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,-mx,0 | 2.46000 | -2.46000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.50000 | mx,-mx,0 | 2.46000 | -2.46000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.50000 | mx,-mx,0 | 2.46000 | -2.46000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.00000 | mx,-mx,0 | 2.46000 | -2.46000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.50000 | -mx,mx,0 | -2.46000 | 2.46000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.50000 | 0.00000 | -mx,mx,0 | -2.46000 | 2.46000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.00000 | -mx,mx,0 | -2.46000 | 2.46000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.50000 | 0.50000 | 0.50000 | -mx,mx,0 | -2.46000 | 2.46000 | 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 | 0.16990 | mx,-mx,0 | -2.46000 | 2.46000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.83010 | mx,-mx,0 | -2.46000 | 2.46000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.66990 | mx,-mx,0 | -2.46000 | 2.46000 | 0.00000 |
4 | 0.00000 | 0.50000 | 0.33010 | mx,-mx,0 | -2.46000 | 2.46000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.00000 | 0.66990 | mx,-mx,0 | -2.46000 | 2.46000 | 0.00000 |
6 | 0.50000 | 0.00000 | 0.33010 | mx,-mx,0 | -2.46000 | 2.46000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.50000 | 0.16990 | mx,-mx,0 | -2.46000 | 2.46000 | 0.00000 |
8 | 0.50000 | 0.50000 | 0.83010 | mx,-mx,0 | -2.46000 | 2.46000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.00000 | 0.66990 | -mx,mx,0 | 2.46000 | -2.46000 | 0.00000 |
10 | 0.00000 | 0.00000 | 0.33010 | -mx,mx,0 | 2.46000 | -2.46000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.50000 | 0.16990 | -mx,mx,0 | 2.46000 | -2.46000 | 0.00000 |
12 | 0.00000 | 0.50000 | 0.83010 | -mx,mx,0 | 2.46000 | -2.46000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.00000 | 0.16990 | -mx,mx,0 | 2.46000 | -2.46000 | 0.00000 |
14 | 0.50000 | 0.00000 | 0.83010 | -mx,mx,0 | 2.46000 | -2.46000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.50000 | 0.66990 | -mx,mx,0 | 2.46000 | -2.46000 | 0.00000 |
16 | 0.50000 | 0.50000 | 0.33010 | -mx,mx,0 | 2.46000 | -2.46000 | 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 | 0.08320 |
2 | 0.75000 | 0.75000 | 0.91680 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.25000 | 0.75000 | 0.58320 |
4 | 0.75000 | 0.25000 | 0.41680 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.75000 | 0.25000 | 0.58320 |
6 | 0.25000 | 0.75000 | 0.41680 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.75000 | 0.75000 | 0.08320 |
8 | 0.25000 | 0.25000 | 0.91680 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.25000 | 0.25000 | 0.58320 |
10 | 0.75000 | 0.75000 | 0.41680 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.25000 | 0.75000 | 0.08320 |
12 | 0.75000 | 0.25000 | 0.91680 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.75000 | 0.25000 | 0.08320 |
14 | 0.25000 | 0.75000 | 0.91680 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.75000 | 0.75000 | 0.58320 |
16 | 0.25000 | 0.25000 | 0.41680 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.09090 |
2 | 0.00000 | 0.00000 | 0.90910 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.59090 |
4 | 0.00000 | 0.50000 | 0.40910 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.00000 | 0.59090 |
6 | 0.50000 | 0.00000 | 0.40910 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.50000 | 0.09090 |
8 | 0.50000 | 0.50000 | 0.90910 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.00000 | 0.59090 |
10 | 0.00000 | 0.00000 | 0.40910 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.50000 | 0.09090 |
12 | 0.00000 | 0.50000 | 0.90910 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.00000 | 0.09090 |
14 | 0.50000 | 0.00000 | 0.90910 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.50000 | 0.59090 |
16 | 0.50000 | 0.50000 | 0.40910 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.19085 |
2 | 0.75000 | 0.00000 | 0.80915 |
3 | 0.00000 | 0.75000 | 0.80915 |
