N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7611 | 0.7500 | 0.1554 | 0.0000 | Ca |
2 | 0.6069 | 0.7500 | 0.4255 | 0.0000 | Ca |
3 | 0.3398 | 0.7500 | 0.0482 | 0.0000 | Si |
4 | 0.6797 | 0.2500 | 0.2755 | 0.0000 | Si |
5 | 0.1821 | 0.7500 | 0.3164 | 0.0000 | Si |
6 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Al |
7 | 0.0000 | 0.0000 | 0.5000 | 0.0000 | Al |
8 | 0.2904 | 0.2500 | 0.2243 | 0.0000 | Fe |
9 | 0.2353 | 0.9977 | 0.0450 | 0.0000 | O |
10 | 0.3040 | 0.9863 | 0.3550 | 0.0000 | O |
11 | 0.7900 | 0.0128 | 0.3470 | 0.0000 | O |
12 | 0.0520 | 0.2500 | 0.1300 | 0.0000 | O |
13 | 0.0390 | 0.7500 | 0.1420 | 0.0000 | O |
14 | 0.0630 | 0.7500 | 0.4040 | 0.0000 | O |
15 | 0.5190 | 0.7500 | 0.1810 | 0.0000 | O |
16 | 0.5130 | 0.2500 | 0.3000 | 0.0000 | O |
17 | 0.6340 | 0.2500 | 0.1000 | 0.0000 | O |
18 | 0.0780 | 0.2500 | 0.4250 | 0.0000 | O |