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 Ni1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.50000 | mx,my,mz | 0.00000 | 2.30000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.00000 | -mx,my,-mz | 0.00000 | 2.30000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Ir1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 1.30000 | 0.00000 | 1.60000 |
2 | 0.50000 | 0.50000 | 0.50000 | -mx,my,-mz | -1.30000 | 0.00000 | -1.60000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Pr1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.98730 | 0.44250 | 0.25010 | mx,my,mz | 0.93000 | 0.00000 | 0.00000 |
2 | 0.51270 | 0.94250 | 0.24990 | -mx,my,-mz | -0.93000 | 0.00000 | 0.00000 |
3 | 0.01270 | 0.55750 | 0.74990 | mx,my,mz | 0.93000 | 0.00000 | 0.00000 |
4 | 0.48730 | 0.05750 | 0.75010 | -mx,my,-mz | -0.93000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ir2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.50000 |
2 | 0.50000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Ni2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.08860 | 0.02860 | 0.24800 |
2 | 0.41140 | 0.52860 | 0.25200 |
3 | 0.91140 | 0.97140 | 0.75200 |
4 | 0.58860 | 0.47140 | 0.74800 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.19600 | 0.28560 | 0.96080 |
2 | 0.30400 | 0.78560 | 0.53920 |
3 | 0.80400 | 0.71440 | 0.03920 |
4 | 0.69600 | 0.21440 | 0.46080 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.29200 | 0.80340 | 0.94310 |
2 | 0.20800 | 0.30340 | 0.55690 |
3 | 0.70800 | 0.19660 | 0.05690 |
4 | 0.79200 | 0.69660 | 0.44310 |
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