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 | 0.26360 | 0.25000 | 0.24760 | 0,my,0 | 0.00000 | 3.70000 | 0.00000 |
2 | 0.73640 | 0.75000 | 0.25240 | 0,my,0 | 0.00000 | 3.70000 | 0.00000 |
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3 | 0.26360 | 0.25000 | 0.74760 | 0,-my,0 | 0.00000 | -3.70000 | 0.00000 |
4 | 0.73640 | 0.75000 | 0.75240 | 0,-my,0 | 0.00000 | -3.70000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.88080 | 0.25000 | 0.11165 | 0,my,0 | 0.00000 | -3.50000 | 0.00000 |
2 | 0.11920 | 0.75000 | 0.38835 | 0,my,0 | 0.00000 | -3.50000 | 0.00000 |
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3 | 0.88080 | 0.25000 | 0.61165 | 0,-my,0 | 0.00000 | 3.50000 | 0.00000 |
4 | 0.11920 | 0.75000 | 0.88835 | 0,-my,0 | 0.00000 | 3.50000 | 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 | 0.60030 | 0.25000 | 0.41435 | 0,my,0 | 0.00000 | -3.80000 | 0.00000 |
2 | 0.39970 | 0.75000 | 0.08565 | 0,my,0 | 0.00000 | -3.80000 | 0.00000 |
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3 | 0.60030 | 0.25000 | 0.91435 | 0,-my,0 | 0.00000 | 3.80000 | 0.00000 |
4 | 0.39970 | 0.75000 | 0.58565 | 0,-my,0 | 0.00000 | 3.80000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.26500 | 0.25000 | 0.49055 |
2 | 0.73500 | 0.75000 | 0.00945 |
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3 | 0.26500 | 0.25000 | 0.99055 |
4 | 0.73500 | 0.75000 | 0.50945 |
Set of atoms in the unit cell related by symmetry with the atom Ba2:
Atom | x | y | z |
1 | 0.91670 | 0.25000 | 0.35465 |
2 | 0.08330 | 0.75000 | 0.14535 |
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3 | 0.91670 | 0.25000 | 0.85465 |
4 | 0.08330 | 0.75000 | 0.64535 |
Set of atoms in the unit cell related by symmetry with the atom Ba3:
Atom | x | y | z |
1 | 0.57400 | 0.25000 | 0.17135 |
2 | 0.42600 | 0.75000 | 0.32865 |
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3 | 0.57400 | 0.25000 | 0.67135 |
4 | 0.42600 | 0.75000 | 0.82865 |
Set of atoms in the unit cell related by symmetry with the atom X11:
Atom | x | y | z |
1 | 0.75600 | 0.25000 | 0.00400 |
2 | 0.24400 | 0.75000 | 0.49600 |
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3 | 0.75600 | 0.25000 | 0.50400 |
4 | 0.24400 | 0.75000 | 0.99600 |
Set of atoms in the unit cell related by symmetry with the atom X12:
Atom | x | y | z |
1 | 0.74000 | 0.25000 | 0.01550 |
2 | 0.26000 | 0.75000 | 0.48450 |
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3 | 0.74000 | 0.25000 | 0.51550 |
4 | 0.26000 | 0.75000 | 0.98450 |
Set of atoms in the unit cell related by symmetry with the atom X2:
Atom | x | y | z |
1 | 0.50000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.50000 |
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3 | 0.50000 | 0.00000 | 0.50000 |
4 | 0.50000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom X3:
Atom | x | y | z |
1 | 0.42400 | 0.25000 | 0.33465 |
2 | 0.57600 | 0.75000 | 0.16535 |
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3 | 0.42400 | 0.25000 | 0.83465 |
4 | 0.57600 | 0.75000 | 0.66535 |
Set of atoms in the unit cell related by symmetry with the atom X41:
Atom | x | y | z |
1 | 0.03670 | 0.25000 | 0.06090 |
2 | 0.96330 | 0.75000 | 0.43910 |
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3 | 0.03670 | 0.25000 | 0.56090 |
4 | 0.96330 | 0.75000 | 0.93910 |
Set of atoms in the unit cell related by symmetry with the atom X42:
Atom | x | y | z |
1 | 0.06890 | 0.25000 | 0.12400 |
2 | 0.93110 | 0.75000 | 0.37600 |
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3 | 0.06890 | 0.25000 | 0.62400 |
4 | 0.93110 | 0.75000 | 0.87600 |
Set of atoms in the unit cell related by symmetry with the atom X5:
Atom | x | y | z |
1 | 0.67270 | 0.99650 | 0.33765 |
2 | 0.32730 | 0.49650 | 0.16235 |
3 | 0.32730 | 0.00350 | 0.16235 |
4 | 0.67270 | 0.50350 | 0.33765 |
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5 | 0.67270 | 0.99650 | 0.83765 |
6 | 0.32730 | 0.49650 | 0.66235 |
7 | 0.32730 | 0.00350 | 0.66235 |
8 | 0.67270 | 0.50350 | 0.83765 |
Set of atoms in the unit cell related by symmetry with the atom X6:
Atom | x | y | z |
1 | 0.84250 | 0.98950 | 0.18735 |
2 | 0.15750 | 0.48950 | 0.31265 |
3 | 0.15750 | 0.01050 | 0.31265 |
4 | 0.84250 | 0.51050 | 0.18735 |
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5 | 0.84250 | 0.98950 | 0.68735 |
6 | 0.15750 | 0.48950 | 0.81265 |
7 | 0.15750 | 0.01050 | 0.81265 |
8 | 0.84250 | 0.51050 | 0.68735 |
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