Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:
Magnetic atoms:
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.33320 | 0,0,mz | 0.00000 | 0.00000 | 4.90000 |
2 | 0.00000 | 0.00000 | 0.66680 | 0,0,mz | 0.00000 | 0.00000 | 4.90000 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.66653 | 0,0,mz | 0.00000 | 0.00000 | 4.90000 |
4 | 0.33333 | 0.66667 | 0.00013 | 0,0,mz | 0.00000 | 0.00000 | 4.90000 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.99987 | 0,0,mz | 0.00000 | 0.00000 | 4.90000 |
6 | 0.66667 | 0.33333 | 0.33347 | 0,0,mz | 0.00000 | 0.00000 | 4.90000 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.83320 | 0,0,-mz | 0.00000 | 0.00000 | -4.90000 |
8 | 0.00000 | 0.00000 | 0.16680 | 0,0,-mz | 0.00000 | 0.00000 | -4.90000 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.16653 | 0,0,-mz | 0.00000 | 0.00000 | -4.90000 |
10 | 0.33333 | 0.66667 | 0.50013 | 0,0,-mz | 0.00000 | 0.00000 | -4.90000 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.49987 | 0,0,-mz | 0.00000 | 0.00000 | -4.90000 |
12 | 0.66667 | 0.33333 | 0.83347 | 0,0,-mz | 0.00000 | 0.00000 | -4.90000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Br1:
Atom | x | y | z |
1 | 0.35261 | 0.00066 | 0.03963 |
2 | 0.99934 | 0.35195 | 0.03963 |
3 | 0.64805 | 0.64739 | 0.03963 |
4 | 0.64739 | 0.99934 | 0.96037 |
5 | 0.00066 | 0.64805 | 0.96037 |
6 | 0.35195 | 0.35261 | 0.96037 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.68594 | 0.66733 | 0.37296 |
8 | 0.33267 | 0.01862 | 0.37296 |
9 | 0.98138 | 0.31406 | 0.37296 |
10 | 0.98072 | 0.66601 | 0.29370 |
11 | 0.33399 | 0.31472 | 0.29370 |
12 | 0.68528 | 0.01928 | 0.29370 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.01928 | 0.33399 | 0.70630 |
14 | 0.66601 | 0.68528 | 0.70630 |
15 | 0.31472 | 0.98072 | 0.70630 |
16 | 0.31406 | 0.33267 | 0.62704 |
17 | 0.66733 | 0.98138 | 0.62704 |
18 | 0.01862 | 0.68594 | 0.62704 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.35261 | 0.00066 | 0.53963 |
20 | 0.99934 | 0.35195 | 0.53963 |
21 | 0.64805 | 0.64739 | 0.53963 |
22 | 0.64739 | 0.99934 | 0.46037 |
23 | 0.00066 | 0.64805 | 0.46037 |
24 | 0.35195 | 0.35261 | 0.46037 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.68594 | 0.66733 | 0.87296 |
26 | 0.33267 | 0.01862 | 0.87296 |
27 | 0.98138 | 0.31406 | 0.87296 |
28 | 0.98072 | 0.66601 | 0.79370 |
29 | 0.33399 | 0.31472 | 0.79370 |
30 | 0.68528 | 0.01928 | 0.79370 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.01928 | 0.33399 | 0.20630 |
32 | 0.66601 | 0.68528 | 0.20630 |
33 | 0.31472 | 0.98072 | 0.20630 |
34 | 0.31406 | 0.33267 | 0.12704 |
35 | 0.66733 | 0.98138 | 0.12704 |
36 | 0.01862 | 0.68594 | 0.12704 |
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