100 | Mn |
2 | 0.5912 | 0.2500 | 0.5145 | 1.1100 | Mn |
3 | 0.6440 | 0.0613 | -0.0041 | 1.2400 | Mn |
4 | 0.7779 | 0.2500 | 0.0712 | 0.5500 | Si |
5 | 0.4613 | 0.0448 | 0.5835 | 0.6500 | Si=0.5000 |
6 | 0.4616 | 0.0432 | 0.2672 | 1.2200 | O |
7 | 0.7778 | 0.2500 | 0.7381 | 0.7300 | O |
8 | 0.9179 | 0.2500 | 0.2125 | 0.7800 | O |
9 | 0.7101 | 0.1681 | 0.2123 | 0.7500 | O |
10 | 0.5286 | 0.1373 | 0.7311 | 1.5800 | O |
11 | 0.3109 | 0.0439 | 0.7344 | 1.3700 | O |
12 | 0.5550 | 0.1260 | 0.5690 | 1.7000 | H=0.5000 |
13 | 0.3450 | 0.3400 | 0.6000 | 2.0000 | H=0.5000 |