N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.0000 | 0.0000 | 0.0000 | 0.0000 | Mn=0.3700, Mg=0.2700, Fe=0.3500, Zn=0.0300 |
2 | 0.0000 | 0.5000 | 0.0000 | 0.0000 | Fe=0.5940, Al=0.4060 |
3 | 0.0000 | 0.5000 | 0.5000 | 0.0000 | Fe=0.4240, Al=0.5760 |
4 | 0.3445 | 0.6688 | 0.9256 | 0.0000 | P=0.9730 |
5 | 0.1663 | 0.6530 | 0.0430 | 0.0000 | O |
6 | 0.2989 | 0.5752 | 0.7096 | 0.0000 | O |
7 | 0.2701 | 0.8168 | 0.9046 | 0.0000 | O |
8 | 0.3438 | 0.3684 | 0.9523 | 0.0000 | O |
9 | 0.1502 | 0.5041 | 0.2965 | 0.0000 | O |
10 | 0.2329 | 0.3127 | 0.5431 | 0.0000 | O |
11 | 0.2412 | 0.0069 | 0.3207 | 0.0000 | O |
12 | 0.2268 | 0.1099 | 0.9442 | 0.0000 | O |
13 | 0.2679 | 0.8026 | 0.5079 | 0.0000 | O |
14 | 0.3350 | 0.4810 | 0.3220 | 0.0000 | H |
15 | 0.2900 | 0.3270 | 0.6820 | 0.0000 | H |
16 | 0.3900 | 0.2800 | 0.5070 | 0.0000 | H |
17 | 0.2490 | 0.0840 | 0.4180 | 0.0000 | H |
18 | 0.2090 | -0.0500 | 0.3760 | 0.0000 | H |
19 | 0.1180 | 0.1920 | 0.9510 | 0.0000 | H |
20 | 0.4010 | 0.1170 | 0.9860 | 0.0000 | H |
21 | 0.2570 | 0.8160 | 0.6360 | 0.0000 | H |
22 | 0.1770 | 0.7380 | 0.4270 | 0.0000 | H |