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 Ru1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.32320 | mx,my,mz | -0.30000 | 0.04000 | 0.66000 |
2 | 0.00000 | 0.50000 | 0.67680 | mx,my,mz | -0.30000 | 0.04000 | 0.66000 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.98987 | mx,my,mz | -0.30000 | 0.04000 | 0.66000 |
4 | 0.33333 | 0.83333 | 0.34347 | mx,my,mz | -0.30000 | 0.04000 | 0.66000 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.65653 | mx,my,mz | -0.30000 | 0.04000 | 0.66000 |
6 | 0.66667 | 0.16667 | 0.01013 | mx,my,mz | -0.30000 | 0.04000 | 0.66000 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.66667 | 0.16667 | 0.65653 | -mx,-my,-mz | 0.30000 | -0.04000 | -0.66000 |
8 | 0.66667 | 0.66667 | 0.01013 | -mx,-my,-mz | 0.30000 | -0.04000 | -0.66000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.00000 | 0.50000 | 0.32320 | -mx,-my,-mz | 0.30000 | -0.04000 | -0.66000 |
10 | 0.00000 | 0.00000 | 0.67680 | -mx,-my,-mz | 0.30000 | -0.04000 | -0.66000 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.33333 | 0.83333 | 0.98987 | -mx,-my,-mz | 0.30000 | -0.04000 | -0.66000 |
12 | 0.33333 | 0.33333 | 0.34347 | -mx,-my,-mz | 0.30000 | -0.04000 | -0.66000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Br1_1:
Atom | x | y | z |
1 | 0.32940 | 0.49190 | 0.07810 |
2 | 0.67060 | 0.00810 | 0.92190 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.66273 | 0.82523 | 0.74477 |
4 | 0.00393 | 0.34143 | 0.58857 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.99607 | 0.15857 | 0.41143 |
6 | 0.33727 | 0.67477 | 0.25523 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.99607 | 0.65857 | 0.41143 |
8 | 0.33727 | 0.17477 | 0.25523 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.32940 | 0.99190 | 0.07810 |
10 | 0.67060 | 0.50810 | 0.92190 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.66273 | 0.32523 | 0.74477 |
12 | 0.00393 | 0.84143 | 0.58857 |
Set of atoms in the unit cell related by symmetry with the atom Br1_2:
Atom | x | y | z |
1 | 0.01620 | 0.67280 | 0.07810 |
2 | 0.98380 | 0.82720 | 0.92190 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.34953 | 0.00613 | 0.74477 |
4 | 0.31713 | 0.16053 | 0.58857 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.68287 | 0.33947 | 0.41143 |
6 | 0.65047 | 0.49387 | 0.25523 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.68287 | 0.83947 | 0.41143 |
8 | 0.65047 | 0.99387 | 0.25523 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.01620 | 0.17280 | 0.07810 |
10 | 0.98380 | 0.32720 | 0.92190 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.34953 | 0.50613 | 0.74477 |
12 | 0.31713 | 0.66053 | 0.58857 |
Set of atoms in the unit cell related by symmetry with the atom Br1_3:
Atom | x | y | z |
1 | 0.65440 | 0.83530 | 0.07810 |
2 | 0.34560 | 0.66470 | 0.92190 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.98773 | 0.16863 | 0.74477 |
4 | 0.67893 | 0.99803 | 0.58857 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.32107 | 0.50197 | 0.41143 |
6 | 0.01227 | 0.33137 | 0.25523 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.32107 | 0.00197 | 0.41143 |
8 | 0.01227 | 0.83137 | 0.25523 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.65440 | 0.33530 | 0.07810 |
10 | 0.34560 | 0.16470 | 0.92190 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.98773 | 0.66863 | 0.74477 |
12 | 0.67893 | 0.49803 | 0.58857 |
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