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_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.21518 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
2 | 0.00000 | 0.00000 | 0.78482 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
(1/9,8/9,2/3) + set click here to show and hide |
3 | 0.11111 | 0.88889 | 0.88185 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
4 | 0.11111 | 0.88889 | 0.45149 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
(2/9,7/9,1/3) + set click here to show and hide |
5 | 0.22222 | 0.77778 | 0.54851 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
6 | 0.22222 | 0.77778 | 0.11815 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.33333 | 0.66667 | 0.21518 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
8 | 0.33333 | 0.66667 | 0.78482 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
(4/9,5/9,2/3) + set click here to show and hide |
9 | 0.44444 | 0.55556 | 0.88185 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
10 | 0.44444 | 0.55556 | 0.45149 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
(5/9,4/9,1/3) + set click here to show and hide |
11 | 0.55556 | 0.44444 | 0.54851 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
12 | 0.55556 | 0.44444 | 0.11815 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.66667 | 0.33333 | 0.21518 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
14 | 0.66667 | 0.33333 | 0.78482 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
(7/9,2/9,2/3) + set click here to show and hide |
15 | 0.77778 | 0.22222 | 0.88185 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
16 | 0.77778 | 0.22222 | 0.45149 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
(8/9,1/9,1/3) + set click here to show and hide |
17 | 0.88889 | 0.11111 | 0.54851 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
18 | 0.88889 | 0.11111 | 0.11815 | mx,-mx,mz | 0.00000 | 0.00000 | 4.50000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.22222 | 0.11111 | 0.54851 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
2 | 0.77778 | 0.88889 | 0.45149 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
3 | 0.11111 | 0.22222 | 0.45149 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
4 | 0.88889 | 0.77778 | 0.54851 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
(1/9,8/9,2/3) + set click here to show and hide |
5 | 0.33333 | 0.00000 | 0.21518 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
6 | 0.88889 | 0.77778 | 0.11816 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
7 | 0.22222 | 0.11111 | 0.11816 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
8 | 0.00000 | 0.66667 | 0.21518 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
(2/9,7/9,1/3) + set click here to show and hide |
9 | 0.44444 | 0.88889 | 0.88184 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
10 | 0.00000 | 0.66667 | 0.78482 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
11 | 0.33333 | 0.00000 | 0.78482 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
12 | 0.11111 | 0.55556 | 0.88184 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
(1/3,2/3,0) + set click here to show and hide |
13 | 0.55555 | 0.77778 | 0.54851 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
14 | 0.11111 | 0.55556 | 0.45149 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
15 | 0.44444 | 0.88889 | 0.45149 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
16 | 0.22222 | 0.44445 | 0.54851 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
(4/9,5/9,2/3) + set click here to show and hide |
17 | 0.66666 | 0.66667 | 0.21518 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
18 | 0.22222 | 0.44445 | 0.11816 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
19 | 0.55555 | 0.77778 | 0.11816 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
20 | 0.33333 | 0.33334 | 0.21518 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
(5/9,4/9,1/3) + set click here to show and hide |
21 | 0.77778 | 0.55555 | 0.88184 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
22 | 0.33334 | 0.33333 | 0.78482 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
23 | 0.66667 | 0.66666 | 0.78482 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
24 | 0.44445 | 0.22222 | 0.88184 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
