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_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33333 | 0.00000 | 0.12500 | mx,my,mz | 2.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.33333 | 0.12500 | -my,mx-my,mz | 0.00000 | 2.00000 | 0.00000 |
3 | 0.66667 | 0.66667 | 0.12500 | -mx+my,-mx,mz | -2.00000 | -2.00000 | 0.00000 |
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4 | 0.33333 | 0.00000 | 0.62500 | -mx,-my,-mz | -2.00000 | 0.00000 | 0.00000 |
5 | 0.00000 | 0.33333 | 0.62500 | my,-mx+my,-mz | 0.00000 | -2.00000 | 0.00000 |
6 | 0.66667 | 0.66667 | 0.62500 | mx-my,mx,-mz | 2.00000 | 2.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33333 | 0.00000 | 0.37500 | mx,my,mz | 1.15470 | 2.30940 | 0.00000 |
2 | 0.00000 | 0.33333 | 0.37500 | -my,mx-my,mz | -2.30940 | -1.15470 | 0.00000 |
3 | 0.66667 | 0.66667 | 0.37500 | -mx+my,-mx,mz | 1.15470 | -1.15470 | 0.00000 |
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4 | 0.33333 | 0.00000 | 0.87500 | -mx,-my,-mz | -1.15470 | -2.30940 | 0.00000 |
5 | 0.00000 | 0.33333 | 0.87500 | my,-mx+my,-mz | 2.30940 | 1.15470 | 0.00000 |
6 | 0.66667 | 0.66667 | 0.87500 | mx-my,mx,-mz | -1.15470 | 1.15470 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom K1_1:
Atom | x | y | z |
1 | 0.33333 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.33333 | 0.25000 |
3 | 0.66667 | 0.66667 | 0.25000 |
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4 | 0.33333 | 0.00000 | 0.75000 |
5 | 0.00000 | 0.33333 | 0.75000 |
6 | 0.66667 | 0.66667 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom K1_2:
Atom | x | y | z |
1 | 0.33333 | 0.00000 | 0.50000 |
2 | 0.00000 | 0.33333 | 0.50000 |
3 | 0.66667 | 0.66667 | 0.50000 |
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4 | 0.33333 | 0.00000 | 0.00000 |
5 | 0.00000 | 0.33333 | 0.00000 |
6 | 0.66667 | 0.66667 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom P1_1:
Atom | x | y | z |
1 | 0.33333 | 0.33333 | 0.17710 |
2 | 0.66667 | 0.00000 | 0.17710 |
3 | 0.00000 | 0.66667 | 0.17710 |
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4 | 0.33333 | 0.33333 | 0.67710 |
5 | 0.66667 | 0.00000 | 0.67710 |
6 | 0.00000 | 0.66667 | 0.67710 |
Set of atoms in the unit cell related by symmetry with the atom P1_2:
Atom | x | y | z |
1 | 0.66666 | 0.33333 | 0.07290 |
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2 | 0.66666 | 0.33333 | 0.57290 |
Set of atoms in the unit cell related by symmetry with the atom P1_3:
Atom | x | y | z |
1 | 0.33333 | 0.33333 | 0.42710 |
2 | 0.66667 | 0.00000 | 0.42710 |
3 | 0.00000 | 0.66667 | 0.42710 |
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4 | 0.33333 | 0.33333 | 0.92710 |
5 | 0.66667 | 0.00000 | 0.92710 |
6 | 0.00000 | 0.66667 | 0.92710 |
Set of atoms in the unit cell related by symmetry with the atom P1_4:
Atom | x | y | z |
1 | 0.66666 | 0.33333 | 0.32290 |
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2 | 0.66666 | 0.33333 | 0.82290 |
Set of atoms in the unit cell related by symmetry with the atom P1_5:
Atom | x | y | z |
1 | 0.33333 | 0.66666 | 0.07290 |
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2 | 0.33333 | 0.66666 | 0.57290 |
Set of atoms in the unit cell related by symmetry with the atom P1_6:
Atom | x | y | z |
1 | 0.33333 | 0.66666 | 0.32290 |
