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 | 0.25000 | 0.25000 | 0.08010 | mx,my,0 | 4.05000 | -0.35000 | 0.00000 |
2 | 0.25000 | 0.75000 | 0.58010 | -my,mx,0 | 0.35000 | 4.05000 | 0.00000 |
3 | 0.25000 | 0.25000 | 0.91990 | mx,my,0 | 4.05000 | -0.35000 | 0.00000 |
4 | 0.25000 | 0.75000 | 0.41990 | -my,mx,0 | 0.35000 | 4.05000 | 0.00000 |
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5 | 0.75000 | 0.75000 | 0.08010 | -mx,-my,0 | -4.05000 | 0.35000 | 0.00000 |
6 | 0.75000 | 0.25000 | 0.58010 | my,-mx,0 | -0.35000 | -4.05000 | 0.00000 |
7 | 0.75000 | 0.75000 | 0.91990 | -mx,-my,0 | -4.05000 | 0.35000 | 0.00000 |
8 | 0.75000 | 0.25000 | 0.41990 | my,-mx,0 | -0.35000 | -4.05000 | 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 | 0.25000 | 0.25000 | 0.41990 | mx,my,0 | 4.05000 | -0.35000 | 0.00000 |
2 | 0.25000 | 0.75000 | 0.91990 | -my,mx,0 | 0.35000 | 4.05000 | 0.00000 |
3 | 0.25000 | 0.25000 | 0.58010 | mx,my,0 | 4.05000 | -0.35000 | 0.00000 |
4 | 0.25000 | 0.75000 | 0.08010 | -my,mx,0 | 0.35000 | 4.05000 | 0.00000 |
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5 | 0.75000 | 0.75000 | 0.41990 | -mx,-my,0 | -4.05000 | 0.35000 | 0.00000 |
6 | 0.75000 | 0.25000 | 0.91990 | my,-mx,0 | -0.35000 | -4.05000 | 0.00000 |
7 | 0.75000 | 0.75000 | 0.58010 | -mx,-my,0 | -4.05000 | 0.35000 | 0.00000 |
8 | 0.75000 | 0.25000 | 0.08010 | my,-mx,0 | -0.35000 | -4.05000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00630 | 0.84480 | 0.00000 | mx,my,0 | 2.18000 | -2.53000 | 0.00000 |
2 | 0.65520 | 0.50630 | 0.50000 | -my,mx,0 | 2.53000 | 2.18000 | 0.00000 |
3 | 0.34480 | 0.49370 | 0.50000 | my,-mx,0 | -2.53000 | -2.18000 | 0.00000 |
4 | 0.99370 | 0.15520 | 0.00000 | -mx,-my,0 | -2.18000 | 2.53000 | 0.00000 |
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5 | 0.50630 | 0.34480 | 0.00000 | -mx,-my,0 | -2.18000 | 2.53000 | 0.00000 |
6 | 0.15520 | 0.00630 | 0.50000 | my,-mx,0 | -2.53000 | -2.18000 | 0.00000 |
7 | 0.84480 | 0.99370 | 0.50000 | -my,mx,0 | 2.53000 | 2.18000 | 0.00000 |
8 | 0.49370 | 0.65520 | 0.00000 | mx,my,0 | 2.18000 | -2.53000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00630 | 0.65520 | 0.50000 | mx,my,0 | 2.53000 | -2.18000 | 0.00000 |
2 | 0.84480 | 0.50630 | 0.00000 | -my,mx,0 | 2.18000 | 2.53000 | 0.00000 |
3 | 0.15520 | 0.49370 | 0.00000 | my,-mx,0 | -2.18000 | -2.53000 | 0.00000 |
4 | 0.99370 | 0.34480 | 0.50000 | -mx,-my,0 | -2.53000 | 2.18000 | 0.00000 |
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5 | 0.50630 | 0.15520 | 0.50000 | -mx,-my,0 | -2.53000 | 2.18000 | 0.00000 |
6 | 0.34480 | 0.00630 | 0.00000 | my,-mx,0 | -2.18000 | -2.53000 | 0.00000 |
7 | 0.65520 | 0.99370 | 0.00000 | -my,mx,0 | 2.18000 | 2.53000 | 0.00000 |
8 | 0.49370 | 0.84480 | 0.50000 | mx,my,0 | 2.53000 | -2.18000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.25000 | 0.25000 | mx,my,0 | 4.05000 | 0.35000 | 0.00000 |
2 | 0.25000 | 0.75000 | 0.75000 | -my,mx,0 | -0.35000 | 4.05000 | 0.00000 |
3 | 0.25000 | 0.25000 | 0.75000 | mx,my,0 | 4.05000 | 0.35000 | 0.00000 |
4 | 0.25000 | 0.75000 | 0.25000 | -my,mx,0 | -0.35000 | 4.05000 | 0.00000 |
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5 | 0.75000 | 0.75000 | 0.25000 | -mx,-my,0 | -4.05000 | -0.35000 | 0.00000 |
6 | 0.75000 | 0.25000 | 0.75000 | my,-mx,0 | 0.35000 | -4.05000 | 0.00000 |
7 | 0.75000 | 0.75000 | 0.75000 | -mx,-my,0 | -4.05000 | -0.35000 | 0.00000 |
8 | 0.75000 | 0.25000 | 0.25000 | my,-mx,0 | 0.35000 | -4.05000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Bi11:
