N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7566 | 0.7500 | 0.1521 | 0.9600 | Ca |
2 | 0.5991 | 0.7500 | 0.4253 | 1.0800 | Ca=0.9500, Sr=0.0500 |
3 | 0.3419 | 0.7500 | 0.0461 | 0.6000 | Si |
4 | 0.6855 | 0.2500 | 0.2740 | 0.5900 | Si |
5 | 0.1857 | 0.7500 | 0.3195 | 0.6100 | Si |
6 | 0.0000 | 0.0000 | 0.0000 | 0.5200 | Al=0.8910, Mn=0.1790 |
7 | 0.0000 | 0.0000 | 0.5000 | 0.5400 | Al |
8 | 0.2963 | 0.2500 | 0.2225 | 0.5800 | Mn=0.6400, Fe=0.3500, Al=0.0700 |
9 | 0.2342 | 0.9921 | 0.0367 | 0.9500 | O |
10 | 0.3065 | 0.9797 | 0.3558 | 0.8600 | O |
11 | 0.7974 | 0.0161 | 0.3363 | 0.8300 | O |
12 | 0.0583 | 0.2500 | 0.1317 | 0.7200 | O |
13 | 0.0706 | 0.7500 | 0.4099 | 0.8500 | O |
14 | 0.5148 | 0.7500 | 0.1821 | 0.9200 | O |
15 | 0.5291 | 0.2500 | 0.3137 | 1.1200 | O |
16 | 0.6188 | 0.2500 | 0.0972 | 1.3800 | O |
17 | 0.0876 | 0.2500 | 0.4336 | 0.8000 | O |
18 | 0.0422 | 0.7500 | 0.1475 | 0.7200 | O |
19 | 0.0700 | 0.2500 | 0.3520 | 2.0000 | H |