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2 | 0.33333 | 0.66666 | 0.82290 |
Set of atoms in the unit cell related by symmetry with the atom P1_7:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.07290 |
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2 | 0.00000 | 0.00000 | 0.57290 |
Set of atoms in the unit cell related by symmetry with the atom P1_8:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.32290 |
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2 | 0.00000 | 0.00000 | 0.82290 |
Set of atoms in the unit cell related by symmetry with the atom F1_1:
Atom | x | y | z |
1 | 0.33333 | 0.33333 | 0.23258 |
2 | 0.66667 | 0.00000 | 0.23258 |
3 | 0.00000 | 0.66667 | 0.23258 |
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4 | 0.33333 | 0.33333 | 0.73258 |
5 | 0.66667 | 0.00000 | 0.73258 |
6 | 0.00000 | 0.66667 | 0.73258 |
Set of atoms in the unit cell related by symmetry with the atom F1_2:
Atom | x | y | z |
1 | 0.66666 | 0.33333 | 0.01743 |
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2 | 0.66666 | 0.33333 | 0.51743 |
Set of atoms in the unit cell related by symmetry with the atom F1_3:
Atom | x | y | z |
1 | 0.33333 | 0.33333 | 0.48257 |
2 | 0.66667 | 0.00000 | 0.48257 |
3 | 0.00000 | 0.66667 | 0.48257 |
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4 | 0.33333 | 0.33333 | 0.98257 |
5 | 0.66667 | 0.00000 | 0.98257 |
6 | 0.00000 | 0.66667 | 0.98257 |
Set of atoms in the unit cell related by symmetry with the atom F1_4:
Atom | x | y | z |
1 | 0.66666 | 0.33333 | 0.26742 |
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2 | 0.66666 | 0.33333 | 0.76742 |
Set of atoms in the unit cell related by symmetry with the atom F1_5:
Atom | x | y | z |
1 | 0.33333 | 0.66666 | 0.01743 |
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2 | 0.33333 | 0.66666 | 0.51743 |
Set of atoms in the unit cell related by symmetry with the atom F1_6:
Atom | x | y | z |
1 | 0.33333 | 0.66666 | 0.26742 |
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2 | 0.33333 | 0.66666 | 0.76742 |
Set of atoms in the unit cell related by symmetry with the atom F1_7:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.01743 |
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2 | 0.00000 | 0.00000 | 0.51743 |
Set of atoms in the unit cell related by symmetry with the atom F1_8:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.26742 |
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2 | 0.00000 | 0.00000 | 0.76742 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.15666 | 0.29067 | 0.16962 |
2 | 0.70933 | 0.86599 | 0.16962 |
3 | 0.13401 | 0.84334 | 0.16962 |
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4 | 0.15666 | 0.29067 | 0.66962 |
5 | 0.70933 | 0.86599 | 0.66962 |
6 | 0.13401 | 0.84334 | 0.66962 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.04266 | 0.53266 | 0.16962 |
2 | 0.46734 | 0.51000 | 0.16962 |
3 | 0.49000 | 0.95734 | 0.16962 |
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4 | 0.04266 | 0.53266 | 0.66962 |
5 | 0.46734 | 0.51000 | 0.66962 |
6 | 0.49000 | 0.95734 | 0.66962 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.80067 | 0.17667 | 0.16962 |
2 | 0.82333 | 0.62400 | 0.16962 |
3 | 0.37600 | 0.19933 | 0.16962 |
