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 | 0.35508 | mx,my,mz | 0.78100 | 0.00000 | 4.14900 |
2 | 0.00000 | 0.00000 | 0.64492 | mx,my,mz | 0.78100 | 0.00000 | 4.14900 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.02175 | mx,my,mz | 0.78100 | 0.00000 | 4.14900 |
4 | 0.33333 | 0.66667 | 0.31159 | mx,my,mz | 0.78100 | 0.00000 | 4.14900 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.68841 | mx,my,mz | 0.78100 | 0.00000 | 4.14900 |
6 | 0.66667 | 0.33333 | 0.97825 | mx,my,mz | 0.78100 | 0.00000 | 4.14900 |
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 | 0.00000 | 0.00000 | 0.14492 | mx,my,mz | -0.78100 | 0.00000 | -4.14900 |
2 | 0.00000 | 0.00000 | 0.85508 | mx,my,mz | -0.78100 | 0.00000 | -4.14900 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.81159 | mx,my,mz | -0.78100 | 0.00000 | -4.14900 |
4 | 0.33333 | 0.66667 | 0.52175 | mx,my,mz | -0.78100 | 0.00000 | -4.14900 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.47825 | mx,my,mz | -0.78100 | 0.00000 | -4.14900 |
6 | 0.66667 | 0.33333 | 0.18841 | mx,my,mz | -0.78100 | 0.00000 | -4.14900 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.30602 | 0.00000 | 0.25000 |
2 | 0.69398 | 0.00000 | 0.75000 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.63935 | 0.66667 | 0.91667 |
4 | 0.02731 | 0.66667 | 0.41667 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.97269 | 0.33333 | 0.58333 |
6 | 0.36065 | 0.33333 | 0.08333 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.00000 | 0.30602 | 0.25000 |
2 | 0.00000 | 0.69398 | 0.75000 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.97269 | 0.91667 |
4 | 0.33333 | 0.36065 | 0.41667 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.63935 | 0.58333 |
6 | 0.66667 | 0.02731 | 0.08333 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.69398 | 0.69398 | 0.25000 |
2 | 0.30602 | 0.30602 | 0.75000 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.02731 | 0.36065 | 0.91667 |
4 | 0.63935 | 0.97269 | 0.41667 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.36065 | 0.02731 | 0.58333 |
6 | 0.97269 | 0.63935 | 0.08333 |
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