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:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,0,0 | 3.16000 | 0.00000 | 0.00000 |
2 | 0.66667 | 0.66667 | 0.00000 | 0,mx,0 | 0.00000 | 3.16000 | 0.00000 |
3 | 0.00000 | 0.66667 | 0.00000 | -mx,-mx,0 | -3.16000 | -3.16000 | 0.00000 |
4 | 0.00000 | 0.66667 | 0.50000 | -mx,-mx,0 | -3.16000 | -3.16000 | 0.00000 |
5 | 0.00000 | 0.00000 | 0.50000 | mx,0,0 | 3.16000 | 0.00000 | 0.00000 |
6 | 0.66667 | 0.66667 | 0.50000 | 0,mx,0 | 0.00000 | 3.16000 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.33333 | 0.66667 | 0.00000 | mx,0,0 | 3.16000 | 0.00000 | 0.00000 |
8 | 0.00000 | 0.33333 | 0.00000 | 0,mx,0 | 0.00000 | 3.16000 | 0.00000 |
9 | 0.33333 | 0.33333 | 0.00000 | -mx,-mx,0 | -3.16000 | -3.16000 | 0.00000 |
10 | 0.33333 | 0.33333 | 0.50000 | -mx,-mx,0 | -3.16000 | -3.16000 | 0.00000 |
11 | 0.33333 | 0.66667 | 0.50000 | mx,0,0 | 3.16000 | 0.00000 | 0.00000 |
12 | 0.00000 | 0.33333 | 0.50000 | 0,mx,0 | 0.00000 | 3.16000 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.66667 | 0.33333 | 0.00000 | mx,0,0 | 3.16000 | 0.00000 | 0.00000 |
14 | 0.33333 | 0.00000 | 0.00000 | 0,mx,0 | 0.00000 | 3.16000 | 0.00000 |
15 | 0.66667 | 0.00000 | 0.00000 | -mx,-mx,0 | -3.16000 | -3.16000 | 0.00000 |
16 | 0.66667 | 0.00000 | 0.50000 | -mx,-mx,0 | -3.16000 | -3.16000 | 0.00000 |
17 | 0.66667 | 0.33333 | 0.50000 | mx,0,0 | 3.16000 | 0.00000 | 0.00000 |
18 | 0.33333 | 0.00000 | 0.50000 | 0,mx,0 | 0.00000 | 3.16000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Cl1_1:
Atom | x | y | z |
1 | 0.05251 | 0.10502 | 0.25000 |
2 | 0.56165 | 0.61416 | 0.25000 |
3 | 0.05251 | 0.61416 | 0.25000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.38584 | 0.77169 | 0.25000 |
5 | 0.89498 | 0.28082 | 0.25000 |
6 | 0.38584 | 0.28082 | 0.25000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.71918 | 0.43835 | 0.25000 |
8 | 0.22831 | 0.94749 | 0.25000 |
9 | 0.71918 | 0.94749 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Cl1_2:
Atom | x | y | z |
1 | 0.89497 | 0.94749 | 0.25000 |
2 | 0.71918 | 0.61415 | 0.25000 |
3 | 0.05252 | 0.77170 | 0.25000 |
4 | 0.71918 | 0.77170 | 0.25000 |
5 | 0.89497 | 0.61415 | 0.25000 |
6 | 0.05252 | 0.94749 | 0.25000 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.22830 | 0.61416 | 0.25000 |
8 | 0.05251 | 0.28081 | 0.25000 |
9 | 0.38585 | 0.43836 | 0.25000 |
10 | 0.05251 | 0.43836 | 0.25000 |
11 | 0.22830 | 0.28081 | 0.25000 |
12 | 0.38585 | 0.61416 | 0.25000 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.56164 | 0.28082 | 0.25000 |
14 | 0.38584 | 0.94748 | 0.25000 |
15 | 0.71919 | 0.10503 | 0.25000 |
16 | 0.38584 | 0.10503 | 0.25000 |
17 | 0.56164 | 0.94748 | 0.25000 |
18 | 0.71919 | 0.28082 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Cl1_3:
Atom | x | y | z |
1 | 0.94749 | 0.89497 | 0.75000 |
2 | 0.77170 | 0.71919 | 0.75000 |
3 | 0.94748 | 0.71918 | 0.75000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.28082 | 0.56164 | 0.75000 |
5 | 0.10503 | 0.38585 | 0.75000 |
6 | 0.28081 | 0.38584 | 0.75000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.61416 | 0.22830 | 0.75000 |
8 | 0.43836 | 0.05252 | 0.75000 |
9 | 0.61415 | 0.05251 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Cl1_4:
Atom | x | y | z |
1 | 0.10503 | 0.05251 | 0.75000 |
2 | 0.61416 | 0.71919 | 0.75000 |
3 | 0.94748 | 0.56164 | 0.75000 |
4 | 0.61416 | 0.56164 | 0.75000 |
5 | 0.10503 | 0.71919 | 0.75000 |
6 | 0.94748 | 0.05251 | 0.75000 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.43836 | 0.71918 | 0.75000 |
8 | 0.94749 | 0.38585 | 0.75000 |
9 | 0.28081 | 0.22830 | 0.75000 |
10 | 0.94749 | 0.22830 | 0.75000 |
11 | 0.43836 | 0.38585 | 0.75000 |
12 | 0.28081 | 0.71918 | 0.75000 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.77170 | 0.38584 | 0.75000 |
14 | 0.28082 | 0.05252 | 0.75000 |
15 | 0.61415 | 0.89497 | 0.75000 |
16 | 0.28082 | 0.89497 | 0.75000 |
17 | 0.77170 | 0.05252 | 0.75000 |
18 | 0.61415 | 0.38584 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Cs1_1:
Atom | x | y | z |
1 | 0.11111 | 0.22222 | 0.75000 |
2 | 0.44445 | 0.55556 | 0.75000 |
3 | 0.11111 | 0.55556 | 0.75000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.44444 | 0.88889 | 0.75000 |
5 | 0.77778 | 0.22222 | 0.75000 |
6 | 0.44444 | 0.22222 | 0.75000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.77778 | 0.55555 | 0.75000 |
8 | 0.11111 | 0.88889 | 0.75000 |
9 | 0.77778 | 0.88889 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Cs1_2:
Atom | x | y | z |
1 | 0.22222 | 0.11111 | 0.25000 |
2 | 0.55556 | 0.44445 | 0.25000 |
(1/3,2/3,0) + set click here to show and hide |
3 | 0.55555 | 0.77778 | 0.25000 |
4 | 0.88889 | 0.11111 | 0.25000 |
(2/3,1/3,0) + set click here to show and hide |
5 | 0.88889 | 0.44444 | 0.25000 |
6 | 0.22222 | 0.77778 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Cs1_3:
Atom | x | y | z |
1 | 0.22222 | 0.44444 | 0.25000 |
(1/3,2/3,0) + set click here to show and hide |
2 | 0.55555 | 0.11111 | 0.25000 |
(2/3,1/3,0) + set click here to show and hide |
3 | 0.88889 | 0.77777 | 0.25000 |
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