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 Fe1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 2.97000 | 1.25000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.50000 | -mx,my,-mz | -2.97000 | 1.25000 | 0.00000 |
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3 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,-mz | -2.97000 | -1.25000 | 0.00000 |
4 | 0.50000 | 0.50000 | 0.50000 | mx,-my,mz | 2.97000 | -1.25000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Li2:
Atom | x | y | z |
1 | 0.01000 | 0.64500 | 0.10200 |
2 | 0.99000 | 0.14500 | 0.39800 |
3 | 0.99000 | 0.35500 | 0.89800 |
4 | 0.01000 | 0.85500 | 0.60200 |
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5 | 0.51000 | 0.64500 | 0.10200 |
6 | 0.49000 | 0.14500 | 0.39800 |
7 | 0.49000 | 0.35500 | 0.89800 |
8 | 0.51000 | 0.85500 | 0.60200 |
Set of atoms in the unit cell related by symmetry with the atom S3:
Atom | x | y | z |
1 | 0.16700 | 0.29300 | 0.31500 |
2 | 0.83300 | 0.79300 | 0.18500 |
3 | 0.83300 | 0.70700 | 0.68500 |
4 | 0.16700 | 0.20700 | 0.81500 |
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5 | 0.66700 | 0.29300 | 0.31500 |
6 | 0.33300 | 0.79300 | 0.18500 |
7 | 0.33300 | 0.70700 | 0.68500 |
8 | 0.66700 | 0.20700 | 0.81500 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.09250 | 0.41390 | 0.15360 |
2 | 0.90750 | 0.91390 | 0.34640 |
3 | 0.90750 | 0.58610 | 0.84640 |
4 | 0.09250 | 0.08610 | 0.65360 |
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5 | 0.59250 | 0.41390 | 0.15360 |
6 | 0.40750 | 0.91390 | 0.34640 |
7 | 0.40750 | 0.58610 | 0.84640 |
8 | 0.59250 | 0.08610 | 0.65360 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.09700 | 0.13790 | 0.24160 |
2 | 0.90300 | 0.63790 | 0.25840 |
3 | 0.90300 | 0.86210 | 0.75840 |
4 | 0.09700 | 0.36210 | 0.74160 |
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5 | 0.59700 | 0.13790 | 0.24160 |
6 | 0.40300 | 0.63790 | 0.25840 |
7 | 0.40300 | 0.86210 | 0.75840 |
8 | 0.59700 | 0.36210 | 0.74160 |
Set of atoms in the unit cell related by symmetry with the atom O6:
Atom | x | y | z |
1 | 0.14205 | 0.35690 | 0.44820 |
2 | 0.85795 | 0.85690 | 0.05180 |
3 | 0.85795 | 0.64310 | 0.55180 |
4 | 0.14205 | 0.14310 | 0.94820 |
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5 | 0.64205 | 0.35690 | 0.44820 |
6 | 0.35795 | 0.85690 | 0.05180 |
7 | 0.35795 | 0.64310 | 0.55180 |
8 | 0.64205 | 0.14310 | 0.94820 |
Set of atoms in the unit cell related by symmetry with the atom O7:
Atom | x | y | z |
1 | 0.34420 | 0.30160 | 0.37820 |
2 | 0.65580 | 0.80160 | 0.12180 |
3 | 0.65580 | 0.69840 | 0.62180 |
4 | 0.34420 | 0.19840 | 0.87820 |
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5 | 0.84420 | 0.30160 | 0.37820 |
6 | 0.15580 | 0.80160 | 0.12180 |
7 | 0.15580 | 0.69840 | 0.62180 |
8 | 0.84420 | 0.19840 | 0.87820 |
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