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 Co1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | 3.05000 | 3.01000 | 1.20000 |
(1/4,3/4,1/2) + set click here to show and hide |
2 | 0.25000 | 0.75000 | 0.50000 | mx,my,mz | 3.05000 | 3.01000 | 1.20000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.00000 | mx,my,mz | 3.05000 | 3.01000 | 1.20000 |
(3/4,1/4,1/2) + set click here to show and hide |
4 | 0.75000 | 0.25000 | 0.50000 | mx,my,mz | 3.05000 | 3.01000 | 1.20000 |
(3/4,3/4,1/2)' + set click here to show and hide |
5 | 0.75000 | 0.75000 | 0.50000 | -mx,-my,-mz | -3.05000 | -3.01000 | -1.20000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.50000 | 0.00000 | -mx,-my,-mz | -3.05000 | -3.01000 | -1.20000 |
(1/4,1/4,1/2)' + set click here to show and hide |
7 | 0.25000 | 0.25000 | 0.50000 | -mx,-my,-mz | -3.05000 | -3.01000 | -1.20000 |
(1/2,0,0)' + set click here to show and hide |
8 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,-mz | -3.05000 | -3.01000 | -1.20000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Cu1:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.25050 |
2 | 0.75000 | 0.00000 | 0.74950 |
(1/4,3/4,1/2) + set click here to show and hide |
3 | 0.50000 | 0.75000 | 0.75050 |
4 | 0.00000 | 0.75000 | 0.24950 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.75000 | 0.50000 | 0.25050 |
6 | 0.25000 | 0.50000 | 0.74950 |
(3/4,1/4,1/2) + set click here to show and hide |
7 | 0.00000 | 0.25000 | 0.75050 |
8 | 0.50000 | 0.25000 | 0.24950 |
(3/4,3/4,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.75000 | 0.75050 |
10 | 0.50000 | 0.75000 | 0.24950 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.25000 | 0.50000 | 0.25050 |
12 | 0.75000 | 0.50000 | 0.74950 |
(1/4,1/4,1/2)' + set click here to show and hide |
13 | 0.50000 | 0.25000 | 0.75050 |
14 | 0.00000 | 0.25000 | 0.24950 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.75000 | 0.00000 | 0.25050 |
16 | 0.25000 | 0.00000 | 0.74950 |
Set of atoms in the unit cell related by symmetry with the atom S1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.17810 |
2 | 0.00000 | 0.00000 | 0.82190 |
(1/4,3/4,1/2) + set click here to show and hide |
3 | 0.25000 | 0.75000 | 0.67810 |
4 | 0.25000 | 0.75000 | 0.32190 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.17810 |
6 | 0.50000 | 0.50000 | 0.82190 |
(3/4,1/4,1/2) + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.67810 |
8 | 0.75000 | 0.25000 | 0.32190 |
(3/4,3/4,1/2)' + set click here to show and hide |
9 | 0.75000 | 0.75000 | 0.67810 |
10 | 0.75000 | 0.75000 | 0.32190 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.50000 | 0.17810 |
12 | 0.00000 | 0.50000 | 0.82190 |
(1/4,1/4,1/2)' + set click here to show and hide |
13 | 0.25000 | 0.25000 | 0.67810 |
14 | 0.25000 | 0.25000 | 0.32190 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.50000 | 0.00000 | 0.17810 |
16 | 0.50000 | 0.00000 | 0.82190 |
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.09650 |
2 | 0.00000 | 0.00000 | 0.90350 |
(1/4,3/4,1/2) + set click here to show and hide |
3 | 0.25000 | 0.75000 | 0.59650 |
4 | 0.25000 | 0.75000 | 0.40350 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.09650 |
6 | 0.50000 | 0.50000 | 0.90350 |
(3/4,1/4,1/2) + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.59650 |
8 | 0.75000 | 0.25000 | 0.40350 |
(3/4,3/4,1/2)' + set click here to show and hide |
9 | 0.75000 | 0.75000 | 0.59650 |
10 | 0.75000 | 0.75000 | 0.40350 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.50000 | 0.09650 |
12 | 0.00000 | 0.50000 | 0.90350 |
(1/4,1/4,1/2)' + set click here to show and hide |
13 | 0.25000 | 0.25000 | 0.59650 |
14 | 0.25000 | 0.25000 | 0.40350 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.50000 | 0.00000 | 0.09650 |
16 | 0.50000 | 0.00000 | 0.90350 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.50000 |
(1/4,3/4,1/2) + set click here to show and hide |
2 | 0.25000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.75000 | 0.50000 |
(3/4,1/4,1/2) + set click here to show and hide |
4 | 0.75000 | 0.50000 | 0.00000 |
(3/4,3/4,1/2)' + set click here to show and hide |
5 | 0.75000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.75000 | 0.50000 |
(1/4,1/4,1/2)' + set click here to show and hide |
7 | 0.25000 | 0.50000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
8 | 0.50000 | 0.25000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.50000 |
(1/4,3/4,1/2) + set click here to show and hide |
2 | 0.50000 | 0.75000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.75000 | 0.50000 | 0.50000 |
(3/4,1/4,1/2) + set click here to show and hide |
4 | 0.00000 | 0.25000 | 0.00000 |
(3/4,3/4,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.75000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.25000 | 0.50000 | 0.50000 |
(1/4,1/4,1/2)' + set click here to show and hide |
7 | 0.50000 | 0.25000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
8 | 0.75000 | 0.00000 | 0.50000 |
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