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,0 | 1.60000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.50000 | mx,-my,0 | 1.60000 | 0.00000 | 0.00000 |
3 | 0.00000 | 0.00000 | 0.50000 | mx,my,0 | 1.60000 | 0.00000 | 0.00000 |
4 | 0.50000 | 0.50000 | 0.00000 | mx,-my,0 | 1.60000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.50000 | 0.25000 | mx,my,0 | 0.00000 | 3.00000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.25000 | mx,-my,0 | 0.00000 | -3.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.50000 | 0.75000 | mx,my,0 | 0.00000 | -3.00000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.75000 | mx,-my,0 | 0.00000 | 3.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00010 | 0.27530 | 0.00000 | mx,my,mz | -1.60000 | 0.00000 | 0.00000 |
2 | 0.50010 | 0.22470 | 0.50000 | mx,-my,-mz | -1.60000 | 0.00000 | 0.00000 |
3 | 0.00000 | 0.72470 | 0.50000 | mx,my,mz | -1.60000 | 0.00000 | 0.00000 |
4 | 0.49990 | 0.77530 | 0.00000 | mx,-my,-mz | -1.60000 | 0.00000 | 0.00000 |
5 | 0.49990 | 0.77530 | 0.50000 | mx,-my,mz | -1.60000 | 0.00000 | 0.00000 |
6 | 0.00000 | 0.72470 | 0.00000 | mx,my,-mz | -1.60000 | 0.00000 | 0.00000 |
7 | 0.50010 | 0.22470 | 0.00000 | mx,-my,mz | -1.60000 | 0.00000 | 0.00000 |
8 | 0.00010 | 0.27530 | 0.50000 | mx,my,-mz | -1.60000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.74110 | 0.38630 | 0.25000 | mx,my,0 | 0.00000 | 2.20000 | 0.00000 |
2 | 0.24110 | 0.11370 | 0.25000 | mx,-my,0 | 0.00000 | -2.20000 | 0.00000 |
3 | 0.25890 | 0.61370 | 0.25000 | mx,my,0 | 0.00000 | 2.20000 | 0.00000 |
4 | 0.75890 | 0.88630 | 0.25000 | mx,-my,0 | 0.00000 | -2.20000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.74110 | 0.38630 | 0.75000 | mx,my,0 | 0.00000 | -2.20000 | 0.00000 |
2 | 0.24110 | 0.11370 | 0.75000 | mx,-my,0 | 0.00000 | 2.20000 | 0.00000 |
3 | 0.25890 | 0.61370 | 0.75000 | mx,my,0 | 0.00000 | -2.20000 | 0.00000 |
4 | 0.75890 | 0.88630 | 0.75000 | mx,-my,0 | 0.00000 | 2.20000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Mn1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.50000 |
3 | 0.00000 | 0.00000 | 0.50000 |
4 | 0.50000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Mn2_1:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.25000 |
2 | 0.50000 | 0.00000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Mn2_2:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.75000 |
2 | 0.50000 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Mn3:
Atom | x | y | z |
1 | 0.00010 | 0.27530 | 0.00000 |
2 | 0.50010 | 0.22470 | 0.50000 |
3 | 0.00000 | 0.72470 | 0.50000 |
4 | 0.49990 | 0.77530 | 0.00000 |
5 | 0.49990 | 0.77530 | 0.50000 |
6 | 0.00000 | 0.72470 | 0.00000 |
7 | 0.50010 | 0.22470 | 0.00000 |
8 | 0.00010 | 0.27530 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Mn4_1:
Atom | x | y | z |
1 | 0.74110 | 0.38630 | 0.25000 |
2 | 0.24110 | 0.11370 | 0.25000 |
3 | 0.25890 | 0.61370 | 0.25000 |
4 | 0.75890 | 0.88630 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Mn4_2:
Atom | x | y | z |
1 | 0.74110 | 0.38630 | 0.75000 |
2 | 0.24110 | 0.11370 | 0.75000 |
3 | 0.25890 | 0.61370 | 0.75000 |
4 | 0.75890 | 0.88630 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom B1_1:
Atom | x | y | z |
1 | 0.27100 | 0.36100 | 0.25000 |
2 | 0.77100 | 0.13900 | 0.25000 |
3 | 0.72900 | 0.63900 | 0.25000 |
4 | 0.22900 | 0.86100 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom B1_2:
Atom | x | y | z |
1 | 0.27100 | 0.36100 | 0.75000 |
2 | 0.77100 | 0.13900 | 0.75000 |
3 | 0.72900 | 0.63900 | 0.75000 |
4 | 0.22900 | 0.86100 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.84300 | 0.04320 | 0.25000 |
2 | 0.34300 | 0.45680 | 0.25000 |
3 | 0.15700 | 0.95680 | 0.25000 |
4 | 0.65700 | 0.54320 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.84300 | 0.04320 | 0.75000 |
2 | 0.34300 | 0.45680 | 0.75000 |
3 | 0.15700 | 0.95680 | 0.75000 |
4 | 0.65700 | 0.54320 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.38520 | 0.07670 | 0.00000 |
2 | 0.88520 | 0.42330 | 0.50000 |
3 | 0.61480 | 0.92330 | 0.50000 |
4 | 0.11480 | 0.57670 | 0.00000 |
5 | 0.11480 | 0.57670 | 0.50000 |
6 | 0.61480 | 0.92330 | 0.00000 |
7 | 0.88520 | 0.42330 | 0.00000 |
8 | 0.38520 | 0.07670 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.62560 | 0.13860 | 0.25000 |
2 | 0.12560 | 0.36140 | 0.25000 |
3 | 0.37440 | 0.86140 | 0.25000 |
4 | 0.87440 | 0.63860 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.62560 | 0.13860 | 0.75000 |
2 | 0.12560 | 0.36140 | 0.75000 |
3 | 0.37440 | 0.86140 | 0.75000 |
4 | 0.87440 | 0.63860 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.11350 | 0.14100 | 0.00000 |
2 | 0.61350 | 0.35900 | 0.50000 |
3 | 0.88650 | 0.85900 | 0.50000 |
4 | 0.38650 | 0.64100 | 0.00000 |
5 | 0.38650 | 0.64100 | 0.50000 |
6 | 0.88650 | 0.85900 | 0.00000 |
7 | 0.61350 | 0.35900 | 0.00000 |
8 | 0.11350 | 0.14100 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O5_1:
Atom | x | y | z |
1 | 0.83800 | 0.23610 | 0.25000 |
2 | 0.33800 | 0.26390 | 0.25000 |
3 | 0.16200 | 0.76390 | 0.25000 |
4 | 0.66200 | 0.73610 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O5_2:
Atom | x | y | z |
1 | 0.83800 | 0.23610 | 0.75000 |
2 | 0.33800 | 0.26390 | 0.75000 |
3 | 0.16200 | 0.76390 | 0.75000 |
4 | 0.66200 | 0.73610 | 0.75000 |
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