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 | 0.25000 | 0.25000 | 0.35900 | mx,0,0 | 2.51000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.25000 | 0.75000 | 0.85900 | mx,0,0 | 2.51000 | 0.00000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.75000 | 0.25000 | 0.85900 | mx,0,0 | 2.51000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.75000 | 0.75000 | 0.35900 | mx,0,0 | 2.51000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.25000 | 0.85900 | -mx,0,0 | -2.51000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.25000 | 0.75000 | 0.35900 | -mx,0,0 | -2.51000 | 0.00000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.35900 | -mx,0,0 | -2.51000 | 0.00000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.75000 | 0.75000 | 0.85900 | -mx,0,0 | -2.51000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.25000 | 0.13100 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.25000 | 0.75000 | 0.63100 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.75000 | 0.25000 | 0.63100 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.75000 | 0.75000 | 0.13100 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.25000 | 0.63100 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.25000 | 0.75000 | 0.13100 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.13100 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.75000 | 0.75000 | 0.63100 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Y1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.24950 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.74950 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.74950 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.24950 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.74950 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.50000 | 0.24950 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.24950 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.50000 | 0.50000 | 0.74950 |
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00300 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.50300 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.50300 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.00300 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.50300 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.50000 | 0.00300 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.00300 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.50000 | 0.50000 | 0.50300 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.47750 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.25000 | 0.75000 | 0.97750 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.75000 | 0.25000 | 0.97750 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.75000 | 0.75000 | 0.47750 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.25000 | 0.97750 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.25000 | 0.75000 | 0.47750 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.47750 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.75000 | 0.75000 | 0.97750 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.13300 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.25000 | 0.50000 | 0.63300 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.75000 | 0.00000 | 0.63300 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.75000 | 0.50000 | 0.13300 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.00000 | 0.63300 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.25000 | 0.50000 | 0.13300 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.00000 | 0.13300 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.75000 | 0.50000 | 0.63300 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.13300 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.75000 | 0.63300 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.25000 | 0.63300 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.75000 | 0.13300 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.25000 | 0.63300 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.75000 | 0.13300 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.25000 | 0.13300 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.50000 | 0.75000 | 0.63300 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.31850 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.25000 | 0.50000 | 0.81850 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.75000 | 0.00000 | 0.81850 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.75000 | 0.50000 | 0.31850 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.00000 | 0.81850 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.25000 | 0.50000 | 0.31850 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.00000 | 0.31850 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.75000 | 0.50000 | 0.81850 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.31850 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.75000 | 0.81850 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.25000 | 0.81850 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.75000 | 0.31850 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.25000 | 0.81850 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.75000 | 0.31850 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.25000 | 0.31850 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.50000 | 0.75000 | 0.81850 |
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