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 | -3.30000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.00000 | mx,-my,-mz | -3.30000 | 0.00000 | 0.00000 |
3 | 0.50000 | 0.50000 | 0.50000 | mx,-my,mz | -3.30000 | 0.00000 | 0.00000 |
4 | 0.00000 | 0.00000 | 0.50000 | mx,my,-mz | -3.30000 | 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 | 0.01174 | 0.50266 | 0.75000 | mx,my,0 | 0.00000 | 3.90000 | 0.00000 |
2 | 0.48826 | 0.00266 | 0.75000 | mx,-my,0 | 0.00000 | -3.90000 | 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 | 0.51174 | 0.99734 | 0.25000 | mx,my,0 | 0.00000 | 3.90000 | 0.00000 |
2 | 0.98826 | 0.49734 | 0.25000 | mx,-my,0 | 0.00000 | -3.90000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50017 | 0.22596 | 0.00257 | mx,my,mz | 4.00000 | 0.00000 | 0.00000 |
2 | 0.99983 | 0.72596 | 0.00257 | mx,-my,-mz | 4.00000 | 0.00000 | 0.00000 |
3 | 0.99983 | 0.72596 | 0.49743 | mx,-my,mz | 4.00000 | 0.00000 | 0.00000 |
4 | 0.50017 | 0.22596 | 0.49743 | mx,my,-mz | 4.00000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00017 | 0.27404 | 0.99743 | mx,my,mz | 4.00000 | 0.00000 | 0.00000 |
2 | 0.49983 | 0.77404 | 0.99743 | mx,-my,-mz | 4.00000 | 0.00000 | 0.00000 |
3 | 0.49983 | 0.77404 | 0.50257 | mx,-my,mz | 4.00000 | 0.00000 | 0.00000 |
4 | 0.00017 | 0.27404 | 0.50257 | mx,my,-mz | 4.00000 | 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 | 0.24924 | 0.10929 | 0.75000 | mx,my,0 | 0.00000 | -2.74000 | 0.00000 |
2 | 0.25076 | 0.60929 | 0.75000 | mx,-my,0 | 0.00000 | 2.74000 | 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 | 0.74924 | 0.39071 | 0.25000 | mx,my,0 | 0.00000 | -2.74000 | 0.00000 |
2 | 0.75076 | 0.89071 | 0.25000 | mx,-my,0 | 0.00000 | 2.74000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.75988 | 0.88487 | 0.75000 | mx,my,0 | 0.00000 | -2.74000 | 0.00000 |
2 | 0.74012 | 0.38487 | 0.75000 | mx,-my,0 | 0.00000 | 2.74000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25988 | 0.61513 | 0.25000 | mx,my,0 | 0.00000 | -2.74000 | 0.00000 |
2 | 0.24012 | 0.11513 | 0.25000 | mx,-my,0 | 0.00000 | 2.74000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom B1_1:
Atom | x | y | z |
1 | 0.76520 | 0.13710 | 0.75000 |
2 | 0.73480 | 0.63710 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom B1_2:
Atom | x | y | z |
1 | 0.26520 | 0.36290 | 0.25000 |
2 | 0.23480 | 0.86290 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom B2_1:
Atom | x | y | z |
1 | 0.22920 | 0.86000 | 0.75000 |
2 | 0.27080 | 0.36000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom B2_2:
Atom | x | y | z |
1 | 0.72920 | 0.64000 | 0.25000 |
2 | 0.77080 | 0.14000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.34510 | 0.45630 | 0.75000 |
2 | 0.15490 | 0.95630 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.84510 | 0.04370 | 0.25000 |
2 | 0.65490 | 0.54370 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.65850 | 0.54170 | 0.75000 |
2 | 0.84150 | 0.04170 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.15850 | 0.95830 | 0.25000 |
2 | 0.34150 | 0.45830 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.88800 | 0.42180 | 0.99040 |
2 | 0.61200 | 0.92180 | 0.99040 |
3 | 0.61200 | 0.92180 | 0.50960 |
4 | 0.88800 | 0.42180 | 0.50960 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.38800 | 0.07820 | 0.00960 |
2 | 0.11200 | 0.57820 | 0.00960 |
3 | 0.11200 | 0.57820 | 0.49040 |
4 | 0.38800 | 0.07820 | 0.49040 |
Set of atoms in the unit cell related by symmetry with the atom O4_1:
Atom | x | y | z |
1 | 0.12550 | 0.36130 | 0.75000 |
2 | 0.37450 | 0.86130 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O4_2:
Atom | x | y | z |
1 | 0.62550 | 0.13870 | 0.25000 |
2 | 0.87450 | 0.63870 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O5_1:
Atom | x | y | z |
1 | 0.88090 | 0.63720 | 0.75000 |
2 | 0.61910 | 0.13720 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O5_2:
Atom | x | y | z |
1 | 0.38090 | 0.86280 | 0.25000 |
2 | 0.11910 | 0.36280 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O6_1:
Atom | x | y | z |
1 | 0.61330 | 0.35910 | 0.99750 |
2 | 0.88670 | 0.85910 | 0.99750 |
3 | 0.88670 | 0.85910 | 0.50250 |
4 | 0.61330 | 0.35910 | 0.50250 |
Set of atoms in the unit cell related by symmetry with the atom O6_2:
Atom | x | y | z |
1 | 0.11330 | 0.14090 | 0.00250 |
2 | 0.38670 | 0.64090 | 0.00250 |
3 | 0.38670 | 0.64090 | 0.49750 |
4 | 0.11330 | 0.14090 | 0.49750 |
Set of atoms in the unit cell related by symmetry with the atom O7_1:
Atom | x | y | z |
1 | 0.34350 | 0.26240 | 0.75000 |
2 | 0.15650 | 0.76240 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O7_2:
Atom | x | y | z |
1 | 0.84350 | 0.23760 | 0.25000 |
2 | 0.65650 | 0.73760 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O8_1:
Atom | x | y | z |
1 | 0.66200 | 0.73500 | 0.75000 |
2 | 0.83800 | 0.23500 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O8_2:
Atom | x | y | z |
1 | 0.16200 | 0.76500 | 0.25000 |
2 | 0.33800 | 0.26500 | 0.25000 |
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