N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.2500 | 1.1000 | Ba |
2 | 0.3333 | 0.6667 | 0.2500 | 1.3000 | Ca |
3 | 0.0000 | 0.5000 | 0.2500 | 0.9000 | Al |
4 | 0.0830 | 0.3333 | 0.1180 | 1.2000 | Si=0.7500, Al=0.2500 |
5 | 0.0980 | 0.3780 | 0.0000 | 3.0000 | O |
6 | 0.1990 | 0.2780 | 0.1450 | 4.3000 | O |
7 | 0.1160 | 0.4730 | 0.1780 | 2.9000 | O |
8 | 0.3333 | 0.6667 | 0.0700 | 3.6000 | H2O=0.5000 |