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 | 0.50518 | 0.25000 | 0,my,mz | 0.00000 | 0.00000 | -3.00000 |
2 | 0.00000 | 0.49482 | 0.75000 | 0,my,-mz | 0.00000 | 0.00000 | 3.00000 |
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3 | 0.50000 | 0.00518 | 0.25000 | 0,my,mz | 0.00000 | 0.00000 | -3.00000 |
4 | 0.50000 | 0.99482 | 0.75000 | 0,my,-mz | 0.00000 | 0.00000 | 3.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | 0,my,mz | 0.00000 | 0.00000 | 3.00000 |
2 | 0.00000 | 0.00000 | 0.50000 | 0,my,-mz | 0.00000 | 0.00000 | -3.00000 |
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3 | 0.50000 | 0.50000 | 0.00000 | 0,my,mz | 0.00000 | 0.00000 | 3.00000 |
4 | 0.50000 | 0.50000 | 0.50000 | 0,my,-mz | 0.00000 | 0.00000 | -3.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.26037 | 0.11742 | 0,my,mz | 0.00000 | 0.00000 | 3.00000 |
2 | 0.00000 | 0.73963 | 0.61742 | 0,my,-mz | 0.00000 | 0.00000 | -3.00000 |
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3 | 0.50000 | 0.76037 | 0.11742 | 0,my,mz | 0.00000 | 0.00000 | 3.00000 |
4 | 0.50000 | 0.23963 | 0.61742 | 0,my,-mz | 0.00000 | 0.00000 | -3.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.26037 | 0.38258 | 0,my,mz | 0.00000 | 0.00000 | 3.00000 |
2 | 0.00000 | 0.73963 | 0.88258 | 0,my,-mz | 0.00000 | 0.00000 | -3.00000 |
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3 | 0.50000 | 0.76037 | 0.38258 | 0,my,mz | 0.00000 | 0.00000 | 3.00000 |
4 | 0.50000 | 0.23963 | 0.88258 | 0,my,-mz | 0.00000 | 0.00000 | -3.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00000 | 0.35900 | 0.54417 |
2 | 0.00000 | 0.64100 | 0.04417 |
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3 | 0.50000 | 0.85900 | 0.54417 |
4 | 0.50000 | 0.14100 | 0.04417 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.00000 | 0.35900 | 0.95583 |
2 | 0.00000 | 0.64100 | 0.45583 |
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3 | 0.50000 | 0.85900 | 0.95583 |
4 | 0.50000 | 0.14100 | 0.45583 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.00000 | 0.16010 | 0.25000 |
2 | 0.00000 | 0.83990 | 0.75000 |
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3 | 0.50000 | 0.66010 | 0.25000 |
4 | 0.50000 | 0.33990 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.00000 | 0.09300 | 0.64222 |
2 | 0.00000 | 0.90700 | 0.14222 |
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3 | 0.50000 | 0.59300 | 0.64222 |
4 | 0.50000 | 0.40700 | 0.14222 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.00000 | 0.09300 | 0.85778 |
2 | 0.00000 | 0.90700 | 0.35778 |
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3 | 0.50000 | 0.59300 | 0.85778 |
4 | 0.50000 | 0.40700 | 0.35778 |
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