(2/3,1/3,0) + set click here to show and hide |
25 | 0.88889 | 0.44444 | 0.54851 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
26 | 0.44445 | 0.22222 | 0.45149 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
27 | 0.77778 | 0.55555 | 0.45149 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
28 | 0.55556 | 0.11111 | 0.54851 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
(7/9,2/9,2/3) + set click here to show and hide |
29 | 0.00000 | 0.33333 | 0.21518 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
30 | 0.55556 | 0.11111 | 0.11816 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
31 | 0.88889 | 0.44444 | 0.11816 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
32 | 0.66667 | 0.00000 | 0.21518 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
(8/9,1/9,1/3) + set click here to show and hide |
33 | 0.11111 | 0.22222 | 0.88184 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
34 | 0.66667 | 0.00000 | 0.78482 | mx,my,mz | 0.00000 | 0.00000 | -4.50000 |
35 | 0.00000 | 0.33333 | 0.78482 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
36 | 0.77778 | 0.88889 | 0.88184 | -my,-mx,mz | 0.00000 | 0.00000 | -4.50000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Lu1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(1/9,8/9,2/3) + set click here to show and hide |
2 | 0.11111 | 0.88889 | 0.66667 |
(2/9,7/9,1/3) + set click here to show and hide |
3 | 0.22222 | 0.77778 | 0.33333 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.00000 |
(4/9,5/9,2/3) + set click here to show and hide |
5 | 0.44444 | 0.55556 | 0.66667 |
(5/9,4/9,1/3) + set click here to show and hide |
6 | 0.55556 | 0.44444 | 0.33333 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.00000 |
(7/9,2/9,2/3) + set click here to show and hide |
8 | 0.77778 | 0.22222 | 0.66667 |
(8/9,1/9,1/3) + set click here to show and hide |
9 | 0.88889 | 0.11111 | 0.33333 |
Set of atoms in the unit cell related by symmetry with the atom Lu1_2:
Atom | x | y | z |
1 | 0.22222 | 0.11111 | 0.33333 |
2 | 0.77778 | 0.88889 | 0.66667 |
(1/9,8/9,2/3) + set click here to show and hide |
3 | 0.33333 | 0.00000 | 0.00000 |
4 | 0.88889 | 0.77778 | 0.33334 |
(2/9,7/9,1/3) + set click here to show and hide |
5 | 0.44444 | 0.88889 | 0.66666 |
6 | 0.00000 | 0.66667 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.55555 | 0.77778 | 0.33333 |
8 | 0.11111 | 0.55556 | 0.66667 |
(4/9,5/9,2/3) + set click here to show and hide |
9 | 0.66666 | 0.66667 | 0.00000 |
10 | 0.22222 | 0.44445 | 0.33334 |
(5/9,4/9,1/3) + set click here to show and hide |
11 | 0.77778 | 0.55555 | 0.66666 |
12 | 0.33334 | 0.33333 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.88889 | 0.44444 | 0.33333 |
14 | 0.44445 | 0.22222 | 0.66667 |
(7/9,2/9,2/3) + set click here to show and hide |
15 | 0.00000 | 0.33333 | 0.00000 |
16 | 0.55556 | 0.11111 | 0.33334 |
(8/9,1/9,1/3) + set click here to show and hide |
17 | 0.11111 | 0.22222 | 0.66666 |
18 | 0.66667 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.12810 |
2 | 0.00000 | 0.00000 | 0.87190 |
(1/9,8/9,2/3) + set click here to show and hide |
3 | 0.11111 | 0.88889 | 0.79477 |
4 | 0.11111 | 0.88889 | 0.53857 |
(2/9,7/9,1/3) + set click here to show and hide |
5 | 0.22222 | 0.77778 | 0.46143 |
6 | 0.22222 | 0.77778 | 0.20523 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.33333 | 0.66667 | 0.12810 |
8 | 0.33333 | 0.66667 | 0.87190 |
(4/9,5/9,2/3) + set click here to show and hide |
9 | 0.44444 | 0.55556 | 0.79477 |
10 | 0.44444 | 0.55556 | 0.53857 |
(5/9,4/9,1/3) + set click here to show and hide |
11 | 0.55556 | 0.44444 | 0.46143 |
12 | 0.55556 | 0.44444 | 0.20523 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.66667 | 0.33333 | 0.12810 |
14 | 0.66667 | 0.33333 | 0.87190 |
(7/9,2/9,2/3) + set click here to show and hide |
15 | 0.77778 | 0.22222 | 0.79477 |
16 | 0.77778 | 0.22222 | 0.53857 |
(8/9,1/9,1/3) + set click here to show and hide |
17 | 0.88889 | 0.11111 | 0.46143 |
18 | 0.88889 | 0.11111 | 0.20523 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.22222 | 0.11111 | 0.46143 |
2 | 0.77778 | 0.88889 | 0.53857 |
3 | 0.11111 | 0.22222 | 0.53857 |
4 | 0.88889 | 0.77778 | 0.46143 |
(1/9,8/9,2/3) + set click here to show and hide |
