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 Mn1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.37500 | 0.12500 | mx,my,mz | 0.00000 | 4.34000 | 0.00000 |
2 | 0.50000 | 0.87500 | 0.37500 | -mx,my,-mz | 0.00000 | 4.34000 | 0.00000 |
3 | 0.00000 | 0.12500 | 0.87500 | mx,my,mz | 0.00000 | 4.34000 | 0.00000 |
4 | 0.50000 | 0.62500 | 0.62500 | -mx,my,-mz | 0.00000 | 4.34000 | 0.00000 |
5 | 0.50000 | 0.12500 | 0.62500 | mx,my,-mz | 0.00000 | 4.34000 | 0.00000 |
6 | 0.00000 | 0.62500 | 0.87500 | -mx,my,mz | 0.00000 | 4.34000 | 0.00000 |
7 | 0.50000 | 0.37500 | 0.37500 | mx,my,-mz | 0.00000 | 4.34000 | 0.00000 |
8 | 0.00000 | 0.87500 | 0.12500 | -mx,my,mz | 0.00000 | 4.34000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.50000 | 0,my,mz | 0.00000 | -1.38000 | 3.37000 |
2 | 0.50000 | 0.50000 | 0.00000 | 0,my,-mz | 0.00000 | -1.38000 | -3.37000 |
3 | 0.00000 | 0.50000 | 0.50000 | 0,my,mz | 0.00000 | -1.38000 | 3.37000 |
4 | 0.50000 | 0.00000 | 0.00000 | 0,my,-mz | 0.00000 | -1.38000 | -3.37000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.37500 | 0.75000 | mx,my,mz | 0.00000 | -1.08000 | 3.07000 |
2 | 0.25000 | 0.87500 | 0.75000 | -mx,my,-mz | 0.00000 | -1.08000 | -3.07000 |
3 | 0.75000 | 0.12500 | 0.25000 | mx,my,mz | 0.00000 | -1.08000 | 3.07000 |
4 | 0.75000 | 0.62500 | 0.25000 | -mx,my,-mz | 0.00000 | -1.08000 | -3.07000 |
5 | 0.25000 | 0.12500 | 0.25000 | mx,my,-mz | 0.00000 | -1.08000 | -3.07000 |
6 | 0.25000 | 0.62500 | 0.25000 | -mx,my,mz | 0.00000 | -1.08000 | 3.07000 |
7 | 0.75000 | 0.37500 | 0.75000 | mx,my,-mz | 0.00000 | -1.08000 | -3.07000 |
8 | 0.75000 | 0.87500 | 0.75000 | -mx,my,mz | 0.00000 | -1.08000 | 3.07000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.25000 | 0.00000 | mx,my,mz | 0.00000 | -1.38000 | 3.37000 |
2 | 0.00000 | 0.75000 | 0.50000 | -mx,my,-mz | 0.00000 | -1.38000 | -3.37000 |
3 | 0.00000 | 0.25000 | 0.50000 | mx,my,-mz | 0.00000 | -1.38000 | -3.37000 |
4 | 0.50000 | 0.75000 | 0.00000 | -mx,my,mz | 0.00000 | -1.38000 | 3.37000 |
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 | 0.23540 | 0.25840 |
2 | 0.50000 | 0.73540 | 0.24160 |
3 | 0.00000 | 0.26460 | 0.74160 |
4 | 0.50000 | 0.76460 | 0.75840 |
5 | 0.50000 | 0.26460 | 0.75840 |
6 | 0.00000 | 0.76460 | 0.74160 |
7 | 0.50000 | 0.23540 | 0.24160 |
8 | 0.00000 | 0.73540 | 0.25840 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.77920 | 0.37500 | 0.50840 |
2 | 0.72080 | 0.87500 | 0.99160 |
3 | 0.22080 | 0.12500 | 0.49160 |
4 | 0.27920 | 0.62500 | 0.00840 |
5 | 0.72080 | 0.12500 | 0.00840 |
6 | 0.77920 | 0.62500 | 0.49160 |
7 | 0.27920 | 0.37500 | 0.99160 |
8 | 0.22080 | 0.87500 | 0.50840 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.72080 | 0.37500 | 0.99160 |
2 | 0.77920 | 0.87500 | 0.50840 |
3 | 0.27920 | 0.12500 | 0.00840 |
4 | 0.22080 | 0.62500 | 0.49160 |
5 | 0.77920 | 0.12500 | 0.49160 |
6 | 0.72080 | 0.62500 | 0.00840 |
7 | 0.22080 | 0.37500 | 0.50840 |
8 | 0.27920 | 0.87500 | 0.99160 |
Set of atoms in the unit cell related by symmetry with the atom O1_4:
Atom | x | y | z |
1 | 0.50000 | 0.48540 | 0.75840 |
2 | 0.00000 | 0.98540 | 0.74160 |
3 | 0.50000 | 0.01460 | 0.24160 |
4 | 0.00000 | 0.51460 | 0.25840 |
5 | 0.00000 | 0.01460 | 0.25840 |
6 | 0.50000 | 0.51460 | 0.24160 |
7 | 0.00000 | 0.48540 | 0.74160 |
8 | 0.50000 | 0.98540 | 0.75840 |
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