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 | 0.33350 | 0.00000 | 0.00000 | mx,my,mz | 3.43000 | 0.69000 | 0.00000 |
2 | 0.00000 | 0.33350 | 0.00000 | -my,mx-my,mz | -0.69000 | 2.74000 | 0.00000 |
3 | 0.66650 | 0.66650 | 0.00000 | -mx+my,-mx,mz | -2.74000 | -3.43000 | 0.00000 |
4 | 0.33350 | 0.33350 | 0.50000 | -mx+my,-mx,-mz | -2.74000 | -3.43000 | 0.00000 |
5 | 0.66650 | 0.00000 | 0.50000 | mx,my,-mz | 3.43000 | 0.69000 | 0.00000 |
6 | 0.00000 | 0.66650 | 0.50000 | -my,mx-my,-mz | -0.69000 | 2.74000 | 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 | 0.27350 |
2 | 0.00000 | 0.00000 | 0.77350 |
Set of atoms in the unit cell related by symmetry with the atom Y2_1:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.23120 |
2 | 0.66666 | 0.33333 | 0.73120 |
Set of atoms in the unit cell related by symmetry with the atom Y2_2:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.73120 |
2 | 0.66666 | 0.33333 | 0.23120 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.30700 | 0.00000 | 0.16210 |
2 | 0.00000 | 0.30700 | 0.16210 |
3 | 0.69300 | 0.69300 | 0.16210 |
4 | 0.30700 | 0.30700 | 0.66210 |
5 | 0.69300 | 0.00000 | 0.66210 |
6 | 0.00000 | 0.69300 | 0.66210 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.64090 | 0.00000 | 0.33560 |
2 | 0.00000 | 0.64090 | 0.33560 |
3 | 0.35910 | 0.35910 | 0.33560 |
4 | 0.64090 | 0.64090 | 0.83560 |
5 | 0.35910 | 0.00000 | 0.83560 |
6 | 0.00000 | 0.35910 | 0.83560 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.97620 |
2 | 0.00000 | 0.00000 | 0.47620 |
Set of atoms in the unit cell related by symmetry with the atom O4_1:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.01810 |
2 | 0.66666 | 0.33333 | 0.51810 |
Set of atoms in the unit cell related by symmetry with the atom O4_2:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.51810 |
2 | 0.66666 | 0.33333 | 0.01810 |
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