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 | 0.87829 | 0.99440 | 0.62555 | mx,my,mz | 0.00000 | 4.10000 | 0.00000 |
2 | 0.87829 | 0.00560 | 0.12555 | -mx,my,-mz | 0.00000 | 4.10000 | 0.00000 |
3 | 0.12171 | 0.99440 | 0.87445 | mx,-my,mz | 0.00000 | -4.10000 | 0.00000 |
4 | 0.12171 | 0.00560 | 0.37445 | -mx,-my,-mz | 0.00000 | -4.10000 | 0.00000 |
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5 | 0.37829 | 0.49440 | 0.12555 | mx,my,mz | 0.00000 | 4.10000 | 0.00000 |
6 | 0.37829 | 0.50560 | 0.62555 | -mx,my,-mz | 0.00000 | 4.10000 | 0.00000 |
7 | 0.62171 | 0.49440 | 0.37445 | mx,-my,mz | 0.00000 | -4.10000 | 0.00000 |
8 | 0.62171 | 0.50560 | 0.87445 | -mx,-my,-mz | 0.00000 | -4.10000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Cs1:
Atom | x | y | z |
1 | 0.97129 | 0.52178 | 0.87490 |
2 | 0.97129 | 0.47822 | 0.37490 |
3 | 0.02871 | 0.52178 | 0.62510 |
4 | 0.02871 | 0.47822 | 0.12510 |
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5 | 0.47129 | 0.02178 | 0.37490 |
6 | 0.47129 | 0.97822 | 0.87490 |
7 | 0.52871 | 0.02178 | 0.12510 |
8 | 0.52871 | 0.97822 | 0.62510 |
Set of atoms in the unit cell related by symmetry with the atom Cs2:
Atom | x | y | z |
1 | 0.74368 | 0.48920 | 0.12376 |
2 | 0.74368 | 0.51080 | 0.62376 |
3 | 0.25632 | 0.48920 | 0.37624 |
4 | 0.25632 | 0.51080 | 0.87624 |
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5 | 0.24368 | 0.98920 | 0.62376 |
6 | 0.24368 | 0.01080 | 0.12376 |
7 | 0.75632 | 0.98920 | 0.87624 |
8 | 0.75632 | 0.01080 | 0.37624 |
Set of atoms in the unit cell related by symmetry with the atom Cl1:
Atom | x | y | z |
1 | 0.74489 | 0.00500 | 0.62404 |
2 | 0.74489 | 0.99500 | 0.12404 |
3 | 0.25511 | 0.00500 | 0.87596 |
4 | 0.25511 | 0.99500 | 0.37596 |
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5 | 0.24489 | 0.50500 | 0.12404 |
6 | 0.24489 | 0.49500 | 0.62404 |
7 | 0.75511 | 0.50500 | 0.37596 |
8 | 0.75511 | 0.49500 | 0.87596 |
Set of atoms in the unit cell related by symmetry with the atom Cl2:
Atom | x | y | z |
1 | 0.88362 | 0.76840 | 0.72527 |
2 | 0.88362 | 0.23160 | 0.22527 |
3 | 0.11638 | 0.76840 | 0.77473 |
4 | 0.11638 | 0.23160 | 0.27473 |
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5 | 0.38362 | 0.26840 | 0.22527 |
6 | 0.38362 | 0.73160 | 0.72527 |
7 | 0.61638 | 0.26840 | 0.27473 |
8 | 0.61638 | 0.73160 | 0.77473 |
Set of atoms in the unit cell related by symmetry with the atom Cl3:
Atom | x | y | z |
1 | 0.89160 | 0.21960 | 0.73514 |
2 | 0.89160 | 0.78040 | 0.23514 |
3 | 0.10840 | 0.21960 | 0.76486 |
4 | 0.10840 | 0.78040 | 0.26486 |
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5 | 0.39160 | 0.71960 | 0.23514 |
6 | 0.39160 | 0.28040 | 0.73514 |
7 | 0.60840 | 0.71960 | 0.26486 |
8 | 0.60840 | 0.28040 | 0.76486 |
Set of atoms in the unit cell related by symmetry with the atom Cl4:
Atom | x | y | z |
1 | 0.88791 | 0.24189 | 0.52765 |
2 | 0.88791 | 0.75811 | 0.02765 |
3 | 0.11209 | 0.24189 | 0.97235 |
4 | 0.11209 | 0.75811 | 0.47235 |
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5 | 0.38791 | 0.74189 | 0.02765 |
6 | 0.38791 | 0.25811 | 0.52765 |
7 | 0.61209 | 0.74189 | 0.47235 |
8 | 0.61209 | 0.25811 | 0.97235 |
Set of atoms in the unit cell related by symmetry with the atom Cl5:
Atom | x | y | z |
1 | 0.89092 | 0.78975 | 0.51407 |
2 | 0.89092 | 0.21025 | 0.01407 |
3 | 0.10908 | 0.78975 | 0.98593 |
4 | 0.10908 | 0.21025 | 0.48593 |
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5 | 0.39092 | 0.28975 | 0.01407 |
6 | 0.39092 | 0.71025 | 0.51407 |
7 | 0.60908 | 0.28975 | 0.48593 |
8 | 0.60908 | 0.71025 | 0.98593 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00535 | 0.98700 | 0.62540 |
2 | 0.00535 | 0.01300 | 0.12540 |
3 | 0.99465 | 0.98700 | 0.87460 |
4 | 0.99465 | 0.01300 | 0.37460 |
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5 | 0.50535 | 0.48700 | 0.12540 |
6 | 0.50535 | 0.51300 | 0.62540 |
7 | 0.49465 | 0.48700 | 0.37460 |
8 | 0.49465 | 0.51300 | 0.87460 |
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