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 Co:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.16897 | 0.41897 | 0.12500 | mx,my,mz | 0.00000 | 0.00000 | 2.26700 |
2 | 0.33103 | 0.58103 | 0.62500 | -mx,-my,mz | 0.00000 | 0.00000 | 2.26700 |
3 | 0.33103 | 0.41897 | 0.87500 | -mx,my,-mz | 0.00000 | 0.00000 | -2.26700 |
4 | 0.16897 | 0.58103 | 0.37500 | mx,-my,-mz | 0.00000 | 0.00000 | -2.26700 |
5 | 0.83103 | 0.58103 | 0.87500 | mx,my,mz | 0.00000 | 0.00000 | 2.26700 |
6 | 0.66897 | 0.41897 | 0.37500 | -mx,-my,mz | 0.00000 | 0.00000 | 2.26700 |
7 | 0.66897 | 0.58103 | 0.12500 | -mx,my,-mz | 0.00000 | 0.00000 | -2.26700 |
8 | 0.83103 | 0.41897 | 0.62500 | mx,-my,-mz | 0.00000 | 0.00000 | -2.26700 |
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9 | 0.66897 | 0.91897 | 0.62500 | -mx,-my,-mz | 0.00000 | 0.00000 | -2.26700 |
10 | 0.83103 | 0.08103 | 0.12500 | mx,my,-mz | 0.00000 | 0.00000 | -2.26700 |
11 | 0.83103 | 0.91897 | 0.37500 | mx,-my,mz | 0.00000 | 0.00000 | 2.26700 |
12 | 0.66897 | 0.08103 | 0.87500 | -mx,my,mz | 0.00000 | 0.00000 | 2.26700 |
13 | 0.33103 | 0.08103 | 0.37500 | -mx,-my,-mz | 0.00000 | 0.00000 | -2.26700 |
14 | 0.16897 | 0.91897 | 0.87500 | mx,my,-mz | 0.00000 | 0.00000 | -2.26700 |
15 | 0.16897 | 0.08103 | 0.62500 | mx,-my,mz | 0.00000 | 0.00000 | 2.26700 |
16 | 0.33103 | 0.91897 | 0.12500 | -mx,my,mz | 0.00000 | 0.00000 | 2.26700 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.37500 |
2 | 0.50000 | 0.25000 | 0.62500 |
3 | 0.00000 | 0.75000 | 0.62500 |
4 | 0.50000 | 0.75000 | 0.37500 |
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5 | 0.50000 | 0.75000 | 0.87500 |
6 | 0.00000 | 0.75000 | 0.12500 |
7 | 0.50000 | 0.25000 | 0.12500 |
8 | 0.00000 | 0.25000 | 0.87500 |
Set of atoms in the unit cell related by symmetry with the atom V1:
Atom | x | y | z |
1 | 0.08000 | 0.00000 | 0.25000 |
2 | 0.42000 | 0.00000 | 0.75000 |
3 | 0.92000 | 0.00000 | 0.75000 |
4 | 0.58000 | 0.00000 | 0.25000 |
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5 | 0.58000 | 0.50000 | 0.75000 |
6 | 0.92000 | 0.50000 | 0.25000 |
7 | 0.42000 | 0.50000 | 0.25000 |
8 | 0.08000 | 0.50000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom V2:
Atom | x | y | z |
1 | 0.25000 | 0.83000 | 0.50000 |
2 | 0.25000 | 0.17000 | 0.00000 |
3 | 0.75000 | 0.17000 | 0.50000 |
4 | 0.75000 | 0.83000 | 0.00000 |
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5 | 0.75000 | 0.33000 | 0.00000 |
6 | 0.75000 | 0.67000 | 0.50000 |
7 | 0.25000 | 0.67000 | 0.00000 |
8 | 0.25000 | 0.33000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O11:
Atom | x | y | z |
1 | 0.15868 | 0.07501 | 0.38171 |
2 | 0.34132 | 0.92499 | 0.88171 |
