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,my,0 | 2.69000 | -2.69000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.50000 | mx,my,0 | 2.69000 | -2.69000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.50000 | mx,my,0 | 2.69000 | -2.69000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.00000 | mx,my,0 | 2.69000 | -2.69000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.50000 | -mx,-my,0 | -2.69000 | 2.69000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.50000 | 0.00000 | -mx,-my,0 | -2.69000 | 2.69000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,0 | -2.69000 | 2.69000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.50000 | 0.50000 | 0.50000 | -mx,-my,0 | -2.69000 | 2.69000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.16960 | mx,my,0 | -2.69000 | 2.69000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.33040 | mx,my,0 | -2.69000 | 2.69000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.66960 | mx,my,0 | -2.69000 | 2.69000 | 0.00000 |
4 | 0.00000 | 0.00000 | 0.83040 | mx,my,0 | -2.69000 | 2.69000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.00000 | 0.66960 | mx,my,0 | -2.69000 | 2.69000 | 0.00000 |
6 | 0.50000 | 0.50000 | 0.83040 | mx,my,0 | -2.69000 | 2.69000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.50000 | 0.16960 | mx,my,0 | -2.69000 | 2.69000 | 0.00000 |
8 | 0.50000 | 0.00000 | 0.33040 | mx,my,0 | -2.69000 | 2.69000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.00000 | 0.66960 | -mx,-my,0 | 2.69000 | -2.69000 | 0.00000 |
10 | 0.00000 | 0.50000 | 0.83040 | -mx,-my,0 | 2.69000 | -2.69000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.50000 | 0.16960 | -mx,-my,0 | 2.69000 | -2.69000 | 0.00000 |
12 | 0.00000 | 0.00000 | 0.33040 | -mx,-my,0 | 2.69000 | -2.69000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.00000 | 0.16960 | -mx,-my,0 | 2.69000 | -2.69000 | 0.00000 |
14 | 0.50000 | 0.50000 | 0.33040 | -mx,-my,0 | 2.69000 | -2.69000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.50000 | 0.66960 | -mx,-my,0 | 2.69000 | -2.69000 | 0.00000 |
16 | 0.50000 | 0.00000 | 0.83040 | -mx,-my,0 | 2.69000 | -2.69000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Y1:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.25000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.25000 | 0.75000 | 0.75000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.75000 | 0.25000 | 0.75000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.75000 | 0.75000 | 0.25000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.25000 | 0.75000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.25000 | 0.75000 | 0.25000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.25000 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.75000 | 0.75000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.08270 |
2 | 0.75000 | 0.25000 | 0.41730 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.25000 | 0.75000 | 0.58270 |
4 | 0.75000 | 0.75000 | 0.91730 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.75000 | 0.25000 | 0.58270 |
6 | 0.25000 | 0.25000 | 0.91730 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.75000 | 0.75000 | 0.08270 |
8 | 0.25000 | 0.75000 | 0.41730 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.25000 | 0.25000 | 0.58270 |
10 | 0.75000 | 0.25000 | 0.91730 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.25000 | 0.75000 | 0.08270 |
12 | 0.75000 | 0.75000 | 0.41730 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.75000 | 0.25000 | 0.08270 |
14 | 0.25000 | 0.25000 | 0.41730 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.75000 | 0.75000 | 0.58270 |
16 | 0.25000 | 0.75000 | 0.91730 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.09085 |
2 | 0.00000 | 0.50000 | 0.40915 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.59085 |
4 | 0.00000 | 0.00000 | 0.90915 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.00000 | 0.59085 |
6 | 0.50000 | 0.50000 | 0.90915 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.50000 | 0.09085 |
8 | 0.50000 | 0.00000 | 0.40915 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.00000 | 0.59085 |
10 | 0.00000 | 0.50000 | 0.90915 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.50000 | 0.09085 |
12 | 0.00000 | 0.00000 | 0.40915 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.00000 | 0.09085 |
14 | 0.50000 | 0.50000 | 0.40915 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.50000 | 0.59085 |
16 | 0.50000 | 0.00000 | 0.90915 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.19135 |
2 | 0.75000 | 0.50000 | 0.30865 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.25000 | 0.50000 | 0.69135 |
4 | 0.75000 | 0.00000 | 0.80865 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.75000 | 0.00000 | 0.69135 |
6 | 0.25000 | 0.50000 | 0.80865 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.75000 | 0.50000 | 0.19135 |
8 | 0.25000 | 0.00000 | 0.30865 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.25000 | 0.00000 | 0.69135 |
10 | 0.75000 | 0.50000 | 0.80865 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.25000 | 0.50000 | 0.19135 |
12 | 0.75000 | 0.00000 | 0.30865 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.75000 | 0.00000 | 0.19135 |
14 | 0.25000 | 0.50000 | 0.30865 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.75000 | 0.50000 | 0.69135 |
16 | 0.25000 | 0.00000 | 0.80865 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.19070 |
2 | 0.00000 | 0.25000 | 0.30930 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.75000 | 0.69070 |
4 | 0.00000 | 0.75000 | 0.80930 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.25000 | 0.69070 |
6 | 0.50000 | 0.25000 | 0.80930 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.75000 | 0.19070 |
8 | 0.50000 | 0.75000 | 0.30930 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.25000 | 0.69070 |
10 | 0.00000 | 0.25000 | 0.80930 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.75000 | 0.19070 |
12 | 0.00000 | 0.75000 | 0.30930 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.25000 | 0.19070 |
14 | 0.50000 | 0.25000 | 0.30930 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.75000 | 0.69070 |
16 | 0.50000 | 0.75000 | 0.80930 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.75000 | 0.50000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.25000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.75000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.25000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.75000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.25000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.50000 | 0.75000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.25000 | 0.50000 | 0.50000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.75000 | 0.00000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.75000 | 0.50000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.00000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.25000 | 0.50000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.00000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.75000 | 0.50000 | 0.50000 |
[Hide]