5 | 0.33333 | 0.00000 | 0.12810 |
6 | 0.88889 | 0.77778 | 0.20524 |
7 | 0.22222 | 0.11111 | 0.20524 |
8 | 0.00000 | 0.66667 | 0.12810 |
(2/9,7/9,1/3) + set click here to show and hide |
9 | 0.44444 | 0.88889 | 0.79476 |
10 | 0.00000 | 0.66667 | 0.87190 |
11 | 0.33333 | 0.00000 | 0.87190 |
12 | 0.11111 | 0.55556 | 0.79476 |
(1/3,2/3,0) + set click here to show and hide |
13 | 0.55555 | 0.77778 | 0.46143 |
14 | 0.11111 | 0.55556 | 0.53857 |
15 | 0.44444 | 0.88889 | 0.53857 |
16 | 0.22222 | 0.44445 | 0.46143 |
(4/9,5/9,2/3) + set click here to show and hide |
17 | 0.66666 | 0.66667 | 0.12810 |
18 | 0.22222 | 0.44445 | 0.20524 |
19 | 0.55555 | 0.77778 | 0.20524 |
20 | 0.33333 | 0.33334 | 0.12810 |
(5/9,4/9,1/3) + set click here to show and hide |
21 | 0.77778 | 0.55555 | 0.79476 |
22 | 0.33334 | 0.33333 | 0.87190 |
23 | 0.66667 | 0.66666 | 0.87190 |
24 | 0.44445 | 0.22222 | 0.79476 |
(2/3,1/3,0) + set click here to show and hide |
25 | 0.88889 | 0.44444 | 0.46143 |
26 | 0.44445 | 0.22222 | 0.53857 |
27 | 0.77778 | 0.55555 | 0.53857 |
28 | 0.55556 | 0.11111 | 0.46143 |
(7/9,2/9,2/3) + set click here to show and hide |
29 | 0.00000 | 0.33333 | 0.12810 |
30 | 0.55556 | 0.11111 | 0.20524 |
31 | 0.88889 | 0.44444 | 0.20524 |
32 | 0.66667 | 0.00000 | 0.12810 |
(8/9,1/9,1/3) + set click here to show and hide |
33 | 0.11111 | 0.22222 | 0.79476 |
34 | 0.66667 | 0.00000 | 0.87190 |
35 | 0.00000 | 0.33333 | 0.87190 |
36 | 0.77778 | 0.88889 | 0.79476 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.29260 |
2 | 0.00000 | 0.00000 | 0.70740 |
(1/9,8/9,2/3) + set click here to show and hide |
3 | 0.11111 | 0.88889 | 0.95927 |
4 | 0.11111 | 0.88889 | 0.37407 |
(2/9,7/9,1/3) + set click here to show and hide |
5 | 0.22222 | 0.77778 | 0.62593 |
6 | 0.22222 | 0.77778 | 0.04073 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.33333 | 0.66667 | 0.29260 |
8 | 0.33333 | 0.66667 | 0.70740 |
(4/9,5/9,2/3) + set click here to show and hide |
9 | 0.44444 | 0.55556 | 0.95927 |
10 | 0.44444 | 0.55556 | 0.37407 |
(5/9,4/9,1/3) + set click here to show and hide |
11 | 0.55556 | 0.44444 | 0.62593 |
12 | 0.55556 | 0.44444 | 0.04073 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.66667 | 0.33333 | 0.29260 |
14 | 0.66667 | 0.33333 | 0.70740 |
(7/9,2/9,2/3) + set click here to show and hide |
15 | 0.77778 | 0.22222 | 0.95927 |
16 | 0.77778 | 0.22222 | 0.37407 |
(8/9,1/9,1/3) + set click here to show and hide |
17 | 0.88889 | 0.11111 | 0.62593 |
18 | 0.88889 | 0.11111 | 0.04073 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.22222 | 0.11111 | 0.62593 |
2 | 0.77778 | 0.88889 | 0.37407 |
3 | 0.11111 | 0.22222 | 0.37407 |
4 | 0.88889 | 0.77778 | 0.62593 |
(1/9,8/9,2/3) + set click here to show and hide |
5 | 0.33333 | 0.00000 | 0.29260 |
6 | 0.88889 | 0.77778 | 0.04074 |
7 | 0.22222 | 0.11111 | 0.04074 |
8 | 0.00000 | 0.66667 | 0.29260 |
(2/9,7/9,1/3) + set click here to show and hide |
9 | 0.44444 | 0.88889 | 0.95926 |
10 | 0.00000 | 0.66667 | 0.70740 |
11 | 0.33333 | 0.00000 | 0.70740 |
12 | 0.11111 | 0.55556 | 0.95926 |
(1/3,2/3,0) + set click here to show and hide |
13 | 0.55555 | 0.77778 | 0.62593 |
14 | 0.11111 | 0.55556 | 0.37407 |
15 | 0.44444 | 0.88889 | 0.37407 |
16 | 0.22222 | 0.44445 | 0.62593 |
(4/9,5/9,2/3) + set click here to show and hide |
17 | 0.66666 | 0.66667 | 0.29260 |
18 | 0.22222 | 0.44445 | 0.04074 |
19 | 0.55555 | 0.77778 | 0.04074 |
20 | 0.33333 | 0.33334 | 0.29260 |
(5/9,4/9,1/3) + set click here to show and hide |
21 | 0.77778 | 0.55555 | 0.95926 |
22 | 0.33334 | 0.33333 | 0.70740 |
23 | 0.66667 | 0.66666 | 0.70740 |
24 | 0.44445 | 0.22222 | 0.95926 |
(2/3,1/3,0) + set click here to show and hide |
25 | 0.88889 | 0.44444 | 0.62593 |
26 | 0.44445 | 0.22222 | 0.37407 |
27 | 0.77778 | 0.55555 | 0.37407 |
28 | 0.55556 | 0.11111 | 0.62593 |
(7/9,2/9,2/3) + set click here to show and hide |
29 | 0.00000 | 0.33333 | 0.29260 |
30 | 0.55556 | 0.11111 | 0.04074 |
31 | 0.88889 | 0.44444 | 0.04074 |
32 | 0.66667 | 0.00000 | 0.29260 |
(8/9,1/9,1/3) + set click here to show and hide |
33 | 0.11111 | 0.22222 | 0.95926 |
34 | 0.66667 | 0.00000 | 0.70740 |
35 | 0.00000 | 0.33333 | 0.70740 |
36 | 0.77778 | 0.88889 | 0.95926 |
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