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 | 0.00000 | mx,-mx,mz | 0.00000 | 0.00000 | 2.59000 |
2 | 0.00000 | 0.50000 | 0.50000 | -mx,mx,mz | 0.00000 | 0.00000 | 2.59000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.00000 | mx,-mx,mz | 0.00000 | 0.00000 | 2.59000 |
4 | 0.50000 | 0.00000 | 0.50000 | -mx,mx,mz | 0.00000 | 0.00000 | 2.59000 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.50000 | 0.00000 | 0.00000 | -mx,mx,-mz | 0.00000 | 0.00000 | -2.59000 |
6 | 0.50000 | 0.50000 | 0.50000 | mx,-mx,-mz | 0.00000 | 0.00000 | -2.59000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.00000 | 0.50000 | 0.00000 | -mx,mx,-mz | 0.00000 | 0.00000 | -2.59000 |
8 | 0.00000 | 0.00000 | 0.50000 | mx,-mx,-mz | 0.00000 | 0.00000 | -2.59000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ca1:
Atom | x | y | z |
1 | 0.16667 | 0.33333 | 0.26650 |
2 | 0.83333 | 0.16667 | 0.76650 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.66667 | 0.83333 | 0.26650 |
4 | 0.33333 | 0.66667 | 0.76650 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.26650 |
6 | 0.33333 | 0.16667 | 0.76650 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.16667 | 0.83333 | 0.26650 |
8 | 0.83333 | 0.66667 | 0.76650 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.33470 |
2 | 0.00000 | 0.50000 | 0.83470 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.33470 |
4 | 0.50000 | 0.00000 | 0.83470 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.50000 | 0.00000 | 0.33470 |
6 | 0.50000 | 0.50000 | 0.83470 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.00000 | 0.50000 | 0.33470 |
8 | 0.00000 | 0.00000 | 0.83470 |
Set of atoms in the unit cell related by symmetry with the atom S1:
Atom | x | y | z |
1 | 0.16667 | 0.33333 | 0.59000 |
2 | 0.83333 | 0.16667 | 0.09000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.66667 | 0.83333 | 0.59000 |
4 | 0.33333 | 0.66667 | 0.09000 |
(1/2,0,0)' + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.59000 |
6 | 0.33333 | 0.16667 | 0.09000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.16667 | 0.83333 | 0.59000 |
8 | 0.83333 | 0.66667 | 0.09000 |
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