N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1374 | 0.3326 | 0.2500 | 0.9500 | Ba |
2 | 0.5000 | 0.0000 | 0.0000 | 0.7600 | Ca |
3 | 0.2922 | 0.0000 | 0.0000 | 0.5900 | Fe=0.7400, Mg=0.1100, Mn=0.1500 |
4 | 0.3477 | 0.2982 | 0.1413 | 0.6000 | Si=0.9500, Al=0.0500 |
5 | 0.0000 | 0.0612 | 0.1080 | 0.5300 | Si |
6 | 0.0000 | 0.0000 | 0.0000 | 2.5800 | O |
7 | 0.3853 | 0.1303 | 0.0798 | 1.2400 | O |
8 | 0.0867 | 0.9736 | 0.1521 | 1.9500 | O |
9 | 0.2559 | 0.3690 | 0.1079 | 1.7400 | O |
10 | 0.3330 | 0.2189 | 0.2500 | 1.3800 | O |
11 | 0.0000 | 0.2804 | 0.1286 | 1.0200 | O |