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 Ru1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.16667 | 0.66667 | 0.16460 | mx,my,mz | 0.00000 | -1.23000 | -0.50000 |
2 | 0.66667 | 0.66667 | 0.33540 | mx,mx-my,-mz | 0.00000 | 1.23000 | 0.50000 |
3 | 0.83333 | 0.33333 | 0.83540 | mx,my,mz | 0.00000 | -1.23000 | -0.50000 |
4 | 0.33333 | 0.33333 | 0.66460 | mx,mx-my,-mz | 0.00000 | 1.23000 | 0.50000 |
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5 | 0.66667 | 0.66667 | 0.16460 | -mx,-my,-mz | 0.00000 | 1.23000 | 0.50000 |
6 | 0.16667 | 0.66667 | 0.33540 | -mx,-mx+my,mz | 0.00000 | -1.23000 | -0.50000 |
7 | 0.33333 | 0.33333 | 0.83540 | -mx,-my,-mz | 0.00000 | 1.23000 | 0.50000 |
8 | 0.83333 | 0.33333 | 0.66460 | -mx,-mx+my,mz | 0.00000 | -1.23000 | -0.50000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.00000 | 0.75000 |
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3 | 0.50000 | 0.00000 | 0.25000 |
4 | 0.50000 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Ba2:
Atom | x | y | z |
1 | 0.16667 | 0.66667 | 0.89100 |
2 | 0.66667 | 0.66667 | 0.60900 |
3 | 0.83333 | 0.33333 | 0.10900 |
4 | 0.33333 | 0.33333 | 0.39100 |
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5 | 0.66667 | 0.66667 | 0.89100 |
6 | 0.16667 | 0.66667 | 0.60900 |
7 | 0.33333 | 0.33333 | 0.10900 |
8 | 0.83333 | 0.33333 | 0.39100 |
Set of atoms in the unit cell related by symmetry with the atom La1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.50000 |
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3 | 0.50000 | 0.00000 | 0.00000 |
4 | 0.00000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.24330 | 0.97320 | 0.25000 |
2 | 0.74330 | 0.51340 | 0.25000 |
3 | 0.75670 | 0.02680 | 0.75000 |
4 | 0.25670 | 0.48660 | 0.75000 |
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5 | 0.74330 | 0.97320 | 0.25000 |
6 | 0.24330 | 0.51340 | 0.25000 |
7 | 0.25670 | 0.02680 | 0.75000 |
8 | 0.75670 | 0.48660 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.51340 | 0.51340 | 0.25000 |
2 | 0.48660 | 0.48660 | 0.75000 |
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3 | 0.01340 | 0.51340 | 0.25000 |
4 | 0.98660 | 0.48660 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.08935 | 0.35740 | 0.40457 |
2 | 0.58935 | 0.82130 | 0.09543 |
3 | 0.91065 | 0.64260 | 0.59543 |
4 | 0.41065 | 0.17870 | 0.90457 |
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5 | 0.58935 | 0.35740 | 0.40457 |
6 | 0.08935 | 0.82130 | 0.09543 |
7 | 0.41065 | 0.64260 | 0.59543 |
8 | 0.91065 | 0.17870 | 0.90457 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.82130 | 0.82130 | 0.40457 |
2 | 0.32130 | 0.82130 | 0.09543 |
3 | 0.17870 | 0.17870 | 0.59543 |
4 | 0.67870 | 0.17870 | 0.90457 |
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5 | 0.32130 | 0.82130 | 0.40457 |
6 | 0.82130 | 0.82130 | 0.09543 |
7 | 0.67870 | 0.17870 | 0.59543 |
8 | 0.17870 | 0.17870 | 0.90457 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.08935 | 0.82130 | 0.40457 |
2 | 0.58935 | 0.35740 | 0.09543 |
3 | 0.91065 | 0.17870 | 0.59543 |
4 | 0.41065 | 0.64260 | 0.90457 |
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5 | 0.58935 | 0.82130 | 0.40457 |
6 | 0.08935 | 0.35740 | 0.09543 |
7 | 0.41065 | 0.17870 | 0.59543 |
8 | 0.91065 | 0.64260 | 0.90457 |
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