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_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.24635 | 0.00100 | 0.17675 | mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
2 | 0.00365 | 0.75100 | 0.42675 | mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.24635 | 0.50100 | 0.67675 | mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
4 | 0.00365 | 0.25100 | 0.92675 | mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.74635 | 0.00100 | 0.67675 | mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
6 | 0.50365 | 0.75100 | 0.92675 | mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.74635 | 0.50100 | 0.17675 | mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
8 | 0.50365 | 0.25100 | 0.42675 | mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.24635 | 0.50100 | 0.17675 | -mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
10 | 0.00365 | 0.25100 | 0.42675 | -mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.24635 | 0.00100 | 0.67675 | -mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
12 | 0.00365 | 0.75100 | 0.92675 | -mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.74635 | 0.50100 | 0.67675 | -mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
14 | 0.50365 | 0.25100 | 0.92675 | -mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.74635 | 0.00100 | 0.17675 | -mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
16 | 0.50365 | 0.75100 | 0.42675 | -mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00365 | 0.99900 | 0.42675 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
2 | 0.24635 | 0.74900 | 0.67675 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00365 | 0.49900 | 0.92675 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
4 | 0.24635 | 0.24900 | 0.17675 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50365 | 0.99900 | 0.92675 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
6 | 0.74635 | 0.74900 | 0.17675 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50365 | 0.49900 | 0.42675 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
8 | 0.74635 | 0.24900 | 0.67675 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.00365 | 0.49900 | 0.42675 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
10 | 0.24635 | 0.24900 | 0.67675 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.00365 | 0.99900 | 0.92675 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
12 | 0.24635 | 0.74900 | 0.17675 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.50365 | 0.49900 | 0.92675 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
14 | 0.74635 | 0.24900 | 0.17675 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.50365 | 0.99900 | 0.42675 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
16 | 0.74635 | 0.74900 | 0.67675 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.75365 | 0.25100 | 0.82325 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
2 | 0.49635 | 0.00100 | 0.07325 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.75365 | 0.75100 | 0.32325 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
4 | 0.49635 | 0.50100 | 0.57325 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.25365 | 0.25100 | 0.32325 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
6 | 0.99635 | 0.00100 | 0.57325 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.25365 | 0.75100 | 0.82325 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
8 | 0.99635 | 0.50100 | 0.07325 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.75365 | 0.75100 | 0.82325 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
10 | 0.49635 | 0.50100 | 0.07325 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.75365 | 0.25100 | 0.32325 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
12 | 0.49635 | 0.00100 | 0.57325 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.25365 | 0.75100 | 0.32325 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
14 | 0.99635 | 0.50100 | 0.57325 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.25365 | 0.25100 | 0.82325 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
16 | 0.99635 | 0.00100 | 0.07325 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_4:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.49635 | 0.24900 | 0.07325 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
2 | 0.75365 | 0.99900 | 0.32325 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.49635 | 0.74900 | 0.57325 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