Atom | x | y | z |
1 | 0.00501 | 0.66439 | 0.15718 |
2 | 0.83561 | 0.50501 | 0.65718 |
3 | 0.16439 | 0.49499 | 0.65718 |
4 | 0.99499 | 0.33561 | 0.15718 |
5 | 0.49499 | 0.83561 | 0.84282 |
6 | 0.66439 | 0.99499 | 0.34282 |
7 | 0.33561 | 0.00501 | 0.34282 |
8 | 0.50501 | 0.16439 | 0.84282 |
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9 | 0.50501 | 0.16439 | 0.15718 |
10 | 0.33561 | 0.00501 | 0.65718 |
11 | 0.66439 | 0.99499 | 0.65718 |
12 | 0.49499 | 0.83561 | 0.15718 |
13 | 0.99499 | 0.33561 | 0.84282 |
14 | 0.16439 | 0.49499 | 0.34282 |
15 | 0.83561 | 0.50501 | 0.34282 |
16 | 0.00501 | 0.66439 | 0.84282 |
Set of atoms in the unit cell related by symmetry with the atom Bi13:
Atom | x | y | z |
1 | 0.00501 | 0.83561 | 0.34282 |
2 | 0.66439 | 0.50501 | 0.84282 |
3 | 0.33561 | 0.49499 | 0.84282 |
4 | 0.99499 | 0.16439 | 0.34282 |
5 | 0.49499 | 0.66439 | 0.65718 |
6 | 0.83561 | 0.99499 | 0.15718 |
7 | 0.16439 | 0.00501 | 0.15718 |
8 | 0.50501 | 0.33561 | 0.65718 |
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9 | 0.50501 | 0.33561 | 0.34282 |
10 | 0.16439 | 0.00501 | 0.84282 |
11 | 0.83561 | 0.99499 | 0.84282 |
12 | 0.49499 | 0.66439 | 0.34282 |
13 | 0.99499 | 0.16439 | 0.65718 |
14 | 0.33561 | 0.49499 | 0.15718 |
15 | 0.66439 | 0.50501 | 0.15718 |
16 | 0.00501 | 0.83561 | 0.65718 |
Set of atoms in the unit cell related by symmetry with the atom O11:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.50000 |
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3 | 0.50000 | 0.50000 | 0.00000 |
4 | 0.00000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O13:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.50000 |
2 | 0.00000 | 0.50000 | 0.00000 |
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3 | 0.50000 | 0.00000 | 0.50000 |
4 | 0.50000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O21:
Atom | x | y | z |
1 | 0.70772 | 0.58406 | 0.58635 |
2 | 0.91594 | 0.20772 | 0.08635 |
3 | 0.08406 | 0.79228 | 0.08635 |
4 | 0.29228 | 0.41594 | 0.58635 |
5 | 0.79228 | 0.91594 | 0.41365 |
6 | 0.58406 | 0.29228 | 0.91365 |
7 | 0.41594 | 0.70772 | 0.91365 |
8 | 0.20772 | 0.08406 | 0.41365 |
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9 | 0.20772 | 0.08406 | 0.58635 |
10 | 0.41594 | 0.70772 | 0.08635 |
11 | 0.58406 | 0.29228 | 0.08635 |
12 | 0.79228 | 0.91594 | 0.58635 |
13 | 0.29228 | 0.41594 | 0.41365 |
14 | 0.08406 | 0.79228 | 0.91365 |
15 | 0.91594 | 0.20772 | 0.91365 |
16 | 0.70772 | 0.58406 | 0.41365 |
Set of atoms in the unit cell related by symmetry with the atom O23:
Atom | x | y | z |
1 | 0.70772 | 0.91594 | 0.91365 |
2 | 0.58406 | 0.20772 | 0.41365 |
3 | 0.41594 | 0.79228 | 0.41365 |
4 | 0.29228 | 0.08406 | 0.91365 |
5 | 0.79228 | 0.58406 | 0.08635 |
6 | 0.91594 | 0.29228 | 0.58635 |
7 | 0.08406 | 0.70772 | 0.58635 |
8 | 0.20772 | 0.41594 | 0.08635 |
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9 | 0.20772 | 0.41594 | 0.91365 |
10 | 0.08406 | 0.70772 | 0.41365 |
11 | 0.91594 | 0.29228 | 0.41365 |
12 | 0.79228 | 0.58406 | 0.91365 |
13 | 0.29228 | 0.08406 | 0.08635 |
14 | 0.41594 | 0.79228 | 0.58635 |
15 | 0.58406 | 0.20772 | 0.58635 |
16 | 0.70772 | 0.91594 | 0.08635 |
Set of atoms in the unit cell related by symmetry with the atom F11:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25840 |
2 | 0.50000 | 0.50000 | 0.75840 |
3 | 0.50000 | 0.50000 | 0.74160 |
4 | 0.00000 | 0.00000 | 0.24160 |
