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 | 0.25000 | 0.25000 | 0.25000 | mx,my,mz | 0.00000 | 0.00000 | 2.48000 |
2 | 0.75000 | 0.25000 | 0.25000 | -mx,-my,mz | 0.00000 | 0.00000 | 2.48000 |
3 | 0.25000 | 0.75000 | 0.25000 | -mx,my,mz | 0.00000 | 0.00000 | 2.48000 |
4 | 0.25000 | 0.25000 | 0.75000 | mx,-my,mz | 0.00000 | 0.00000 | 2.48000 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.75000 | 0.75000 | 0.75000 | mx,my,mz | 0.00000 | 0.00000 | 2.48000 |
6 | 0.25000 | 0.75000 | 0.75000 | -mx,-my,mz | 0.00000 | 0.00000 | 2.48000 |
7 | 0.75000 | 0.25000 | 0.75000 | -mx,my,mz | 0.00000 | 0.00000 | 2.48000 |
8 | 0.75000 | 0.75000 | 0.25000 | mx,-my,mz | 0.00000 | 0.00000 | 2.48000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.25000 | 0.25000 | mx,my,mz | 0.00000 | 0.00000 | -1.00000 |
2 | 0.75000 | 0.25000 | 0.25000 | -mx,-my,mz | 0.00000 | 0.00000 | -1.00000 |
3 | 0.25000 | 0.75000 | 0.25000 | -mx,my,mz | 0.00000 | 0.00000 | -1.00000 |
4 | 0.25000 | 0.25000 | 0.75000 | mx,-my,mz | 0.00000 | 0.00000 | -1.00000 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.75000 | 0.75000 | 0.75000 | mx,my,mz | 0.00000 | 0.00000 | -1.00000 |
6 | 0.25000 | 0.75000 | 0.75000 | -mx,-my,mz | 0.00000 | 0.00000 | -1.00000 |
7 | 0.75000 | 0.25000 | 0.75000 | -mx,my,mz | 0.00000 | 0.00000 | -1.00000 |
8 | 0.75000 | 0.75000 | 0.25000 | mx,-my,mz | 0.00000 | 0.00000 | -1.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.97576 | 0.00000 | 0.25000 | 0,my,mz | 0.00000 | 0.00000 | 3.97000 |
2 | 0.02424 | 0.50000 | 0.25000 | 0,-my,mz | 0.00000 | 0.00000 | 3.97000 |
3 | 0.02424 | 0.00000 | 0.75000 | 0,my,mz | 0.00000 | 0.00000 | 3.97000 |
4 | 0.97576 | 0.50000 | 0.75000 | 0,-my,mz | 0.00000 | 0.00000 | 3.97000 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.47576 | 0.50000 | 0.75000 | 0,my,mz | 0.00000 | 0.00000 | 3.97000 |
6 | 0.52424 | 0.00000 | 0.75000 | 0,-my,mz | 0.00000 | 0.00000 | 3.97000 |
7 | 0.52424 | 0.50000 | 0.25000 | 0,my,mz | 0.00000 | 0.00000 | 3.97000 |
8 | 0.47576 | 0.00000 | 0.25000 | 0,-my,mz | 0.00000 | 0.00000 | 3.97000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.97576 | 0.00000 | mx,0,mz | 0.00000 | 0.00000 | 3.97000 |
2 | 0.75000 | 0.52424 | 0.00000 | -mx,0,mz | 0.00000 | 0.00000 | 3.97000 |
3 | 0.75000 | 0.02424 | 0.00000 | mx,0,mz | 0.00000 | 0.00000 | 3.97000 |
4 | 0.25000 | 0.47576 | 0.00000 | -mx,0,mz | 0.00000 | 0.00000 | 3.97000 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.75000 | 0.47576 | 0.50000 | mx,0,mz | 0.00000 | 0.00000 | 3.97000 |
