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 | 0.25400 | mx,my,0 | -0.78000 | 1.57000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.74600 | mx,my,0 | -0.78000 | 1.57000 | 0.00000 |
(1/4,3/4,1/2) + set click here to show and hide |
3 | 0.25000 | 0.75000 | 0.75400 | mx,my,0 | -0.78000 | 1.57000 | 0.00000 |
4 | 0.25000 | 0.25000 | 0.24600 | mx,my,0 | -0.78000 | 1.57000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.25400 | mx,my,0 | -0.78000 | 1.57000 | 0.00000 |
6 | 0.50000 | 0.00000 | 0.74600 | mx,my,0 | -0.78000 | 1.57000 | 0.00000 |
(3/4,1/4,1/2) + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.75400 | mx,my,0 | -0.78000 | 1.57000 | 0.00000 |
8 | 0.75000 | 0.75000 | 0.24600 | mx,my,0 | -0.78000 | 1.57000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.00000 | 0.50000 | 0.25400 | -mx,-my,0 | 0.78000 | -1.57000 | 0.00000 |
10 | 0.00000 | 0.00000 | 0.74600 | -mx,-my,0 | 0.78000 | -1.57000 | 0.00000 |
(1/4,1/4,1/2)' + set click here to show and hide |
11 | 0.25000 | 0.25000 | 0.75400 | -mx,-my,0 | 0.78000 | -1.57000 | 0.00000 |
12 | 0.25000 | 0.75000 | 0.24600 | -mx,-my,0 | 0.78000 | -1.57000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.00000 | 0.25400 | -mx,-my,0 | 0.78000 | -1.57000 | 0.00000 |
14 | 0.50000 | 0.50000 | 0.74600 | -mx,-my,0 | 0.78000 | -1.57000 | 0.00000 |
(3/4,3/4,1/2)' + set click here to show and hide |
15 | 0.75000 | 0.75000 | 0.75400 | -mx,-my,0 | 0.78000 | -1.57000 | 0.00000 |
16 | 0.75000 | 0.25000 | 0.24600 | -mx,-my,0 | 0.78000 | -1.57000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Tl1:
Atom | x | y | z |
1 | 0.48300 | 0.16250 | 0.00000 |
2 | 0.51700 | 0.33750 | 0.00000 |
(1/4,3/4,1/2) + set click here to show and hide |
3 | 0.73300 | 0.91250 | 0.50000 |
4 | 0.76700 | 0.08750 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.98300 | 0.66250 | 0.00000 |
6 | 0.01700 | 0.83750 | 0.00000 |
(3/4,1/4,1/2) + set click here to show and hide |
7 | 0.23300 | 0.41250 | 0.50000 |
8 | 0.26700 | 0.58750 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.48300 | 0.66250 | 0.00000 |
10 | 0.51700 | 0.83750 | 0.00000 |
(1/4,1/4,1/2)' + set click here to show and hide |
11 | 0.73300 | 0.41250 | 0.50000 |
12 | 0.76700 | 0.58750 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.98300 | 0.16250 | 0.00000 |
14 | 0.01700 | 0.33750 | 0.00000 |
(3/4,3/4,1/2)' + set click here to show and hide |
15 | 0.23300 | 0.91250 | 0.50000 |
16 | 0.26700 | 0.08750 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom S1:
Atom | x | y | z |
1 | 0.37050 | 0.02000 | 0.00000 |
2 | 0.62950 | 0.48000 | 0.00000 |
(1/4,3/4,1/2) + set click here to show and hide |
3 | 0.62050 | 0.77000 | 0.50000 |
4 | 0.87950 | 0.23000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.87050 | 0.52000 | 0.00000 |
6 | 0.12950 | 0.98000 | 0.00000 |
(3/4,1/4,1/2) + set click here to show and hide |
7 | 0.12050 | 0.27000 | 0.50000 |
8 | 0.37950 | 0.73000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.37050 | 0.52000 | 0.00000 |
10 | 0.62950 | 0.98000 | 0.00000 |
(1/4,1/4,1/2)' + set click here to show and hide |
11 | 0.62050 | 0.27000 | 0.50000 |
12 | 0.87950 | 0.73000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.87050 | 0.02000 | 0.00000 |
14 | 0.12950 | 0.48000 | 0.00000 |
(3/4,3/4,1/2)' + set click here to show and hide |
15 | 0.12050 | 0.77000 | 0.50000 |
16 | 0.37950 | 0.23000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom S2:
Atom | x | y | z |
1 | 0.29200 | 0.33800 | 0.00000 |
2 | 0.70800 | 0.16200 | 0.00000 |
(1/4,3/4,1/2) + set click here to show and hide |
3 | 0.54200 | 0.08800 | 0.50000 |
4 | 0.95800 | 0.91200 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.79200 | 0.83800 | 0.00000 |
6 | 0.20800 | 0.66200 | 0.00000 |
(3/4,1/4,1/2) + set click here to show and hide |
7 | 0.04200 | 0.58800 | 0.50000 |
8 | 0.45800 | 0.41200 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.29200 | 0.83800 | 0.00000 |
10 | 0.70800 | 0.66200 | 0.00000 |
(1/4,1/4,1/2)' + set click here to show and hide |
11 | 0.54200 | 0.58800 | 0.50000 |
12 | 0.95800 | 0.41200 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.79200 | 0.33800 | 0.00000 |
14 | 0.20800 | 0.16200 | 0.00000 |
(3/4,3/4,1/2)' + set click here to show and hide |
15 | 0.04200 | 0.08800 | 0.50000 |
16 | 0.45800 | 0.91200 | 0.50000 |
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