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 | 2.64000 | 0.00000 | -2.15000 |
2 | 0.50000 | 0.50000 | 0.50000 | -mx,my,-mz | -2.64000 | 0.00000 | 2.15000 |
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3 | 0.50000 | 0.50000 | 0.00000 | -mx,-my,-mz | -2.64000 | 0.00000 | 2.15000 |
4 | 0.00000 | 0.00000 | 0.50000 | mx,-my,mz | 2.64000 | 0.00000 | -2.15000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Cl1:
Atom | x | y | z |
1 | 0.76954 | 0.04660 | 0.16846 |
2 | 0.73046 | 0.54660 | 0.33154 |
3 | 0.23046 | 0.95340 | 0.83154 |
4 | 0.26954 | 0.45340 | 0.66846 |
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5 | 0.26954 | 0.54660 | 0.16846 |
6 | 0.23046 | 0.04660 | 0.33154 |
7 | 0.73046 | 0.45340 | 0.83154 |
8 | 0.76954 | 0.95340 | 0.66846 |
Set of atoms in the unit cell related by symmetry with the atom N1:
Atom | x | y | z |
1 | 0.00000 | 0.32934 | 0.25000 |
2 | 0.00000 | 0.67066 | 0.75000 |
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3 | 0.50000 | 0.82934 | 0.25000 |
4 | 0.50000 | 0.17066 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00648 | 0.82170 | 0.08952 |
2 | 0.49352 | 0.32170 | 0.41048 |
3 | 0.99352 | 0.17830 | 0.91048 |
4 | 0.50648 | 0.67830 | 0.58952 |
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5 | 0.50648 | 0.32170 | 0.08952 |
6 | 0.99352 | 0.82170 | 0.41048 |
7 | 0.49352 | 0.67830 | 0.91048 |
8 | 0.00648 | 0.17830 | 0.58952 |
Set of atoms in the unit cell related by symmetry with the atom C1:
Atom | x | y | z |
1 | 0.00000 | 0.77094 | 0.25000 |
2 | 0.00000 | 0.22906 | 0.75000 |
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3 | 0.50000 | 0.27094 | 0.25000 |
4 | 0.50000 | 0.72906 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom H1:
Atom | x | y | z |
1 | 0.00000 | 0.68600 | 0.25000 |
2 | 0.00000 | 0.31400 | 0.75000 |
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3 | 0.50000 | 0.18600 | 0.25000 |
4 | 0.50000 | 0.81400 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom H2:
Atom | x | y | z |
1 | 0.40400 | 0.87420 | 0.23100 |
2 | 0.09600 | 0.37420 | 0.26900 |
3 | 0.59600 | 0.12580 | 0.76900 |
4 | 0.90400 | 0.62580 | 0.73100 |
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5 | 0.90400 | 0.37420 | 0.23100 |
6 | 0.59600 | 0.87420 | 0.26900 |
7 | 0.09600 | 0.62580 | 0.76900 |
8 | 0.40400 | 0.12580 | 0.73100 |
Set of atoms in the unit cell related by symmetry with the atom H3:
Atom | x | y | z |
1 | 0.48800 | 0.78450 | 0.13900 |
2 | 0.01200 | 0.28450 | 0.36100 |
3 | 0.51200 | 0.21550 | 0.86100 |
4 | 0.98800 | 0.71550 | 0.63900 |
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5 | 0.98800 | 0.28450 | 0.13900 |
6 | 0.51200 | 0.78450 | 0.36100 |
7 | 0.01200 | 0.71550 | 0.86100 |
8 | 0.48800 | 0.21550 | 0.63900 |
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