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 | 0.79356 | 0.02985 | 0.52800 | mx,my,mz | 0.00000 | -3.74000 | 0.00000 |
2 | 0.20644 | 0.97015 | 0.02800 | -mx,-my,mz | 0.00000 | 3.74000 | 0.00000 |
3 | 0.70644 | 0.02985 | 0.02800 | mx,-my,-mz | 0.00000 | 3.74000 | 0.00000 |
4 | 0.29356 | 0.97015 | 0.52800 | -mx,my,-mz | 0.00000 | -3.74000 | 0.00000 |
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5 | 0.29356 | 0.52985 | 0.52800 | -mx,-my,-mz | 0.00000 | 3.74000 | 0.00000 |
6 | 0.70644 | 0.47015 | 0.02800 | mx,my,-mz | 0.00000 | -3.74000 | 0.00000 |
7 | 0.20644 | 0.52985 | 0.02800 | -mx,my,mz | 0.00000 | -3.74000 | 0.00000 |
8 | 0.79356 | 0.47015 | 0.52800 | mx,-my,mz | 0.00000 | 3.74000 | 0.00000 |
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 | 0.95926 | 0.03894 | 0.51000 | mx,my,mz | 0.00000 | 3.74000 | 0.00000 |
2 | 0.04074 | 0.96106 | 0.01000 | -mx,-my,mz | 0.00000 | -3.74000 | 0.00000 |
3 | 0.54074 | 0.03894 | 0.01000 | mx,-my,-mz | 0.00000 | -3.74000 | 0.00000 |
4 | 0.45926 | 0.96106 | 0.51000 | -mx,my,-mz | 0.00000 | 3.74000 | 0.00000 |
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5 | 0.45926 | 0.53894 | 0.51000 | -mx,-my,-mz | 0.00000 | -3.74000 | 0.00000 |
6 | 0.54074 | 0.46106 | 0.01000 | mx,my,-mz | 0.00000 | 3.74000 | 0.00000 |
7 | 0.04074 | 0.53894 | 0.01000 | -mx,my,mz | 0.00000 | 3.74000 | 0.00000 |
8 | 0.95926 | 0.46106 | 0.51000 | mx,-my,mz | 0.00000 | -3.74000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.38210 | 0.25000 | 0.00000 |
2 | 0.61790 | 0.75000 | 0.50000 |
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3 | 0.88210 | 0.75000 | 0.00000 |
4 | 0.11790 | 0.25000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Ba2:
Atom | x | y | z |
1 | 0.86880 | 0.25000 | 0.02400 |
2 | 0.13120 | 0.75000 | 0.52400 |
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3 | 0.36880 | 0.75000 | 0.02400 |
4 | 0.63120 | 0.25000 | 0.52400 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.79853 | 0.25000 | 0.52000 |
2 | 0.20147 | 0.75000 | 0.02000 |
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3 | 0.29853 | 0.75000 | 0.52000 |
4 | 0.70147 | 0.25000 | 0.02000 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.87700 | 0.96080 | 0.38200 |
2 | 0.12300 | 0.03920 | 0.88200 |
3 | 0.62300 | 0.96080 | 0.88200 |
4 | 0.37700 | 0.03920 | 0.38200 |
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5 | 0.37700 | 0.46080 | 0.38200 |
6 | 0.62300 | 0.53920 | 0.88200 |
7 | 0.12300 | 0.46080 | 0.88200 |
8 | 0.87700 | 0.53920 | 0.38200 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.04039 | 0.96010 | 0.35500 |
2 | 0.95961 | 0.03990 | 0.85500 |
3 | 0.45961 | 0.96010 | 0.85500 |
4 | 0.54039 | 0.03990 | 0.35500 |
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5 | 0.54039 | 0.46010 | 0.35500 |
6 | 0.45961 | 0.53990 | 0.85500 |
7 | 0.95961 | 0.46010 | 0.85500 |
8 | 0.04039 | 0.53990 | 0.35500 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.96479 | 0.25000 | 0.41600 |
2 | 0.03521 | 0.75000 | 0.91600 |
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3 | 0.46479 | 0.75000 | 0.41600 |
4 | 0.53521 | 0.25000 | 0.91600 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.78818 | 0.97250 | 0.86200 |
2 | 0.21182 | 0.02750 | 0.36200 |
3 | 0.71182 | 0.97250 | 0.36200 |
4 | 0.28818 | 0.02750 | 0.86200 |
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5 | 0.28818 | 0.47250 | 0.86200 |
6 | 0.71182 | 0.52750 | 0.36200 |
7 | 0.21182 | 0.47250 | 0.36200 |
8 | 0.78818 | 0.52750 | 0.86200 |
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