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 | 0.49490 | 0,0,mz | 0.00000 | 0.00000 | 1.10000 |
(1/3,2/3,2/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.16157 | 0,0,mz | 0.00000 | 0.00000 | 1.10000 |
(2/3,1/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.82823 | 0,0,mz | 0.00000 | 0.00000 | 1.10000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.21750 | 0,0,mz | 0.00000 | 0.00000 | 1.80000 |
(1/3,2/3,2/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.88417 | 0,0,mz | 0.00000 | 0.00000 | 1.80000 |
(2/3,1/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.55083 | 0,0,mz | 0.00000 | 0.00000 | 1.80000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.71600 | 0,0,mz | 0.00000 | 0.00000 | -1.80000 |
(1/3,2/3,2/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.38267 | 0,0,mz | 0.00000 | 0.00000 | -1.80000 |
(2/3,1/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.04933 | 0,0,mz | 0.00000 | 0.00000 | -1.80000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mo2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | 0,0,mz | 0.00000 | 0.00000 | -0.30000 |
(1/3,2/3,2/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.66667 | 0,0,mz | 0.00000 | 0.00000 | -0.30000 |
(2/3,1/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.33333 | 0,0,mz | 0.00000 | 0.00000 | -0.30000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Mo1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.49490 |
(1/3,2/3,2/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.16157 |
(2/3,1/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.82823 |
Set of atoms in the unit cell related by symmetry with the atom Fe2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(1/3,2/3,2/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.66667 |
(2/3,1/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.33333 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.03760 | 0.31980 | 0.09760 |
2 | 0.68020 | 0.71780 | 0.09760 |
3 | 0.28220 | 0.96240 | 0.09760 |
(1/3,2/3,2/3) + set click here to show and hide |
4 | 0.37093 | 0.98647 | 0.76427 |
5 | 0.01353 | 0.38447 | 0.76427 |
6 | 0.61553 | 0.62907 | 0.76427 |
(2/3,1/3,1/3) + set click here to show and hide |
7 | 0.70427 | 0.65313 | 0.43093 |
8 | 0.34687 | 0.05113 | 0.43093 |
9 | 0.94887 | 0.29573 | 0.43093 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.04170 | 0.71640 | 0.59750 |
2 | 0.28360 | 0.32530 | 0.59750 |
3 | 0.67470 | 0.95830 | 0.59750 |
(1/3,2/3,2/3) + set click here to show and hide |
4 | 0.37503 | 0.38307 | 0.26417 |
5 | 0.61693 | 0.99197 | 0.26417 |
6 | 0.00803 | 0.62497 | 0.26417 |
(2/3,1/3,1/3) + set click here to show and hide |
7 | 0.70837 | 0.04973 | 0.93083 |
8 | 0.95027 | 0.65863 | 0.93083 |
9 | 0.34137 | 0.29163 | 0.93083 |
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