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 | 0.00000 | 0.00000 | 0.50000 | mx,my,mz | 1.73000 | -2.73000 | 1.36000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.50000 | 0.50000 | 0.50000 | mx,my,mz | 1.73000 | -2.73000 | 1.36000 |
(1/2,0,0)' + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.50000 | -mx,-my,-mz | -1.73000 | 2.73000 | -1.36000 |
(0,1/2,0)' + set click here to show and hide |
4 | 0.00000 | 0.50000 | 0.50000 | -mx,-my,-mz | -1.73000 | 2.73000 | -1.36000 |
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 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | -1.73000 | 2.73000 | -1.36000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.50000 | 0.50000 | 0.00000 | mx,my,mz | -1.73000 | 2.73000 | -1.36000 |
(1/2,0,0)' + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,-mz | 1.73000 | -2.73000 | 1.36000 |
(0,1/2,0)' + set click here to show and hide |
4 | 0.00000 | 0.50000 | 0.00000 | -mx,-my,-mz | 1.73000 | -2.73000 | 1.36000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Li1:
Atom | x | y | z |
1 | 0.13500 | 0.31700 | 0.75700 |
2 | 0.86500 | 0.68300 | 0.24300 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.63500 | 0.81700 | 0.75700 |
4 | 0.36500 | 0.18300 | 0.24300 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.63500 | 0.31700 | 0.75700 |
6 | 0.36500 | 0.68300 | 0.24300 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.13500 | 0.81700 | 0.75700 |
8 | 0.86500 | 0.18300 | 0.24300 |
Set of atoms in the unit cell related by symmetry with the atom S1:
Atom | x | y | z |
1 | 0.16220 | 0.31905 | 0.24950 |
2 | 0.83780 | 0.68095 | 0.75050 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.66220 | 0.81905 | 0.24950 |
4 | 0.33780 | 0.18095 | 0.75050 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.66220 | 0.31905 | 0.24950 |
6 | 0.33780 | 0.68095 | 0.75050 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.16220 | 0.81905 | 0.24950 |
8 | 0.83780 | 0.18095 | 0.75050 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.29880 | 0.37345 | 0.41190 |
2 | 0.70120 | 0.62655 | 0.58810 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.79880 | 0.87345 | 0.41190 |
4 | 0.20120 | 0.12655 | 0.58810 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.79880 | 0.37345 | 0.41190 |
6 | 0.20120 | 0.62655 | 0.58810 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.29880 | 0.87345 | 0.41190 |
8 | 0.70120 | 0.12655 | 0.58810 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.05315 | 0.32035 | 0.34480 |
2 | 0.94685 | 0.67965 | 0.65520 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.55315 | 0.82035 | 0.34480 |
4 | 0.44685 | 0.17965 | 0.65520 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.55315 | 0.32035 | 0.34480 |
6 | 0.44685 | 0.67965 | 0.65520 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.05315 | 0.82035 | 0.34480 |
8 | 0.94685 | 0.17965 | 0.65520 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.15990 | 0.17820 | 0.14580 |
2 | 0.84010 | 0.82180 | 0.85420 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.65990 | 0.67820 | 0.14580 |
4 | 0.34010 | 0.32180 | 0.85420 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.65990 | 0.17820 | 0.14580 |
6 | 0.34010 | 0.82180 | 0.85420 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.15990 | 0.67820 | 0.14580 |
8 | 0.84010 | 0.32180 | 0.85420 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.13950 | 0.38540 | 0.10160 |
2 | 0.86050 | 0.61460 | 0.89840 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.63950 | 0.88540 | 0.10160 |
4 | 0.36050 | 0.11460 | 0.89840 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.63950 | 0.38540 | 0.10160 |
6 | 0.36050 | 0.61460 | 0.89840 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.13950 | 0.88540 | 0.10160 |
8 | 0.86050 | 0.11460 | 0.89840 |
Set of atoms in the unit cell related by symmetry with the atom F1:
Atom | x | y | z |
1 | 0.06295 | 0.45720 | 0.75520 |
2 | 0.93705 | 0.54280 | 0.24480 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.56295 | 0.95720 | 0.75520 |
4 | 0.43705 | 0.04280 | 0.24480 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.56295 | 0.45720 | 0.75520 |
6 | 0.43705 | 0.54280 | 0.24480 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.06295 | 0.95720 | 0.75520 |
8 | 0.93705 | 0.04280 | 0.24480 |
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