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_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.34500 | 0.00000 | 0.00000 | mx,2mx,0 | 1.87500 | 3.75000 | 0.00000 |
2 | 0.00000 | 0.34500 | 0.00000 | -2mx,-mx,0 | -3.75000 | -1.87500 | 0.00000 |
3 | 0.65500 | 0.65500 | 0.00000 | mx,-mx,0 | 1.87500 | -1.87500 | 0.00000 |
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4 | 0.34500 | 0.00000 | 0.50000 | -mx,-2mx,0 | -1.87500 | -3.75000 | 0.00000 |
5 | 0.00000 | 0.34500 | 0.50000 | 2mx,mx,0 | 3.75000 | 1.87500 | 0.00000 |
6 | 0.65500 | 0.65500 | 0.50000 | -mx,mx,0 | -1.87500 | 1.87500 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.65500 | 0.00000 | 0.25000 | mx,2mx,0 | 1.87500 | 3.75000 | 0.00000 |
2 | 0.00000 | 0.65500 | 0.25000 | -2mx,-mx,0 | -3.75000 | -1.87500 | 0.00000 |
3 | 0.34500 | 0.34500 | 0.25000 | mx,-mx,0 | 1.87500 | -1.87500 | 0.00000 |
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4 | 0.65500 | 0.00000 | 0.75000 | -mx,-2mx,0 | -1.87500 | -3.75000 | 0.00000 |
5 | 0.00000 | 0.65500 | 0.75000 | 2mx,mx,0 | 3.75000 | 1.87500 | 0.00000 |
6 | 0.34500 | 0.34500 | 0.75000 | -mx,mx,0 | -1.87500 | 1.87500 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom In1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.13700 |
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2 | 0.00000 | 0.00000 | 0.63700 |
Set of atoms in the unit cell related by symmetry with the atom In1_2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.38700 |
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2 | 0.00000 | 0.00000 | 0.88700 |
Set of atoms in the unit cell related by symmetry with the atom In2_1:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.11600 |
2 | 0.66667 | 0.33334 | 0.11600 |
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3 | 0.33333 | 0.66667 | 0.61600 |
4 | 0.66667 | 0.33334 | 0.61600 |
Set of atoms in the unit cell related by symmetry with the atom In2_2:
Atom | x | y | z |
1 | 0.66667 | 0.33333 | 0.36600 |
2 | 0.33333 | 0.66666 | 0.36600 |
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3 | 0.66667 | 0.33333 | 0.86600 |
4 | 0.33333 | 0.66666 | 0.86600 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.30700 | 0.00000 | 0.08250 |
2 | 0.00000 | 0.30700 | 0.08250 |
3 | 0.69300 | 0.69300 | 0.08250 |
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4 | 0.30700 | 0.00000 | 0.58250 |
5 | 0.00000 | 0.30700 | 0.58250 |
6 | 0.69300 | 0.69300 | 0.58250 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.69300 | 0.00000 | 0.33250 |
2 | 0.00000 | 0.69300 | 0.33250 |
3 | 0.30700 | 0.30700 | 0.33250 |
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4 | 0.69300 | 0.00000 | 0.83250 |
5 | 0.00000 | 0.69300 | 0.83250 |
6 | 0.30700 | 0.30700 | 0.83250 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.64000 | 0.00000 | 0.16800 |
2 | 0.00000 | 0.64000 | 0.16800 |
3 | 0.36000 | 0.36000 | 0.16800 |
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4 | 0.64000 | 0.00000 | 0.66800 |
5 | 0.00000 | 0.64000 | 0.66800 |
6 | 0.36000 | 0.36000 | 0.66800 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.36000 | 0.00000 | 0.41800 |
2 | 0.00000 | 0.36000 | 0.41800 |
3 | 0.64000 | 0.64000 | 0.41800 |
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4 | 0.36000 | 0.00000 | 0.91800 |
5 | 0.00000 | 0.36000 | 0.91800 |
6 | 0.64000 | 0.64000 | 0.91800 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.23750 |
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2 | 0.00000 | 0.00000 | 0.73750 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.48750 |
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2 | 0.00000 | 0.00000 | 0.98750 |
Set of atoms in the unit cell related by symmetry with the atom O4_1:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.01000 |
2 | 0.66667 | 0.33334 | 0.01000 |
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3 | 0.33333 | 0.66667 | 0.51000 |
4 | 0.66667 | 0.33334 | 0.51000 |
Set of atoms in the unit cell related by symmetry with the atom O4_2:
Atom | x | y | z |
1 | 0.66667 | 0.33333 | 0.26000 |
2 | 0.33333 | 0.66666 | 0.26000 |
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3 | 0.66667 | 0.33333 | 0.76000 |
4 | 0.33333 | 0.66666 | 0.76000 |
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