N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5470 | 0.7500 | 0.7410 | 0.8200 | Ba |
2 | 0.2952 | -0.1102 | 0.2092 | 0.7800 | Al=0.9350, Fe=0.0650 |
3 | 0.0914 | 0.4005 | 0.1287 | 0.6100 | Fe=0.5940, Mn=0.0430, Mg=0.3000 |
4 | 0.1559 | 0.7500 | 0.6860 | 0.6200 | P |
5 | 0.3326 | 0.4418 | 0.7046 | 0.6400 | P |
6 | 0.2781 | 0.7500 | 0.9471 | 0.9400 | O |
7 | 0.2313 | 0.7500 | 0.4325 | 0.9000 | O |
8 | 0.0595 | 0.6453 | 0.6865 | 0.9600 | O |
9 | 0.3679 | 0.5565 | 0.6099 | 1.0400 | O |
10 | 0.2581 | 0.4521 | 0.9668 | 1.0300 | O |
11 | 0.2266 | 0.3810 | 0.4700 | 1.1500 | O |
12 | 0.4737 | 0.3700 | 0.7881 | 1.0900 | O |
13 | 0.1236 | 0.2500 | 0.0067 | 0.9800 | O |
14 | 0.0593 | 0.5572 | 0.1907 | 0.9300 | O |
15 | 0.1170 | 0.2280 | 0.1860 | 1.0000 | H |
16 | 0.0340 | 0.5990 | 0.3460 | 1.0000 | H |