N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.7500 | 0.2500 | 0.0000 | 0.2700 | Si=0.9590 |
2 | 0.5410 | 0.1810 | 0.8712 | 0.4700 | Si |
3 | 0.6505 | -0.0821 | 0.6346 | 0.5800 | Si |
4 | 0.7500 | 0.2500 | 0.7500 | 0.7000 | Ca |
5 | 0.6887 | 0.0432 | 0.8795 | 0.6400 | Ca |
6 | 0.4011 | 0.1785 | 0.6139 | 0.9300 | Ca |
7 | 0.7500 | -0.2500 | 0.8645 | 1.5500 | Ca=0.4600, Na=0.0400 |
8 | 0.7500 | -0.2500 | 0.9378 | 1.6000 | Fe=0.5000 |
9 | 0.5000 | 0.0000 | 0.5000 | 0.5200 | Al |
10 | 0.6127 | 0.3791 | 0.8736 | 0.4300 | Al=0.8600, Mg=0.1100, Fe=0.0300 |
11 | 0.7196 | 0.3275 | 0.9147 | 0.5800 | O |
12 | 0.6173 | 0.1593 | 0.7788 | 0.6600 | O |
13 | 0.5497 | 0.2789 | 0.9234 | 0.5700 | O |
14 | 0.5626 | 0.1065 | 0.9698 | 0.5200 | O |
15 | 0.6699 | 0.0159 | 0.6773 | 0.7900 | O |
16 | 0.7293 | -0.1171 | 0.5594 | 1.1200 | O |
17 | 0.4441 | 0.1746 | 0.8226 | 0.7400 | O |
18 | 0.5907 | -0.0609 | 0.9346 | 0.5800 | O |
19 | 0.6425 | -0.1425 | 0.7500 | 0.9900 | O |
20 | 0.7500 | -0.2500 | 0.1110 | 2.0000 | O=0.5000 |
21 | 0.7500 | -0.2500 | 0.1658 | 1.5000 | (Cl)=0.2000, F=0.2500 |
22 | 0.4378 | -0.0056 | 0.8637 | 0.7800 | F=0.3500, O=0.6500 |
23 | 0.4330 | 0.0190 | 0.7970 | 3.9500 | H=0.6500 |