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 | 0.16450 | 0.50100 | 0.01320 | mx,my,mz | 3.83000 | 0.00000 | 0.00000 |
2 | 0.83550 | 0.50100 | 0.48680 | -mx,my,-mz | -3.83000 | 0.00000 | 0.00000 |
3 | 0.83550 | 0.49900 | 0.98680 | -mx,-my,-mz | -3.83000 | 0.00000 | 0.00000 |
4 | 0.16450 | 0.49900 | 0.51320 | mx,-my,mz | 3.83000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.66450 | 0.00100 | 0.01320 | mx,my,mz | 3.83000 | 0.00000 | 0.00000 |
6 | 0.33550 | 0.00100 | 0.48680 | -mx,my,-mz | -3.83000 | 0.00000 | 0.00000 |
7 | 0.33550 | 0.99900 | 0.98680 | -mx,-my,-mz | -3.83000 | 0.00000 | 0.00000 |
8 | 0.66450 | 0.99900 | 0.51320 | mx,-my,mz | 3.83000 | 0.00000 | 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 | 0.17220 | 0.50500 | 0.30660 | mx,my,mz | 3.83000 | 0.00000 | 0.00000 |
2 | 0.82780 | 0.50500 | 0.19340 | -mx,my,-mz | -3.83000 | 0.00000 | 0.00000 |
3 | 0.82780 | 0.49500 | 0.69340 | -mx,-my,-mz | -3.83000 | 0.00000 | 0.00000 |
4 | 0.17220 | 0.49500 | 0.80660 | mx,-my,mz | 3.83000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.67220 | 0.00500 | 0.30660 | mx,my,mz | 3.83000 | 0.00000 | 0.00000 |
6 | 0.32780 | 0.00500 | 0.19340 | -mx,my,-mz | -3.83000 | 0.00000 | 0.00000 |
7 | 0.32780 | 0.99500 | 0.69340 | -mx,-my,-mz | -3.83000 | 0.00000 | 0.00000 |
8 | 0.67220 | 0.99500 | 0.80660 | mx,-my,mz | 3.83000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Nb1:
Atom | x | y | z |
1 | 0.99930 | 0.00000 | 0.14210 |
2 | 0.00070 | 0.00000 | 0.35790 |
3 | 0.00070 | 0.00000 | 0.85790 |
4 | 0.99930 | 0.00000 | 0.64210 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.49930 | 0.50000 | 0.14210 |
6 | 0.50070 | 0.50000 | 0.35790 |
7 | 0.50070 | 0.50000 | 0.85790 |
8 | 0.49930 | 0.50000 | 0.64210 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.16980 | 0.85000 | 0.08400 |
2 | 0.83020 | 0.85000 | 0.41600 |
3 | 0.83020 | 0.15000 | 0.91600 |
4 | 0.16980 | 0.15000 | 0.58400 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.66980 | 0.35000 | 0.08400 |
6 | 0.33020 | 0.35000 | 0.41600 |
7 | 0.33020 | 0.65000 | 0.91600 |
8 | 0.66980 | 0.65000 | 0.58400 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.34620 | 0.31920 | 0.08700 |
2 | 0.65380 | 0.31920 | 0.41300 |
3 | 0.65380 | 0.68080 | 0.91300 |
4 | 0.34620 | 0.68080 | 0.58700 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.84620 | 0.81920 | 0.08700 |
6 | 0.15380 | 0.81920 | 0.41300 |
7 | 0.15380 | 0.18080 | 0.91300 |
8 | 0.84620 | 0.18080 | 0.58700 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.49510 | 0.82500 | 0.08500 |
2 | 0.50490 | 0.82500 | 0.41500 |
3 | 0.50490 | 0.17500 | 0.91500 |
4 | 0.49510 | 0.17500 | 0.58500 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.99510 | 0.32500 | 0.08500 |
6 | 0.00490 | 0.32500 | 0.41500 |
7 | 0.00490 | 0.67500 | 0.91500 |
8 | 0.99510 | 0.67500 | 0.58500 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.00000 | 0.72000 | 0.25000 |
2 | 0.00000 | 0.28000 | 0.75000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.22000 | 0.25000 |
4 | 0.50000 | 0.78000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.13650 | 0.14500 | 0.25000 |
2 | 0.86350 | 0.14500 | 0.25000 |
3 | 0.86350 | 0.85500 | 0.75000 |
4 | 0.13650 | 0.85500 | 0.75000 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.63650 | 0.64500 | 0.25000 |
6 | 0.36350 | 0.64500 | 0.25000 |
7 | 0.36350 | 0.35500 | 0.75000 |
8 | 0.63650 | 0.35500 | 0.75000 |
[Hide]