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 Ni1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | 2my,my,mz | 2.44000 | 1.22000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.33333 | 2my,my,mz | 2.44000 | 1.22000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.66667 | 2my,my,mz | 2.44000 | 1.22000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.00000 | 0.00000 | 0.50000 | -2my,-my,-mz | -2.44000 | -1.22000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
5 | 0.33333 | 0.66667 | 0.83333 | -2my,-my,-mz | -2.44000 | -1.22000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
6 | 0.66667 | 0.33333 | 0.16667 | -2my,-my,-mz | -2.44000 | -1.22000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Cl1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.12755 |
2 | 0.00000 | 0.00000 | 0.37245 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.46088 |
4 | 0.33333 | 0.66667 | 0.70578 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.79422 |
6 | 0.66667 | 0.33333 | 0.03912 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.62755 |
8 | 0.00000 | 0.00000 | 0.87245 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.96088 |
10 | 0.33333 | 0.66667 | 0.20578 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.29422 |
12 | 0.66667 | 0.33333 | 0.53912 |
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