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 Mn1_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33520 | 0.32810 | 0.25200 | mx,my,mz | 2.40000 | 0.00000 | 0.00000 |
2 | 0.66480 | 0.32810 | 0.75200 | mx,-my,-mz | 2.40000 | 0.00000 | 0.00000 |
3 | 0.66480 | 0.67190 | 0.25200 | mx,my,-mz | 2.40000 | 0.00000 | 0.00000 |
4 | 0.33520 | 0.67190 | 0.75200 | mx,-my,mz | 2.40000 | 0.00000 | 0.00000 |
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5 | 0.83520 | 0.82810 | 0.75200 | mx,my,mz | 2.40000 | 0.00000 | 0.00000 |
6 | 0.16480 | 0.82810 | 0.25200 | mx,-my,-mz | 2.40000 | 0.00000 | 0.00000 |
7 | 0.16480 | 0.17190 | 0.75200 | mx,my,-mz | 2.40000 | 0.00000 | 0.00000 |
8 | 0.83520 | 0.17190 | 0.25200 | mx,-my,mz | 2.40000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.67190 | 0.83520 | 0.50200 | mx,my,mz | -2.40000 | 0.00000 | 0.00000 |
2 | 0.32810 | 0.83520 | 0.00200 | mx,-my,-mz | -2.40000 | 0.00000 | 0.00000 |
3 | 0.32810 | 0.16480 | 0.50200 | mx,my,-mz | -2.40000 | 0.00000 | 0.00000 |
4 | 0.67190 | 0.16480 | 0.00200 | mx,-my,mz | -2.40000 | 0.00000 | 0.00000 |
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5 | 0.17190 | 0.33520 | 0.00200 | mx,my,mz | -2.40000 | 0.00000 | 0.00000 |
6 | 0.82810 | 0.33520 | 0.50200 | mx,-my,-mz | -2.40000 | 0.00000 | 0.00000 |
7 | 0.82810 | 0.66480 | 0.00200 | mx,my,-mz | -2.40000 | 0.00000 | 0.00000 |
8 | 0.17190 | 0.66480 | 0.50200 | mx,-my,mz | -2.40000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.50000 |
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3 | 0.50000 | 0.50000 | 0.50000 |
4 | 0.50000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_2:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.25000 |
2 | 0.00000 | 0.50000 | 0.75000 |
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3 | 0.50000 | 0.00000 | 0.75000 |
4 | 0.50000 | 0.00000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom V1_1:
Atom | x | y | z |
1 | 0.25302 | 0.07669 | 0.11128 |
2 | 0.74698 | 0.07669 | 0.61128 |
3 | 0.74698 | 0.92331 | 0.11128 |
4 | 0.25302 | 0.92331 | 0.61128 |
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5 | 0.75302 | 0.57669 | 0.61128 |
6 | 0.24698 | 0.57669 | 0.11128 |
7 | 0.24698 | 0.42331 | 0.61128 |
8 | 0.75302 | 0.42331 | 0.11128 |
Set of atoms in the unit cell related by symmetry with the atom V1_2:
Atom | x | y | z |
1 | 0.92331 | 0.75302 | 0.36128 |
2 | 0.07669 | 0.75302 | 0.86128 |
3 | 0.07669 | 0.24698 | 0.36128 |
4 | 0.92331 | 0.24698 | 0.86128 |
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5 | 0.42331 | 0.25302 | 0.86128 |
6 | 0.57669 | 0.25302 | 0.36128 |
7 | 0.57669 | 0.74698 | 0.86128 |
8 | 0.42331 | 0.74698 | 0.36128 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.16250 | 0.50700 | 0.04710 |
2 | 0.83750 | 0.50700 | 0.54710 |
3 | 0.83750 | 0.49300 | 0.04710 |
4 | 0.16250 | 0.49300 | 0.54710 |
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5 | 0.66250 | 0.00700 | 0.54710 |
6 | 0.33750 | 0.00700 | 0.04710 |
7 | 0.33750 | 0.99300 | 0.54710 |
8 | 0.66250 | 0.99300 | 0.04710 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.49300 | 0.66250 | 0.29710 |
2 | 0.50700 | 0.66250 | 0.79710 |
3 | 0.50700 | 0.33750 | 0.29710 |
4 | 0.49300 | 0.33750 | 0.79710 |
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5 | 0.99300 | 0.16250 | 0.79710 |
6 | 0.00700 | 0.16250 | 0.29710 |
7 | 0.00700 | 0.83750 | 0.79710 |
8 | 0.99300 | 0.83750 | 0.29710 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.35650 | 0.67080 | 0.51830 |
2 | 0.64350 | 0.67080 | 0.01830 |
3 | 0.64350 | 0.32920 | 0.51830 |
4 | 0.35650 | 0.32920 | 0.01830 |
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5 | 0.85650 | 0.17080 | 0.01830 |
6 | 0.14350 | 0.17080 | 0.51830 |
7 | 0.14350 | 0.82920 | 0.01830 |
8 | 0.85650 | 0.82920 | 0.51830 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.32920 | 0.85650 | 0.76830 |
2 | 0.67080 | 0.85650 | 0.26830 |
3 | 0.67080 | 0.14350 | 0.76830 |
4 | 0.32920 | 0.14350 | 0.26830 |
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5 | 0.82920 | 0.35650 | 0.26830 |
6 | 0.17080 | 0.35650 | 0.76830 |
7 | 0.17080 | 0.64350 | 0.26830 |
8 | 0.82920 | 0.64350 | 0.76830 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.16530 | 0.67840 | 0.75720 |
2 | 0.83470 | 0.67840 | 0.25720 |
3 | 0.83470 | 0.32160 | 0.75720 |
4 | 0.16530 | 0.32160 | 0.25720 |
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5 | 0.66530 | 0.17840 | 0.25720 |
6 | 0.33470 | 0.17840 | 0.75720 |
7 | 0.33470 | 0.82160 | 0.25720 |
8 | 0.66530 | 0.82160 | 0.75720 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.32160 | 0.66530 | 0.00720 |
2 | 0.67840 | 0.66530 | 0.50720 |
3 | 0.67840 | 0.33470 | 0.00720 |
4 | 0.32160 | 0.33470 | 0.50720 |
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5 | 0.82160 | 0.16530 | 0.50720 |
6 | 0.17840 | 0.16530 | 0.00720 |
7 | 0.17840 | 0.83470 | 0.50720 |
8 | 0.82160 | 0.83470 | 0.00720 |
Set of atoms in the unit cell related by symmetry with the atom O4_1:
Atom | x | y | z |
1 | 0.34000 | 0.49580 | 0.23380 |
2 | 0.66000 | 0.49580 | 0.73380 |
3 | 0.66000 | 0.50420 | 0.23380 |
4 | 0.34000 | 0.50420 | 0.73380 |
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5 | 0.84000 | 0.99580 | 0.73380 |
6 | 0.16000 | 0.99580 | 0.23380 |
7 | 0.16000 | 0.00420 | 0.73380 |
8 | 0.84000 | 0.00420 | 0.23380 |
Set of atoms in the unit cell related by symmetry with the atom O4_2:
Atom | x | y | z |
1 | 0.50420 | 0.84000 | 0.48380 |
2 | 0.49580 | 0.84000 | 0.98380 |
3 | 0.49580 | 0.16000 | 0.48380 |
4 | 0.50420 | 0.16000 | 0.98380 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.00420 | 0.34000 | 0.98380 |
6 | 0.99580 | 0.34000 | 0.48380 |
7 | 0.99580 | 0.66000 | 0.98380 |
8 | 0.00420 | 0.66000 | 0.48380 |
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