N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.4098 | 0.2525 | 0.2815 | 2.0000 | Mn=0.9070, Mg=0.0930 |
2 | 0.1843 | 0.2594 | 0.1961 | 1.8700 | Mn=0.9350, Mg=0.0650 |
3 | 0.0392 | 0.2462 | 0.3637 | 1.8300 | Zn=0.9370, Mg=0.0630 |
4 | 0.2500 | 0.2816 | 0.0000 | 1.7800 | Zn=0.6690, Mg=0.3310 |
5 | 0.3723 | 0.4133 | 0.4758 | 1.9000 | C |
6 | 0.0762 | 0.2547 | 0.4941 | 2.8000 | O |
7 | 0.4733 | 0.0897 | 0.1752 | 2.3000 | O |
8 | 0.1182 | 0.0806 | 0.2960 | 1.9000 | O |
9 | 0.0654 | 0.4340 | 0.1413 | 1.7000 | O |
10 | 0.2447 | 0.4649 | 0.1022 | 2.9000 | O |
11 | 0.3436 | 0.0708 | 0.0302 | 2.6000 | O |
12 | 0.3496 | 0.4340 | 0.3932 | 2.3000 | O |
13 | 0.3009 | 0.0732 | 0.2235 | 1.7000 | O |
14 | 0.4400 | 0.1600 | 0.1260 | 4.0000 | H |
15 | 0.1640 | 0.0600 | 0.3420 | 4.0000 | H |
16 | 0.0700 | 0.4720 | 0.0780 | 4.0000 | H |
17 | 0.2850 | 0.1120 | 0.4100 | 4.0000 | H |
18 | 0.3130 | 0.0480 | 0.1620 | 4.0000 | H |