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 | 0,0,mz | 0.00000 | 0.00000 | 4.10000 |
2 | 0.00000 | 0.00000 | 0.50000 | 0,0,mz | 0.00000 | 0.00000 | 4.10000 |
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 | 0.00000 | 0.00000 | 0.25000 | 0,0,mz | 0.00000 | 0.00000 | 4.80000 |
2 | 0.00000 | 0.00000 | 0.75000 | 0,0,mz | 0.00000 | 0.00000 | 4.80000 |
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 | 0.33333 | 0.66667 | 0.02800 | 0,0,mz | 0.00000 | 0.00000 | -4.50000 |
2 | 0.66666 | 0.33333 | 0.52800 | 0,0,mz | 0.00000 | 0.00000 | -4.50000 |
3 | 0.66667 | 0.33333 | 0.97200 | 0,0,mz | 0.00000 | 0.00000 | -4.50000 |
4 | 0.33334 | 0.66667 | 0.47200 | 0,0,mz | 0.00000 | 0.00000 | -4.50000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33333 | 0.66667 | 0.18970 | 0,0,mz | 0.00000 | 0.00000 | -4.20000 |
2 | 0.66666 | 0.33333 | 0.68970 | 0,0,mz | 0.00000 | 0.00000 | -4.20000 |
3 | 0.66667 | 0.33333 | 0.81030 | 0,0,mz | 0.00000 | 0.00000 | -4.20000 |
4 | 0.33334 | 0.66667 | 0.31030 | 0,0,mz | 0.00000 | 0.00000 | -4.20000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.16660 | 0.33320 | 0.89170 | mx,2mx,mz | 0.00000 | 0.00000 | 4.90000 |
2 | 0.83340 | 0.16660 | 0.39170 | -mx,mx,mz | 0.00000 | 0.00000 | 4.90000 |
3 | 0.66680 | 0.83340 | 0.89170 | -2mx,-mx,mz | 0.00000 | 0.00000 | 4.90000 |
4 | 0.83340 | 0.66680 | 0.39170 | -mx,-2mx,mz | 0.00000 | 0.00000 | 4.90000 |
5 | 0.16660 | 0.83340 | 0.89170 | mx,-mx,mz | 0.00000 | 0.00000 | 4.90000 |
6 | 0.33320 | 0.16660 | 0.39170 | 2mx,mx,mz | 0.00000 | 0.00000 | 4.90000 |
7 | 0.83340 | 0.66680 | 0.10830 | mx,2mx,mz | 0.00000 | 0.00000 | 4.90000 |
8 | 0.16660 | 0.83340 | 0.60830 | -mx,mx,mz | 0.00000 | 0.00000 | 4.90000 |
9 | 0.33320 | 0.16660 | 0.10830 | -2mx,-mx,mz | 0.00000 | 0.00000 | 4.90000 |
10 | 0.16660 | 0.33320 | 0.60830 | -mx,-2mx,mz | 0.00000 | 0.00000 | 4.90000 |
11 | 0.83340 | 0.16660 | 0.10830 | mx,-mx,mz | 0.00000 | 0.00000 | 4.90000 |
12 | 0.66680 | 0.83340 | 0.60830 | 2mx,mx,mz | 0.00000 | 0.00000 | 4.90000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.75000 |
2 | 0.66666 | 0.33333 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.15190 |
2 | 0.00000 | 0.00000 | 0.65190 |
3 | 0.00000 | 0.00000 | 0.84810 |
4 | 0.00000 | 0.00000 | 0.34810 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.94450 |
2 | 0.66666 | 0.33333 | 0.44450 |
3 | 0.66667 | 0.33333 | 0.05550 |
4 | 0.33334 | 0.66667 | 0.55550 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.18800 | 0.37600 | 0.25000 |
2 | 0.81200 | 0.18800 | 0.75000 |
3 | 0.62400 | 0.81200 | 0.25000 |
4 | 0.81200 | 0.62400 | 0.75000 |
5 | 0.18800 | 0.81200 | 0.25000 |
6 | 0.37600 | 0.18800 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.15900 | 0.31800 | 0.05230 |
2 | 0.84100 | 0.15900 | 0.55230 |
3 | 0.68200 | 0.84100 | 0.05230 |
4 | 0.84100 | 0.68200 | 0.55230 |
5 | 0.15900 | 0.84100 | 0.05230 |
6 | 0.31800 | 0.15900 | 0.55230 |
7 | 0.84100 | 0.68200 | 0.94770 |
8 | 0.15900 | 0.84100 | 0.44770 |
9 | 0.31800 | 0.15900 | 0.94770 |
10 | 0.15900 | 0.31800 | 0.44770 |
11 | 0.84100 | 0.15900 | 0.94770 |
12 | 0.68200 | 0.84100 | 0.44770 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.50000 | 0.00000 | 0.14930 |
2 | 0.50000 | 0.50000 | 0.64930 |
3 | 0.00000 | 0.50000 | 0.14930 |
4 | 0.50000 | 0.00000 | 0.64930 |
5 | 0.50000 | 0.50000 | 0.14930 |
6 | 0.00000 | 0.50000 | 0.64930 |
7 | 0.50000 | 0.00000 | 0.85070 |
8 | 0.50000 | 0.50000 | 0.35070 |
9 | 0.00000 | 0.50000 | 0.85070 |
10 | 0.50000 | 0.00000 | 0.35070 |
11 | 0.50000 | 0.50000 | 0.85070 |
12 | 0.00000 | 0.50000 | 0.35070 |
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