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 | 0.00000 | mx,my,mz | 1.42700 | 0.00000 | 4.18700 |
2 | 0.00000 | 0.00000 | 0.50000 | -mx,my,-mz | -1.42700 | 0.00000 | -4.18700 |
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3 | 0.50000 | 0.50000 | 0.00000 | -mx,-my,-mz | -1.42700 | 0.00000 | -4.18700 |
4 | 0.50000 | 0.50000 | 0.50000 | mx,-my,mz | 1.42700 | 0.00000 | 4.18700 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Na1:
Atom | x | y | z |
1 | 0.00000 | 0.33710 | 0.25000 |
2 | 0.00000 | 0.66290 | 0.75000 |
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3 | 0.50000 | 0.83710 | 0.25000 |
4 | 0.50000 | 0.16290 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom S1:
Atom | x | y | z |
1 | 0.00000 | 0.67890 | 0.25000 |
2 | 0.00000 | 0.32110 | 0.75000 |
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3 | 0.50000 | 0.17890 | 0.25000 |
4 | 0.50000 | 0.82110 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.60680 | 0.27780 | 0.14830 |
2 | 0.39320 | 0.27780 | 0.35170 |
3 | 0.39320 | 0.72220 | 0.85170 |
4 | 0.60680 | 0.72220 | 0.64830 |
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5 | 0.10680 | 0.77780 | 0.14830 |
6 | 0.89320 | 0.77780 | 0.35170 |
7 | 0.89320 | 0.22220 | 0.85170 |
8 | 0.10680 | 0.22220 | 0.64830 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.33870 | 0.08100 | 0.09850 |
2 | 0.66130 | 0.08100 | 0.40150 |
3 | 0.66130 | 0.91900 | 0.90150 |
4 | 0.33870 | 0.91900 | 0.59850 |
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5 | 0.83870 | 0.58100 | 0.09850 |
6 | 0.16130 | 0.58100 | 0.40150 |
7 | 0.16130 | 0.41900 | 0.90150 |
8 | 0.83870 | 0.41900 | 0.59850 |
Set of atoms in the unit cell related by symmetry with the atom F1:
Atom | x | y | z |
1 | 0.00000 | 0.08560 | 0.25000 |
2 | 0.00000 | 0.91440 | 0.75000 |
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3 | 0.50000 | 0.58560 | 0.25000 |
4 | 0.50000 | 0.41440 | 0.75000 |
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