6 | 0.25000 | 0.02424 | 0.50000 | -mx,0,mz | 0.00000 | 0.00000 | 3.97000 |
7 | 0.25000 | 0.52424 | 0.50000 | mx,0,mz | 0.00000 | 0.00000 | 3.97000 |
8 | 0.75000 | 0.97576 | 0.50000 | -mx,0,mz | 0.00000 | 0.00000 | 3.97000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.25000 | 0.97576 | 0,0,mz | 0.00000 | 0.00000 | 3.97000 |
2 | 0.00000 | 0.75000 | 0.02424 | 0,0,mz | 0.00000 | 0.00000 | 3.97000 |
3 | 0.00000 | 0.75000 | 0.52424 | 0,0,mz | 0.00000 | 0.00000 | 3.97000 |
4 | 0.00000 | 0.25000 | 0.47576 | 0,0,mz | 0.00000 | 0.00000 | 3.97000 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.50000 | 0.75000 | 0.47576 | 0,0,mz | 0.00000 | 0.00000 | 3.97000 |
6 | 0.50000 | 0.25000 | 0.52424 | 0,0,mz | 0.00000 | 0.00000 | 3.97000 |
7 | 0.50000 | 0.25000 | 0.02424 | 0,0,mz | 0.00000 | 0.00000 | 3.97000 |
8 | 0.50000 | 0.75000 | 0.97576 | 0,0,mz | 0.00000 | 0.00000 | 3.97000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.97576 | 0.00000 | 0.25000 | 0,my,mz | 0.00000 | 0.00000 | -3.01000 |
2 | 0.02424 | 0.50000 | 0.25000 | 0,-my,mz | 0.00000 | 0.00000 | -3.01000 |
3 | 0.02424 | 0.00000 | 0.75000 | 0,my,mz | 0.00000 | 0.00000 | -3.01000 |
4 | 0.97576 | 0.50000 | 0.75000 | 0,-my,mz | 0.00000 | 0.00000 | -3.01000 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.47576 | 0.50000 | 0.75000 | 0,my,mz | 0.00000 | 0.00000 | -3.01000 |
6 | 0.52424 | 0.00000 | 0.75000 | 0,-my,mz | 0.00000 | 0.00000 | -3.01000 |
7 | 0.52424 | 0.50000 | 0.25000 | 0,my,mz | 0.00000 | 0.00000 | -3.01000 |
8 | 0.47576 | 0.00000 | 0.25000 | 0,-my,mz | 0.00000 | 0.00000 | -3.01000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.97576 | 0.00000 | mx,0,mz | 0.00000 | 0.00000 | -3.01000 |
2 | 0.75000 | 0.52424 | 0.00000 | -mx,0,mz | 0.00000 | 0.00000 | -3.01000 |
3 | 0.75000 | 0.02424 | 0.00000 | mx,0,mz | 0.00000 | 0.00000 | -3.01000 |
4 | 0.25000 | 0.47576 | 0.00000 | -mx,0,mz | 0.00000 | 0.00000 | -3.01000 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.75000 | 0.47576 | 0.50000 | mx,0,mz | 0.00000 | 0.00000 | -3.01000 |
6 | 0.25000 | 0.02424 | 0.50000 | -mx,0,mz | 0.00000 | 0.00000 | -3.01000 |
7 | 0.25000 | 0.52424 | 0.50000 | mx,0,mz | 0.00000 | 0.00000 | -3.01000 |
8 | 0.75000 | 0.97576 | 0.50000 | -mx,0,mz | 0.00000 | 0.00000 | -3.01000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.25000 | 0.97576 | 0,0,mz | 0.00000 | 0.00000 | -3.01000 |
2 | 0.00000 | 0.75000 | 0.02424 | 0,0,mz | 0.00000 | 0.00000 | -3.01000 |