4 | 0.75365 | 0.49900 | 0.82325 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.99635 | 0.24900 | 0.57325 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
6 | 0.25365 | 0.99900 | 0.82325 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.99635 | 0.74900 | 0.07325 | mx,my,mz | -2.80000 | 0.00000 | 0.00000 |
8 | 0.25365 | 0.49900 | 0.32325 | mx,-my,-mz | -2.80000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.49635 | 0.74900 | 0.07325 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
10 | 0.75365 | 0.49900 | 0.32325 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.49635 | 0.24900 | 0.57325 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
12 | 0.75365 | 0.99900 | 0.82325 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.99635 | 0.74900 | 0.57325 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
14 | 0.25365 | 0.49900 | 0.82325 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.99635 | 0.24900 | 0.07325 | -mx,-my,-mz | 2.80000 | 0.00000 | 0.00000 |
16 | 0.25365 | 0.99900 | 0.32325 | -mx,my,mz | 2.80000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1_1:
Atom | x | y | z |
1 | 0.09300 | 0.12500 | 0.25850 |
2 | 0.15700 | 0.87500 | 0.50850 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.09300 | 0.62500 | 0.75850 |
4 | 0.15700 | 0.37500 | 0.00850 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.59300 | 0.12500 | 0.75850 |
6 | 0.65700 | 0.87500 | 0.00850 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.59300 | 0.62500 | 0.25850 |
8 | 0.65700 | 0.37500 | 0.50850 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.09300 | 0.62500 | 0.25850 |
10 | 0.15700 | 0.37500 | 0.50850 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.09300 | 0.12500 | 0.75850 |
12 | 0.15700 | 0.87500 | 0.00850 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.59300 | 0.62500 | 0.75850 |
14 | 0.65700 | 0.37500 | 0.00850 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.59300 | 0.12500 | 0.25850 |
16 | 0.65700 | 0.87500 | 0.50850 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_2:
Atom | x | y | z |
1 | 0.90700 | 0.37500 | 0.74150 |
2 | 0.34300 | 0.12500 | 0.99150 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.90700 | 0.87500 | 0.24150 |
4 | 0.34300 | 0.62500 | 0.49150 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.40700 | 0.37500 | 0.24150 |
6 | 0.84300 | 0.12500 | 0.49150 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.40700 | 0.87500 | 0.74150 |
8 | 0.84300 | 0.62500 | 0.99150 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.90700 | 0.87500 | 0.74150 |
10 | 0.34300 | 0.62500 | 0.99150 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.90700 | 0.37500 | 0.24150 |
12 | 0.34300 | 0.12500 | 0.49150 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.40700 | 0.87500 | 0.24150 |
14 | 0.84300 | 0.62500 | 0.49150 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.40700 | 0.37500 | 0.74150 |
16 | 0.84300 | 0.12500 | 0.99150 |
Set of atoms in the unit cell related by symmetry with the atom Se1_1:
Atom | x | y | z |
1 | 0.17750 | 0.12500 | 0.11650 |
2 | 0.07250 | 0.87500 | 0.36650 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.17750 | 0.62500 | 0.61650 |
4 | 0.07250 | 0.37500 | 0.86650 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.67750 | 0.12500 | 0.61650 |
6 | 0.57250 | 0.87500 | 0.86650 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.67750 | 0.62500 | 0.11650 |
8 | 0.57250 | 0.37500 | 0.36650 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.17750 | 0.62500 | 0.11650 |
10 | 0.07250 | 0.37500 | 0.36650 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.17750 | 0.12500 | 0.61650 |
12 | 0.07250 | 0.87500 | 0.86650 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.67750 | 0.62500 | 0.61650 |
14 | 0.57250 | 0.37500 | 0.86650 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.67750 | 0.12500 | 0.11650 |
16 | 0.57250 | 0.87500 | 0.36650 |
Set of atoms in the unit cell related by symmetry with the atom Se1_2:
Atom | x | y | z |
1 | 0.82250 | 0.37500 | 0.88350 |
2 | 0.42750 | 0.12500 | 0.13350 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.82250 | 0.87500 | 0.38350 |
4 | 0.42750 | 0.62500 | 0.63350 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.32250 | 0.37500 | 0.38350 |
6 | 0.92750 | 0.12500 | 0.63350 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.32250 | 0.87500 | 0.88350 |