4 | 0.25000 | 0.00000 | 0.19085 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.00000 | 0.75000 | 0.69085 |
6 | 0.75000 | 0.50000 | 0.30915 |
7 | 0.00000 | 0.25000 | 0.30915 |
8 | 0.25000 | 0.50000 | 0.69085 |
(1/2,0,1/2) + set click here to show and hide |
9 | 0.50000 | 0.25000 | 0.69085 |
10 | 0.25000 | 0.00000 | 0.30915 |
11 | 0.50000 | 0.75000 | 0.30915 |
12 | 0.75000 | 0.00000 | 0.69085 |
(1/2,1/2,0) + set click here to show and hide |
13 | 0.50000 | 0.75000 | 0.19085 |
14 | 0.25000 | 0.50000 | 0.80915 |
15 | 0.50000 | 0.25000 | 0.80915 |
16 | 0.75000 | 0.50000 | 0.19085 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.00000 | 0.25000 | 0.69085 |
18 | 0.75000 | 0.00000 | 0.30915 |
19 | 0.00000 | 0.75000 | 0.30915 |
20 | 0.25000 | 0.00000 | 0.69085 |
(0,1/2,0)' + set click here to show and hide |
21 | 0.00000 | 0.75000 | 0.19085 |
22 | 0.75000 | 0.50000 | 0.80915 |
23 | 0.00000 | 0.25000 | 0.80915 |
24 | 0.25000 | 0.50000 | 0.19085 |
(1/2,0,0)' + set click here to show and hide |
25 | 0.50000 | 0.25000 | 0.19085 |
26 | 0.25000 | 0.00000 | 0.80915 |
27 | 0.50000 | 0.75000 | 0.80915 |
28 | 0.75000 | 0.00000 | 0.19085 |
(1/2,1/2,1/2)' + set click here to show and hide |
29 | 0.50000 | 0.75000 | 0.69085 |
30 | 0.25000 | 0.50000 | 0.30915 |
31 | 0.50000 | 0.25000 | 0.30915 |
32 | 0.75000 | 0.50000 | 0.69085 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.16970 |
2 | 0.75000 | 0.00000 | 0.83030 |
3 | 0.00000 | 0.75000 | 0.83030 |
4 | 0.25000 | 0.00000 | 0.16970 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.00000 | 0.75000 | 0.66970 |
6 | 0.75000 | 0.50000 | 0.33030 |
7 | 0.00000 | 0.25000 | 0.33030 |
8 | 0.25000 | 0.50000 | 0.66970 |
(1/2,0,1/2) + set click here to show and hide |
9 | 0.50000 | 0.25000 | 0.66970 |
10 | 0.25000 | 0.00000 | 0.33030 |
11 | 0.50000 | 0.75000 | 0.33030 |
12 | 0.75000 | 0.00000 | 0.66970 |
(1/2,1/2,0) + set click here to show and hide |
13 | 0.50000 | 0.75000 | 0.16970 |
14 | 0.25000 | 0.50000 | 0.83030 |
15 | 0.50000 | 0.25000 | 0.83030 |
16 | 0.75000 | 0.50000 | 0.16970 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.00000 | 0.25000 | 0.66970 |
18 | 0.75000 | 0.00000 | 0.33030 |
19 | 0.00000 | 0.75000 | 0.33030 |
20 | 0.25000 | 0.00000 | 0.66970 |
(0,1/2,0)' + set click here to show and hide |
21 | 0.00000 | 0.75000 | 0.16970 |
22 | 0.75000 | 0.50000 | 0.83030 |
23 | 0.00000 | 0.25000 | 0.83030 |
24 | 0.25000 | 0.50000 | 0.16970 |
(1/2,0,0)' + set click here to show and hide |
25 | 0.50000 | 0.25000 | 0.16970 |
26 | 0.25000 | 0.00000 | 0.83030 |
27 | 0.50000 | 0.75000 | 0.83030 |
28 | 0.75000 | 0.00000 | 0.16970 |
(1/2,1/2,1/2)' + set click here to show and hide |
29 | 0.50000 | 0.75000 | 0.66970 |
30 | 0.25000 | 0.50000 | 0.33030 |
31 | 0.50000 | 0.25000 | 0.33030 |
32 | 0.75000 | 0.50000 | 0.66970 |
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 |
2 | 0.75000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.75000 | 0.50000 |
4 | 0.75000 | 0.50000 | 0.50000 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.25000 | 0.50000 |
6 | 0.25000 | 0.00000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.75000 | 0.00000 |
8 | 0.25000 | 0.50000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.25000 | 0.50000 |
10 | 0.75000 | 0.00000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.75000 | 0.00000 |
12 | 0.75000 | 0.50000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.25000 | 0.00000 |
14 | 0.25000 | 0.00000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.75000 | 0.50000 |
16 | 0.25000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.75000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.75000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.25000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.75000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.50000 | 0.25000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.25000 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.50000 | 0.50000 | 0.75000 |
[Hide]