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4 | 0.80067 | 0.17667 | 0.66962 |
5 | 0.82333 | 0.62400 | 0.66962 |
6 | 0.37600 | 0.19933 | 0.66962 |
Set of atoms in the unit cell related by symmetry with the atom O1_4:
Atom | x | y | z |
1 | 0.51000 | 0.70933 | 0.08037 |
2 | 0.29067 | 0.80067 | 0.08037 |
3 | 0.19933 | 0.49000 | 0.08037 |
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4 | 0.51000 | 0.70933 | 0.58037 |
5 | 0.29067 | 0.80067 | 0.58037 |
6 | 0.19933 | 0.49000 | 0.58037 |
Set of atoms in the unit cell related by symmetry with the atom O1_5:
Atom | x | y | z |
1 | 0.62400 | 0.46734 | 0.08037 |
2 | 0.53266 | 0.15666 | 0.08037 |
3 | 0.84334 | 0.37600 | 0.08037 |
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4 | 0.62400 | 0.46734 | 0.58037 |
5 | 0.53266 | 0.15666 | 0.58037 |
6 | 0.84334 | 0.37600 | 0.58037 |
Set of atoms in the unit cell related by symmetry with the atom O1_6:
Atom | x | y | z |
1 | 0.86599 | 0.82333 | 0.08037 |
2 | 0.17667 | 0.04266 | 0.08037 |
3 | 0.95734 | 0.13401 | 0.08037 |
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4 | 0.86599 | 0.82333 | 0.58037 |
5 | 0.17667 | 0.04266 | 0.58037 |
6 | 0.95734 | 0.13401 | 0.58037 |
Set of atoms in the unit cell related by symmetry with the atom O1_7:
Atom | x | y | z |
1 | 0.15666 | 0.29067 | 0.41963 |
2 | 0.70933 | 0.86599 | 0.41963 |
3 | 0.13401 | 0.84334 | 0.41963 |
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4 | 0.15666 | 0.29067 | 0.91963 |
5 | 0.70933 | 0.86599 | 0.91963 |
6 | 0.13401 | 0.84334 | 0.91963 |
Set of atoms in the unit cell related by symmetry with the atom O1_8:
Atom | x | y | z |
1 | 0.04266 | 0.53266 | 0.41963 |
2 | 0.46734 | 0.51000 | 0.41963 |
3 | 0.49000 | 0.95734 | 0.41963 |
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4 | 0.04266 | 0.53266 | 0.91963 |
5 | 0.46734 | 0.51000 | 0.91963 |
6 | 0.49000 | 0.95734 | 0.91963 |
Set of atoms in the unit cell related by symmetry with the atom O1_9:
Atom | x | y | z |
1 | 0.80067 | 0.17667 | 0.41963 |
2 | 0.82333 | 0.62400 | 0.41963 |
3 | 0.37600 | 0.19933 | 0.41963 |
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4 | 0.80067 | 0.17667 | 0.91963 |
5 | 0.82333 | 0.62400 | 0.91963 |
6 | 0.37600 | 0.19933 | 0.91963 |
Set of atoms in the unit cell related by symmetry with the atom O1_10:
Atom | x | y | z |
1 | 0.51000 | 0.70933 | 0.33038 |
2 | 0.29067 | 0.80067 | 0.33038 |
3 | 0.19933 | 0.49000 | 0.33038 |
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4 | 0.51000 | 0.70933 | 0.83038 |
5 | 0.29067 | 0.80067 | 0.83038 |
6 | 0.19933 | 0.49000 | 0.83038 |
Set of atoms in the unit cell related by symmetry with the atom O1_11:
Atom | x | y | z |
1 | 0.62400 | 0.46734 | 0.33038 |
2 | 0.53266 | 0.15666 | 0.33038 |
3 | 0.84334 | 0.37600 | 0.33038 |
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4 | 0.62400 | 0.46734 | 0.83038 |
5 | 0.53266 | 0.15666 | 0.83038 |
6 | 0.84334 | 0.37600 | 0.83038 |
Set of atoms in the unit cell related by symmetry with the atom O1_12:
Atom | x | y | z |
1 | 0.86599 | 0.82333 | 0.33038 |
2 | 0.17667 | 0.04266 | 0.33038 |
3 | 0.95734 | 0.13401 | 0.33038 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.86599 | 0.82333 | 0.83038 |
5 | 0.17667 | 0.04266 | 0.83038 |
6 | 0.95734 | 0.13401 | 0.83038 |
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