N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0027 | 0.6629 | 0.9128 | 0.0000 | Ca |
2 | -0.0019 | 0.6421 | 0.4062 | 0.0000 | Sc |
3 | 0.2163 | 0.0402 | 0.0886 | 0.0000 | Si |
4 | 0.2102 | 0.0666 | 0.5229 | 0.0000 | Si |
5 | 0.2055 | 0.8366 | 0.7399 | 0.0000 | Si |
6 | 0.1160 | 0.4490 | 0.8729 | 0.0000 | O |
7 | 0.1176 | 0.4462 | 0.4203 | 0.0000 | O |
8 | 0.1279 | 0.6930 | 0.2416 | 0.0000 | O |
9 | 0.1295 | 0.1568 | -0.0262 | 0.0000 | O |
10 | 0.1479 | 0.2006 | 0.6291 | 0.0000 | O |
11 | 0.1113 | 0.7139 | 0.6736 | 0.0000 | O |
12 | 0.1571 | 0.0538 | 0.2871 | 0.0000 | O |
13 | 0.1507 | 0.9458 | 0.5940 | 0.0000 | O |
14 | 0.1815 | 0.8981 | 0.9601 | 0.0000 | O |
15 | 0.1300 | 0.1800 | 0.8600 | 0.0000 | H |