N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.2500 | 0.9600 | K |
2 | 0.3333 | 0.6667 | 0.2500 | 1.0300 | Ca |
3 | 0.5000 | 0.5000 | 0.2500 | 0.2300 | Be=0.7870, Al=0.2130 |
4 | 0.0814 | 0.3374 | 0.1124 | 0.4800 | Si |
5 | 0.0954 | 0.3854 | 0.0000 | 0.9500 | O |
6 | 0.1962 | 0.2771 | 0.1345 | 0.9000 | O |
7 | 0.1159 | 0.4742 | 0.1806 | 0.6500 | O |
8 | 0.3333 | 0.6667 | 0.0000 | 2.7000 | K=0.1000 |
9 | 0.0000 | 0.0000 | 0.0000 | 1.0000 | K=0.0170 |