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 | 3.15000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.50000 | -mx,-my,mz | -3.15000 | 0.00000 | 0.00000 |
3 | 0.50000 | 0.50000 | 0.50000 | -mx,my,mz | -3.15000 | 0.00000 | 0.00000 |
4 | 0.00000 | 0.50000 | 0.00000 | mx,-my,mz | 3.15000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 3.15000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.50000 | -mx,-my,mz | -3.15000 | 0.00000 | 0.00000 |
3 | 0.50000 | 0.50000 | 0.50000 | -mx,my,mz | -3.15000 | 0.00000 | 0.00000 |
4 | 0.00000 | 0.50000 | 0.00000 | mx,-my,mz | 3.15000 | 0.00000 | 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 | 0.44960 | 0.25000 | 0.56910 | mx,0,mz | 0.93000 | 0.00000 | 0.00000 |
2 | 0.05040 | 0.75000 | 0.06910 | -mx,0,mz | -0.93000 | 0.00000 | 0.00000 |
3 | 0.55040 | 0.75000 | 0.43090 | mx,0,mz | 0.93000 | 0.00000 | 0.00000 |
4 | 0.94960 | 0.25000 | 0.93090 | -mx,0,mz | -0.93000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ca1:
Atom | x | y | z |
1 | 0.48210 | 0.10830 | 0.02680 |
2 | 0.01790 | 0.89170 | 0.52680 |
3 | 0.51790 | 0.89170 | 0.97320 |
4 | 0.98210 | 0.10830 | 0.47320 |
5 | 0.98210 | 0.39170 | 0.47320 |
6 | 0.51790 | 0.60830 | 0.97320 |
7 | 0.01790 | 0.60830 | 0.52680 |
8 | 0.48210 | 0.39170 | 0.02680 |
Set of atoms in the unit cell related by symmetry with the atom Ga2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.50000 |
3 | 0.50000 | 0.50000 | 0.50000 |
4 | 0.00000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Ga1:
Atom | x | y | z |
1 | 0.44960 | 0.25000 | 0.56910 |
2 | 0.05040 | 0.75000 | 0.06910 |
3 | 0.55040 | 0.75000 | 0.43090 |
4 | 0.94960 | 0.25000 | 0.93090 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.26410 | 0.98460 | 0.24010 |
2 | 0.23590 | 0.01540 | 0.74010 |
3 | 0.73590 | 0.01540 | 0.75990 |
4 | 0.76410 | 0.98460 | 0.25990 |
5 | 0.76410 | 0.51540 | 0.25990 |
6 | 0.73590 | 0.48460 | 0.75990 |
7 | 0.23590 | 0.48460 | 0.74010 |
8 | 0.26410 | 0.51540 | 0.24010 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.02290 | 0.14110 | 0.07170 |
2 | 0.47710 | 0.85890 | 0.57170 |
3 | 0.97710 | 0.85890 | 0.92830 |
4 | 0.52290 | 0.14110 | 0.42830 |
5 | 0.52290 | 0.35890 | 0.42830 |
6 | 0.97710 | 0.64110 | 0.92830 |
7 | 0.47710 | 0.64110 | 0.57170 |
8 | 0.02290 | 0.35890 | 0.07170 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.60390 | 0.25000 | 0.87500 |
2 | 0.89610 | 0.75000 | 0.37500 |
3 | 0.39610 | 0.75000 | 0.12500 |
4 | 0.10390 | 0.25000 | 0.62500 |
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