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 | 0.73450 | 0.11310 | mx,my,mz | 1.60000 | 1.50000 | 3.20000 |
2 | 0.00000 | 0.26550 | 0.61310 | -mx,my,-mz | -1.60000 | 1.50000 | -3.20000 |
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3 | 0.50000 | 0.23450 | 0.11310 | mx,my,mz | 1.60000 | 1.50000 | 3.20000 |
4 | 0.50000 | 0.76550 | 0.61310 | -mx,my,-mz | -1.60000 | 1.50000 | -3.20000 |
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 | 0.73450 | 0.38690 | mx,my,mz | -1.60000 | 1.50000 | -3.20000 |
2 | 0.00000 | 0.26550 | 0.88690 | -mx,my,-mz | 1.60000 | 1.50000 | 3.20000 |
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3 | 0.50000 | 0.23450 | 0.38690 | mx,my,mz | -1.60000 | 1.50000 | -3.20000 |
4 | 0.50000 | 0.76550 | 0.88690 | -mx,my,-mz | 1.60000 | 1.50000 | 3.20000 |
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 | mx,my,mz | -1.70000 | -1.00000 | -2.40000 |
2 | 0.00000 | 0.00000 | 0.50000 | -mx,my,-mz | 1.70000 | -1.00000 | 2.40000 |
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3 | 0.50000 | 0.50000 | 0.00000 | mx,my,mz | -1.70000 | -1.00000 | -2.40000 |
4 | 0.50000 | 0.50000 | 0.50000 | -mx,my,-mz | 1.70000 | -1.00000 | 2.40000 |
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 | 0.00000 | 0.48120 | 0.25000 | mx,my,mz | 0.00000 | -2.60000 | 1.70000 |
2 | 0.00000 | 0.51880 | 0.75000 | -mx,my,-mz | 0.00000 | -2.60000 | -1.70000 |
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3 | 0.50000 | 0.98120 | 0.25000 | mx,my,mz | 0.00000 | -2.60000 | 1.70000 |
4 | 0.50000 | 0.01880 | 0.75000 | -mx,my,-mz | 0.00000 | -2.60000 | -1.70000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Mn2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.50000 |
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3 | 0.50000 | 0.50000 | 0.00000 |
4 | 0.50000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Fe3:
Atom | x | y | z |
1 | 0.00000 | 0.48120 | 0.25000 |
2 | 0.00000 | 0.51880 | 0.75000 |
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3 | 0.50000 | 0.98120 | 0.25000 |
4 | 0.50000 | 0.01880 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.81880 | 0.25000 |
2 | 0.00000 | 0.18120 | 0.75000 |
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3 | 0.50000 | 0.31880 | 0.25000 |
4 | 0.50000 | 0.68120 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.00000 | 0.34690 | 0.04730 |
2 | 0.00000 | 0.65310 | 0.54730 |
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3 | 0.50000 | 0.84690 | 0.04730 |
4 | 0.50000 | 0.15310 | 0.54730 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.00000 | 0.34690 | 0.45270 |
2 | 0.00000 | 0.65310 | 0.95270 |
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3 | 0.50000 | 0.84690 | 0.45270 |
4 | 0.50000 | 0.15310 | 0.95270 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.00000 | 0.09920 | 0.14100 |
2 | 0.00000 | 0.90080 | 0.64100 |
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3 | 0.50000 | 0.59920 | 0.14100 |
4 | 0.50000 | 0.40080 | 0.64100 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.00000 | 0.09920 | 0.35900 |
2 | 0.00000 | 0.90080 | 0.85900 |
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3 | 0.50000 | 0.59920 | 0.35900 |
4 | 0.50000 | 0.40080 | 0.85900 |
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