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5 | 0.50000 | 0.50000 | 0.25840 |
6 | 0.00000 | 0.00000 | 0.75840 |
7 | 0.00000 | 0.00000 | 0.74160 |
8 | 0.50000 | 0.50000 | 0.24160 |
Set of atoms in the unit cell related by symmetry with the atom F13:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.25840 |
2 | 0.00000 | 0.50000 | 0.75840 |
3 | 0.50000 | 0.00000 | 0.74160 |
4 | 0.50000 | 0.00000 | 0.24160 |
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5 | 0.50000 | 0.00000 | 0.25840 |
6 | 0.50000 | 0.00000 | 0.75840 |
7 | 0.00000 | 0.50000 | 0.74160 |
8 | 0.00000 | 0.50000 | 0.24160 |
Set of atoms in the unit cell related by symmetry with the atom O31:
Atom | x | y | z |
1 | 0.77220 | 0.36270 | 0.00000 |
2 | 0.13730 | 0.27220 | 0.50000 |
3 | 0.86270 | 0.72780 | 0.50000 |
4 | 0.22780 | 0.63730 | 0.00000 |
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5 | 0.27220 | 0.86270 | 0.00000 |
6 | 0.63730 | 0.77220 | 0.50000 |
7 | 0.36270 | 0.22780 | 0.50000 |
8 | 0.72780 | 0.13730 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O33:
Atom | x | y | z |
1 | 0.77220 | 0.13730 | 0.50000 |
2 | 0.36270 | 0.27220 | 0.00000 |
3 | 0.63730 | 0.72780 | 0.00000 |
4 | 0.22780 | 0.86270 | 0.50000 |
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5 | 0.27220 | 0.63730 | 0.50000 |
6 | 0.86270 | 0.77220 | 0.00000 |
7 | 0.13730 | 0.22780 | 0.00000 |
8 | 0.72780 | 0.36270 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O41:
Atom | x | y | z |
1 | 0.74370 | 0.57620 | 0.75000 |
2 | 0.92380 | 0.24370 | 0.25000 |
3 | 0.07620 | 0.75630 | 0.25000 |
4 | 0.25630 | 0.42380 | 0.75000 |
5 | 0.75630 | 0.92380 | 0.25000 |
6 | 0.57620 | 0.25630 | 0.75000 |
7 | 0.42380 | 0.74370 | 0.75000 |
8 | 0.24370 | 0.07620 | 0.25000 |
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9 | 0.24370 | 0.07620 | 0.75000 |
10 | 0.42380 | 0.74370 | 0.25000 |
11 | 0.57620 | 0.25630 | 0.25000 |
12 | 0.75630 | 0.92380 | 0.75000 |
13 | 0.25630 | 0.42380 | 0.25000 |
14 | 0.07620 | 0.75630 | 0.75000 |
15 | 0.92380 | 0.24370 | 0.75000 |
16 | 0.74370 | 0.57620 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom O51:
Atom | x | y | z |
1 | 0.86070 | 0.72073 | 0.33318 |
2 | 0.77927 | 0.36070 | 0.83318 |
3 | 0.22073 | 0.63930 | 0.83318 |
4 | 0.13930 | 0.27927 | 0.33318 |
5 | 0.63930 | 0.77927 | 0.66682 |
6 | 0.72073 | 0.13930 | 0.16682 |
7 | 0.27927 | 0.86070 | 0.16682 |
8 | 0.36070 | 0.22073 | 0.66682 |
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9 | 0.36070 | 0.22073 | 0.33318 |
10 | 0.27927 | 0.86070 | 0.83318 |
11 | 0.72073 | 0.13930 | 0.83318 |
12 | 0.63930 | 0.77927 | 0.33318 |
13 | 0.13930 | 0.27927 | 0.66682 |
14 | 0.22073 | 0.63930 | 0.16682 |
15 | 0.77927 | 0.36070 | 0.16682 |
16 | 0.86070 | 0.72073 | 0.66682 |
Set of atoms in the unit cell related by symmetry with the atom O53:
Atom | x | y | z |
1 | 0.86070 | 0.77927 | 0.16682 |
2 | 0.72073 | 0.36070 | 0.66682 |
3 | 0.27927 | 0.63930 | 0.66682 |
4 | 0.13930 | 0.22073 | 0.16682 |
5 | 0.63930 | 0.72073 | 0.83318 |
6 | 0.77927 | 0.13930 | 0.33318 |
7 | 0.22073 | 0.86070 | 0.33318 |
8 | 0.36070 | 0.27927 | 0.83318 |
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9 | 0.36070 | 0.27927 | 0.16682 |
10 | 0.22073 | 0.86070 | 0.66682 |
11 | 0.77927 | 0.13930 | 0.66682 |
12 | 0.63930 | 0.72073 | 0.16682 |
13 | 0.13930 | 0.22073 | 0.83318 |
14 | 0.27927 | 0.63930 | 0.33318 |
15 | 0.72073 | 0.36070 | 0.33318 |
16 | 0.86070 | 0.77927 | 0.83318 |
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