3 | 0.34132 | 0.07501 | 0.61829 |
4 | 0.15868 | 0.92499 | 0.11829 |
5 | 0.84132 | 0.92499 | 0.61829 |
6 | 0.65868 | 0.07501 | 0.11829 |
7 | 0.65868 | 0.92499 | 0.38171 |
8 | 0.84132 | 0.07501 | 0.88171 |
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9 | 0.65868 | 0.57501 | 0.88171 |
10 | 0.84132 | 0.42499 | 0.38171 |
11 | 0.84132 | 0.57501 | 0.11829 |
12 | 0.65868 | 0.42499 | 0.61829 |
13 | 0.34132 | 0.42499 | 0.11829 |
14 | 0.15868 | 0.57501 | 0.61829 |
15 | 0.15868 | 0.42499 | 0.88171 |
16 | 0.34132 | 0.57501 | 0.38171 |
Set of atoms in the unit cell related by symmetry with the atom O12:
Atom | x | y | z |
1 | 0.17499 | 0.90868 | 0.63171 |
2 | 0.32501 | 0.09132 | 0.13171 |
3 | 0.32501 | 0.90868 | 0.36829 |
4 | 0.17499 | 0.09132 | 0.86829 |
5 | 0.82501 | 0.09132 | 0.36829 |
6 | 0.67499 | 0.90868 | 0.86829 |
7 | 0.67499 | 0.09132 | 0.63171 |
8 | 0.82501 | 0.90868 | 0.13171 |
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9 | 0.67499 | 0.40868 | 0.13171 |
10 | 0.82501 | 0.59132 | 0.63171 |
11 | 0.82501 | 0.40868 | 0.86829 |
12 | 0.67499 | 0.59132 | 0.36829 |
13 | 0.32501 | 0.59132 | 0.86829 |
14 | 0.17499 | 0.40868 | 0.36829 |
15 | 0.17499 | 0.59132 | 0.13171 |
16 | 0.32501 | 0.40868 | 0.63171 |
Set of atoms in the unit cell related by symmetry with the atom O21:
Atom | x | y | z |
1 | 0.49845 | 0.08729 | 0.34872 |
2 | 0.00155 | 0.91271 | 0.84872 |
3 | 0.00155 | 0.08729 | 0.65128 |
4 | 0.49845 | 0.91271 | 0.15128 |
5 | 0.50155 | 0.91271 | 0.65128 |
6 | 0.99845 | 0.08729 | 0.15128 |
7 | 0.99845 | 0.91271 | 0.34872 |
8 | 0.50155 | 0.08729 | 0.84872 |
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9 | 0.99845 | 0.58729 | 0.84872 |
10 | 0.50155 | 0.41271 | 0.34872 |
11 | 0.50155 | 0.58729 | 0.15128 |
12 | 0.99845 | 0.41271 | 0.65128 |
13 | 0.00155 | 0.41271 | 0.15128 |
14 | 0.49845 | 0.58729 | 0.65128 |
15 | 0.49845 | 0.41271 | 0.84872 |
16 | 0.00155 | 0.58729 | 0.34872 |
Set of atoms in the unit cell related by symmetry with the atom O22:
Atom | x | y | z |
1 | 0.16271 | 0.24845 | 0.59872 |
2 | 0.33729 | 0.75155 | 0.09872 |
3 | 0.33729 | 0.24845 | 0.40128 |
4 | 0.16271 | 0.75155 | 0.90128 |
5 | 0.83729 | 0.75155 | 0.40128 |
6 | 0.66271 | 0.24845 | 0.90128 |
7 | 0.66271 | 0.75155 | 0.59872 |
8 | 0.83729 | 0.24845 | 0.09872 |
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9 | 0.66271 | 0.74845 | 0.09872 |
10 | 0.83729 | 0.25155 | 0.59872 |
11 | 0.83729 | 0.74845 | 0.90128 |
12 | 0.66271 | 0.25155 | 0.40128 |
13 | 0.33729 | 0.25155 | 0.90128 |
14 | 0.16271 | 0.74845 | 0.40128 |
15 | 0.16271 | 0.25155 | 0.09872 |
16 | 0.33729 | 0.74845 | 0.59872 |
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