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 | 0.50000 | 0.00000 | mx,my,mz | -1.80000 | 3.60000 | 2.50000 |
2 | 0.00000 | 0.50000 | 0.50000 | mx,-my,mz | -1.80000 | -3.60000 | 2.50000 |
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3 | 0.50000 | 0.00000 | 0.00000 | mx,my,mz | -1.80000 | 3.60000 | 2.50000 |
4 | 0.50000 | 0.00000 | 0.50000 | mx,-my,mz | -1.80000 | -3.60000 | 2.50000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Na1:
Atom | x | y | z |
1 | 0.33130 | 0.47080 | 0.08450 |
2 | 0.66870 | 0.52920 | 0.91550 |
3 | 0.66870 | 0.47080 | 0.41550 |
4 | 0.33130 | 0.52920 | 0.58450 |
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5 | 0.83130 | 0.97080 | 0.08450 |
6 | 0.16870 | 0.02920 | 0.91550 |
7 | 0.16870 | 0.97080 | 0.41550 |
8 | 0.83130 | 0.02920 | 0.58450 |
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00000 | 0.44418 | 0.25000 |
2 | 0.00000 | 0.55582 | 0.75000 |
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3 | 0.50000 | 0.94418 | 0.25000 |
4 | 0.50000 | 0.05582 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom V1:
Atom | x | y | z |
1 | 0.33252 | 0.47220 | 0.36802 |
2 | 0.66748 | 0.52780 | 0.63198 |
3 | 0.66748 | 0.47220 | 0.13198 |
4 | 0.33252 | 0.52780 | 0.86802 |
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5 | 0.83252 | 0.97220 | 0.36802 |
6 | 0.16748 | 0.02780 | 0.63198 |
7 | 0.16748 | 0.97220 | 0.13198 |
8 | 0.83252 | 0.02780 | 0.86802 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.32380 | 0.51380 | 0.25020 |
2 | 0.67620 | 0.48620 | 0.74980 |
3 | 0.67620 | 0.51380 | 0.24980 |
4 | 0.32380 | 0.48620 | 0.75020 |
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5 | 0.82380 | 0.01380 | 0.25020 |
6 | 0.17620 | 0.98620 | 0.74980 |
7 | 0.17620 | 0.01380 | 0.24980 |
8 | 0.82380 | 0.98620 | 0.75020 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.38700 | 0.73430 | 0.41970 |
2 | 0.61300 | 0.26570 | 0.58030 |
3 | 0.61300 | 0.73430 | 0.08030 |
4 | 0.38700 | 0.26570 | 0.91970 |
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5 | 0.88700 | 0.23430 | 0.41970 |
6 | 0.11300 | 0.76570 | 0.58030 |
7 | 0.11300 | 0.23430 | 0.08030 |
8 | 0.88700 | 0.76570 | 0.91970 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.45100 | 0.24710 | 0.39680 |
2 | 0.54900 | 0.75290 | 0.60320 |
3 | 0.54900 | 0.24710 | 0.10320 |
4 | 0.45100 | 0.75290 | 0.89680 |
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5 | 0.95100 | 0.74710 | 0.39680 |
6 | 0.04900 | 0.25290 | 0.60320 |
7 | 0.04900 | 0.74710 | 0.10320 |
8 | 0.95100 | 0.25290 | 0.89680 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.17050 | 0.40220 | 0.41210 |
2 | 0.82950 | 0.59780 | 0.58790 |
3 | 0.82950 | 0.40220 | 0.08790 |
4 | 0.17050 | 0.59780 | 0.91210 |
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5 | 0.67050 | 0.90220 | 0.41210 |
6 | 0.32950 | 0.09780 | 0.58790 |
7 | 0.32950 | 0.90220 | 0.08790 |
8 | 0.67050 | 0.09780 | 0.91210 |
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