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 | 0.16894 | mx,my,mz | 2.31000 | 1.15500 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.83106 | -mx,-my,-mz | -2.31000 | -1.15500 | 0.00000 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.83561 | mx,my,mz | 2.31000 | 1.15500 | 0.00000 |
4 | 0.33333 | 0.66667 | 0.49773 | -mx,-my,-mz | -2.31000 | -1.15500 | 0.00000 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.50227 | mx,my,mz | 2.31000 | 1.15500 | 0.00000 |
6 | 0.66667 | 0.33333 | 0.16439 | -mx,-my,-mz | -2.31000 | -1.15500 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom P1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.57336 |
2 | 0.00000 | 0.00000 | 0.42664 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.24003 |
4 | 0.33333 | 0.66667 | 0.09331 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.90669 |
6 | 0.66667 | 0.33333 | 0.75997 |
Set of atoms in the unit cell related by symmetry with the atom Ba1:
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 | 0.00000 | 0.00000 | 0.63796 |
2 | 0.00000 | 0.00000 | 0.36204 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.30463 |
4 | 0.33333 | 0.66667 | 0.02871 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.97129 |
6 | 0.66667 | 0.33333 | 0.69537 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.34240 | 0.36430 | 0.21847 |
2 | 0.65760 | 0.63570 | 0.78153 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.67573 | 0.03097 | 0.88514 |
4 | 0.99093 | 0.30237 | 0.44820 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.00907 | 0.69763 | 0.55180 |
6 | 0.32427 | 0.96903 | 0.11486 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.63570 | 0.97810 | 0.21847 |
2 | 0.36430 | 0.02190 | 0.78153 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.96903 | 0.64477 | 0.88514 |
4 | 0.69763 | 0.68857 | 0.44820 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.30237 | 0.31143 | 0.55180 |
6 | 0.03097 | 0.35523 | 0.11486 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.02190 | 0.65760 | 0.21847 |
2 | 0.97810 | 0.34240 | 0.78153 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.35523 | 0.32427 | 0.88514 |
4 | 0.31143 | 0.00907 | 0.44820 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.68857 | 0.99093 | 0.55180 |
6 | 0.64477 | 0.67573 | 0.11486 |
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