N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7470 | 0.4738 | 0.8642 | 0.4800 | Ca=0.4030 |
2 | 0.2498 | 0.0000 | 0.3440 | 1.4200 | Ca=0.5640 |
3 | 0.9503 | 0.1498 | 0.8945 | 0.2500 | Si |
4 | 0.0650 | 0.3360 | 0.3976 | 0.7000 | Al |
5 | 0.4454 | 0.3276 | 0.3952 | 0.4500 | Si |
6 | 0.5676 | 0.1373 | 0.8941 | 0.6200 | Al |
7 | 0.0609 | 0.1819 | 0.1737 | 1.0500 | O |
8 | 0.0380 | 0.0021 | 0.7381 | 0.8800 | O |
9 | 0.7614 | 0.1378 | 0.0021 | 1.4700 | O |
10 | 0.9540 | 0.2974 | 0.6863 | 0.5000 | O |
11 | 0.5619 | 0.2930 | 0.6604 | 0.6000 | O |
12 | 0.5254 | 0.4807 | 0.2486 | 1.3000 | O |
13 | 0.2664 | 0.3714 | 0.4789 | 0.8100 | O |
14 | 0.4408 | 0.1762 | 0.1895 | 1.1100 | O |