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 | 0.08482 | mx,my,mz | 1.55000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.91518 | mx,my,mz | 1.55000 | 0.00000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.41815 | mx,my,mz | 1.55000 | 0.00000 | 0.00000 |
4 | 0.33333 | 0.66667 | 0.24851 | mx,my,mz | 1.55000 | 0.00000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.75149 | mx,my,mz | 1.55000 | 0.00000 | 0.00000 |
6 | 0.66667 | 0.33333 | 0.58185 | mx,my,mz | 1.55000 | 0.00000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.25149 | -mx,-my,-mz | -1.55000 | 0.00000 | 0.00000 |
8 | 0.66667 | 0.33333 | 0.08185 | -mx,-my,-mz | -1.55000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.00000 | 0.58482 | -mx,-my,-mz | -1.55000 | 0.00000 | 0.00000 |
10 | 0.00000 | 0.00000 | 0.41518 | -mx,-my,-mz | -1.55000 | 0.00000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
11 | 0.33333 | 0.66667 | 0.91815 | -mx,-my,-mz | -1.55000 | 0.00000 | 0.00000 |
12 | 0.33333 | 0.66667 | 0.74851 | -mx,-my,-mz | -1.55000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
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 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.33333 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.66667 |
(2/3,1/3,1/6)' + set click here to show and hide |
4 | 0.66667 | 0.33333 | 0.16667 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.50000 |
(1/3,2/3,5/6)' + set click here to show and hide |
6 | 0.33333 | 0.66667 | 0.83333 |
Set of atoms in the unit cell related by symmetry with the atom V1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.21229 |
2 | 0.00000 | 0.00000 | 0.78771 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.54562 |
4 | 0.33333 | 0.66667 | 0.12104 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.87896 |
6 | 0.66667 | 0.33333 | 0.45438 |
(2/3,1/3,1/6)' + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.37896 |
8 | 0.66667 | 0.33333 | 0.95438 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.00000 | 0.71229 |
10 | 0.00000 | 0.00000 | 0.28771 |
(1/3,2/3,5/6)' + set click here to show and hide |
11 | 0.33333 | 0.66667 | 0.04562 |
12 | 0.33333 | 0.66667 | 0.62104 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.17458 |
2 | 0.00000 | 0.00000 | 0.82542 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.50791 |
4 | 0.33333 | 0.66667 | 0.15875 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.84125 |
6 | 0.66667 | 0.33333 | 0.49209 |
(2/3,1/3,1/6)' + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.34125 |
8 | 0.66667 | 0.33333 | 0.99209 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.00000 | 0.67458 |
10 | 0.00000 | 0.00000 | 0.32542 |
(1/3,2/3,5/6)' + set click here to show and hide |
11 | 0.33333 | 0.66667 | 0.00791 |
12 | 0.33333 | 0.66667 | 0.65875 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.65980 | 0.00600 | 0.10984 |
2 | 0.34020 | 0.99400 | 0.89016 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.99313 | 0.67267 | 0.44317 |
4 | 0.67353 | 0.66067 | 0.22349 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.32647 | 0.33933 | 0.77651 |
6 | 0.00687 | 0.32733 | 0.55683 |
(2/3,1/3,1/6)' + set click here to show and hide |
7 | 0.32647 | 0.33933 | 0.27651 |
8 | 0.00687 | 0.32733 | 0.05683 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.65980 | 0.00600 | 0.60984 |
10 | 0.34020 | 0.99400 | 0.39016 |
(1/3,2/3,5/6)' + set click here to show and hide |
11 | 0.99313 | 0.67267 | 0.94317 |
12 | 0.67353 | 0.66067 | 0.72349 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.99400 | 0.65380 | 0.10984 |
2 | 0.00600 | 0.34620 | 0.89016 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.32733 | 0.32047 | 0.44317 |
4 | 0.33933 | 0.01287 | 0.22349 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66067 | 0.98713 | 0.77651 |
6 | 0.67267 | 0.67953 | 0.55683 |
(2/3,1/3,1/6)' + set click here to show and hide |
7 | 0.66067 | 0.98713 | 0.27651 |
8 | 0.67267 | 0.67953 | 0.05683 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.99400 | 0.65380 | 0.60984 |
10 | 0.00600 | 0.34620 | 0.39016 |
(1/3,2/3,5/6)' + set click here to show and hide |
11 | 0.32733 | 0.32047 | 0.94317 |
12 | 0.33933 | 0.01287 | 0.72349 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.34620 | 0.34020 | 0.10984 |
2 | 0.65380 | 0.65980 | 0.89016 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.67953 | 0.00687 | 0.44317 |
4 | 0.98713 | 0.32647 | 0.22349 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.01287 | 0.67353 | 0.77651 |
6 | 0.32047 | 0.99313 | 0.55683 |
(2/3,1/3,1/6)' + set click here to show and hide |
7 | 0.01287 | 0.67353 | 0.27651 |
8 | 0.32047 | 0.99313 | 0.05683 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.34620 | 0.34020 | 0.60984 |
10 | 0.65380 | 0.65980 | 0.39016 |
(1/3,2/3,5/6)' + set click here to show and hide |
11 | 0.67953 | 0.00687 | 0.94317 |
12 | 0.98713 | 0.32647 | 0.72349 |
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