8 | 0.92750 | 0.62500 | 0.13350 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.82250 | 0.87500 | 0.88350 |
10 | 0.42750 | 0.62500 | 0.13350 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.82250 | 0.37500 | 0.38350 |
12 | 0.42750 | 0.12500 | 0.63350 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.32250 | 0.87500 | 0.38350 |
14 | 0.92750 | 0.62500 | 0.63350 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.32250 | 0.37500 | 0.88350 |
16 | 0.92750 | 0.12500 | 0.13350 |
Set of atoms in the unit cell related by symmetry with the atom Se2_1:
Atom | x | y | z |
1 | 0.31450 | 0.12500 | 0.24500 |
2 | 0.93550 | 0.87500 | 0.49500 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.31450 | 0.62500 | 0.74500 |
4 | 0.93550 | 0.37500 | 0.99500 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.81450 | 0.12500 | 0.74500 |
6 | 0.43550 | 0.87500 | 0.99500 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.81450 | 0.62500 | 0.24500 |
8 | 0.43550 | 0.37500 | 0.49500 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.31450 | 0.62500 | 0.24500 |
10 | 0.93550 | 0.37500 | 0.49500 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.31450 | 0.12500 | 0.74500 |
12 | 0.93550 | 0.87500 | 0.99500 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.81450 | 0.62500 | 0.74500 |
14 | 0.43550 | 0.37500 | 0.99500 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.81450 | 0.12500 | 0.24500 |
16 | 0.43550 | 0.87500 | 0.49500 |
Set of atoms in the unit cell related by symmetry with the atom Se2_2:
Atom | x | y | z |
1 | 0.68550 | 0.37500 | 0.75500 |
2 | 0.56450 | 0.12500 | 0.00500 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.68550 | 0.87500 | 0.25500 |
4 | 0.56450 | 0.62500 | 0.50500 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.18550 | 0.37500 | 0.25500 |
6 | 0.06450 | 0.12500 | 0.50500 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.18550 | 0.87500 | 0.75500 |
8 | 0.06450 | 0.62500 | 0.00500 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.68550 | 0.87500 | 0.75500 |
10 | 0.56450 | 0.62500 | 0.00500 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.68550 | 0.37500 | 0.25500 |
12 | 0.56450 | 0.12500 | 0.50500 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.18550 | 0.87500 | 0.25500 |
14 | 0.06450 | 0.62500 | 0.50500 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.18550 | 0.37500 | 0.75500 |
16 | 0.06450 | 0.12500 | 0.00500 |
Set of atoms in the unit cell related by symmetry with the atom Se3_1:
Atom | x | y | z |
1 | 0.20100 | 0.12500 | 0.40900 |
2 | 0.04900 | 0.87500 | 0.65900 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.20100 | 0.62500 | 0.90900 |
4 | 0.04900 | 0.37500 | 0.15900 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.70100 | 0.12500 | 0.90900 |
6 | 0.54900 | 0.87500 | 0.15900 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.70100 | 0.62500 | 0.40900 |
8 | 0.54900 | 0.37500 | 0.65900 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.20100 | 0.62500 | 0.40900 |
10 | 0.04900 | 0.37500 | 0.65900 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.20100 | 0.12500 | 0.90900 |
12 | 0.04900 | 0.87500 | 0.15900 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.70100 | 0.62500 | 0.90900 |
14 | 0.54900 | 0.37500 | 0.15900 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.70100 | 0.12500 | 0.40900 |
16 | 0.54900 | 0.87500 | 0.65900 |
Set of atoms in the unit cell related by symmetry with the atom Se3_2:
Atom | x | y | z |
1 | 0.79900 | 0.37500 | 0.59100 |
2 | 0.45100 | 0.12500 | 0.84100 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.79900 | 0.87500 | 0.09100 |
4 | 0.45100 | 0.62500 | 0.34100 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.29900 | 0.37500 | 0.09100 |
6 | 0.95100 | 0.12500 | 0.34100 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.29900 | 0.87500 | 0.59100 |
8 | 0.95100 | 0.62500 | 0.84100 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.79900 | 0.87500 | 0.59100 |
10 | 0.45100 | 0.62500 | 0.84100 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.79900 | 0.37500 | 0.09100 |
12 | 0.45100 | 0.12500 | 0.34100 |
(1/2,1/2,1/2)' + set click here to show and hide |
13 | 0.29900 | 0.87500 | 0.09100 |
14 | 0.95100 | 0.62500 | 0.34100 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.29900 | 0.37500 | 0.59100 |
16 | 0.95100 | 0.12500 | 0.84100 |
[Hide]