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 Mn1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33160 | 0.00000 | 0.00000 | mx,0,mz | -3.03000 | 0.00000 | 0.00000 |
2 | 0.33160 | 0.33160 | 0.50000 | mx,mx,mz | -3.03000 | -3.03000 | 0.00000 |
3 | 0.00000 | 0.33160 | 0.00000 | 0,mx,mz | 0.00000 | -3.03000 | 0.00000 |
4 | 0.66840 | 0.00000 | 0.50000 | -mx,0,mz | 3.03000 | 0.00000 | 0.00000 |
5 | 0.66840 | 0.66840 | 0.00000 | -mx,-mx,mz | 3.03000 | 3.03000 | 0.00000 |
6 | 0.00000 | 0.66840 | 0.50000 | 0,-mx,mz | 0.00000 | 3.03000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Sc1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.27470 |
2 | 0.00000 | 0.00000 | 0.77470 |
Set of atoms in the unit cell related by symmetry with the atom Sc2:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.23080 |
2 | 0.66666 | 0.33333 | 0.73080 |
3 | 0.33334 | 0.66667 | 0.73080 |
4 | 0.66667 | 0.33334 | 0.23080 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.30180 | 0.00000 | 0.16800 |
2 | 0.30180 | 0.30180 | 0.66800 |
3 | 0.00000 | 0.30180 | 0.16800 |
4 | 0.69820 | 0.00000 | 0.66800 |
5 | 0.69820 | 0.69820 | 0.16800 |
6 | 0.00000 | 0.69820 | 0.66800 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.63570 | 0.00000 | 0.33290 |
2 | 0.63570 | 0.63570 | 0.83290 |
3 | 0.00000 | 0.63570 | 0.33290 |
4 | 0.36430 | 0.00000 | 0.83290 |
5 | 0.36430 | 0.36430 | 0.33290 |
6 | 0.00000 | 0.36430 | 0.83290 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.46780 |
2 | 0.00000 | 0.00000 | 0.96780 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.02380 |
2 | 0.66666 | 0.33333 | 0.52380 |
3 | 0.33334 | 0.66667 | 0.52380 |
4 | 0.66667 | 0.33334 | 0.02380 |
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