N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2887 | 0.9520 | 0.6821 | 1.4500 | Mn |
2 | 0.2971 | 0.6566 | 0.2606 | 1.1600 | P |
3 | 0.2914 | 0.2566 | 0.1038 | 1.1200 | P |
4 | 0.5000 | 0.5000 | 0.5000 | 0.8200 | Al |
5 | 0.5000 | 0.5000 | 0.0000 | 0.9300 | Al |
6 | 0.2899 | 0.8156 | 0.3614 | 1.7800 | O |
7 | 0.3909 | 0.6426 | 0.1003 | 1.6000 | O |
8 | 0.3476 | 0.5873 | 0.4219 | 1.3100 | O |
9 | 0.3857 | 0.3101 | 0.3259 | 1.4900 | O |
10 | 0.3458 | 0.3474 | -0.0230 | 1.6300 | O |
11 | 0.2786 | 0.0938 | 0.9937 | 1.7000 | O |
12 | 0.1363 | 0.5740 | 0.1438 | 2.5300 | O |
13 | 0.5789 | 0.5165 | 0.2761 | 1.1000 | O |
14 | 0.1351 | 0.2826 | 0.1225 | 2.0500 | O |
15 | 0.2967 | 0.7677 | 0.7887 | 2.7000 | O |
16 | 0.5186 | 0.0040 | 0.7596 | 2.8200 | O |
17 | 0.2930 | 0.1405 | 0.5798 | 2.2900 | O |
18 | 0.0573 | 0.8887 | 0.5972 | 3.1000 | O |
19 | 0.0834 | 0.9186 | 0.1365 | 2.4200 | O |
20 | -0.0907 | 0.5932 | 0.4146 | 6.1300 | O |
21 | 0.1060 | 0.4700 | 0.0730 | 3.0000 | H |
22 | 0.6780 | 0.5470 | 0.3510 | 3.0000 | H |
23 | 0.0630 | 0.1930 | 0.0550 | 3.0000 | H |
24 | 0.3790 | 0.7370 | 0.7400 | 3.0000 | H |
25 | 0.2900 | 0.6670 | 0.7100 | 3.0000 | H |
26 | 0.5910 | 0.0710 | 0.7320 | 3.0000 | H |
27 | 0.5800 | -0.0410 | 0.8340 | 3.0000 | H |
28 | 0.3970 | 0.1600 | 0.6130 | 3.0000 | H |
29 | 0.2880 | 0.2330 | 0.6760 | 3.0000 | H |
30 | 0.0150 | 0.7850 | 0.5450 | 3.0000 | H |
31 | 0.0000 | 0.9470 | 0.6750 | 3.0000 | H |
32 | 0.1390 | 0.8580 | 0.1860 | 3.0000 | H |
33 | 0.0810 | 0.9980 | 0.2590 | 3.0000 | H |
34 | -0.1480 | 0.5270 | 0.4650 | 3.0000 | H |
35 | -0.0670 | 0.5100 | 0.3190 | 3.0000 | H |