3 | 0.00000 | 0.75000 | 0.52424 | 0,0,mz | 0.00000 | 0.00000 | -3.01000 |
4 | 0.00000 | 0.25000 | 0.47576 | 0,0,mz | 0.00000 | 0.00000 | -3.01000 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.50000 | 0.75000 | 0.47576 | 0,0,mz | 0.00000 | 0.00000 | -3.01000 |
6 | 0.50000 | 0.25000 | 0.52424 | 0,0,mz | 0.00000 | 0.00000 | -3.01000 |
7 | 0.50000 | 0.25000 | 0.02424 | 0,0,mz | 0.00000 | 0.00000 | -3.01000 |
8 | 0.50000 | 0.75000 | 0.97576 | 0,0,mz | 0.00000 | 0.00000 | -3.01000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.33510 | 0.11011 | 0.12500 |
2 | 0.66490 | 0.38989 | 0.12500 |
3 | 0.66490 | 0.88989 | 0.87500 |
4 | 0.33510 | 0.61011 | 0.87500 |
5 | 0.33510 | 0.88989 | 0.37500 |
6 | 0.16490 | 0.11011 | 0.87500 |
7 | 0.66490 | 0.11011 | 0.62500 |
8 | 0.83510 | 0.88989 | 0.12500 |
(1/2,1/2,1/2) + set click here to show and hide |
9 | 0.83510 | 0.61011 | 0.62500 |
10 | 0.16490 | 0.88989 | 0.62500 |
11 | 0.16490 | 0.38989 | 0.37500 |
12 | 0.83510 | 0.11011 | 0.37500 |
13 | 0.83510 | 0.38989 | 0.87500 |
14 | 0.66490 | 0.61011 | 0.37500 |
15 | 0.16490 | 0.61011 | 0.12500 |
16 | 0.33510 | 0.38989 | 0.62500 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.12500 | 0.33510 | 0.11011 |
2 | 0.87500 | 0.16490 | 0.11011 |
3 | 0.87500 | 0.66490 | 0.88989 |
4 | 0.12500 | 0.83510 | 0.88989 |
5 | 0.12500 | 0.66490 | 0.38989 |
6 | 0.37500 | 0.33510 | 0.88989 |
7 | 0.87500 | 0.33510 | 0.61011 |
8 | 0.62500 | 0.66490 | 0.11011 |
(1/2,1/2,1/2) + set click here to show and hide |
9 | 0.62500 | 0.83510 | 0.61011 |
10 | 0.37500 | 0.66490 | 0.61011 |
11 | 0.37500 | 0.16490 | 0.38989 |
12 | 0.62500 | 0.33510 | 0.38989 |
13 | 0.62500 | 0.16490 | 0.88989 |
14 | 0.87500 | 0.83510 | 0.38989 |
15 | 0.37500 | 0.83510 | 0.11011 |
16 | 0.12500 | 0.16490 | 0.61011 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.11011 | 0.12500 | 0.33510 |
2 | 0.88989 | 0.37500 | 0.33510 |
3 | 0.88989 | 0.87500 | 0.66490 |
4 | 0.11011 | 0.62500 | 0.66490 |
5 | 0.11011 | 0.87500 | 0.16490 |
6 | 0.38989 | 0.12500 | 0.66490 |
7 | 0.88989 | 0.12500 | 0.83510 |
8 | 0.61011 | 0.87500 | 0.33510 |
(1/2,1/2,1/2) + set click here to show and hide |
9 | 0.61011 | 0.62500 | 0.83510 |
10 | 0.38989 | 0.87500 | 0.83510 |
11 | 0.38989 | 0.37500 | 0.16490 |
12 | 0.61011 | 0.12500 | 0.16490 |
13 | 0.61011 | 0.37500 | 0.66490 |
14 | 0.88989 | 0.62500 | 0.16490 |
15 | 0.38989 | 0.62500 | 0.33510 |
16 | 0.11011 | 0.37500 | 0.83510 |
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