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 | 0.17900 | 0,0,mz | 0.00000 | 0.00000 | 1.00000 |
2 | 0.00000 | 0.00000 | 0.82100 | 0,0,mz | 0.00000 | 0.00000 | 1.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.51233 | 0,0,mz | 0.00000 | 0.00000 | 1.00000 |
4 | 0.33333 | 0.66667 | 0.15433 | 0,0,mz | 0.00000 | 0.00000 | 1.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.84567 | 0,0,mz | 0.00000 | 0.00000 | 1.00000 |
6 | 0.66667 | 0.33333 | 0.48767 | 0,0,mz | 0.00000 | 0.00000 | 1.00000 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.67900 | 0,0,-mz | 0.00000 | 0.00000 | -1.00000 |
8 | 0.00000 | 0.00000 | 0.32100 | 0,0,-mz | 0.00000 | 0.00000 | -1.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.01233 | 0,0,-mz | 0.00000 | 0.00000 | -1.00000 |
10 | 0.33333 | 0.66667 | 0.65433 | 0,0,-mz | 0.00000 | 0.00000 | -1.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.34567 | 0,0,-mz | 0.00000 | 0.00000 | -1.00000 |
12 | 0.66667 | 0.33333 | 0.98767 | 0,0,-mz | 0.00000 | 0.00000 | -1.00000 |
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 | 0.07100 | 0,0,mz | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.92900 | 0,0,mz | 0.00000 | 0.00000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.40433 | 0,0,mz | 0.00000 | 0.00000 | 0.00000 |
4 | 0.33333 | 0.66667 | 0.26233 | 0,0,mz | 0.00000 | 0.00000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.73767 | 0,0,mz | 0.00000 | 0.00000 | 0.00000 |
6 | 0.66667 | 0.33333 | 0.59567 | 0,0,mz | 0.00000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.57100 | 0,0,-mz | 0.00000 | 0.00000 | 0.00000 |
8 | 0.00000 | 0.00000 | 0.42900 | 0,0,-mz | 0.00000 | 0.00000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.90433 | 0,0,-mz | 0.00000 | 0.00000 | 0.00000 |
10 | 0.33333 | 0.66667 | 0.76233 | 0,0,-mz | 0.00000 | 0.00000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.23767 | 0,0,-mz | 0.00000 | 0.00000 | 0.00000 |
12 | 0.66667 | 0.33333 | 0.09567 | 0,0,-mz | 0.00000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ti1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.17900 |
2 | 0.00000 | 0.00000 | 0.82100 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.51233 |
4 | 0.33333 | 0.66667 | 0.15433 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.84567 |
6 | 0.66667 | 0.33333 | 0.48767 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.67900 |
8 | 0.00000 | 0.00000 | 0.32100 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.01233 |
10 | 0.33333 | 0.66667 | 0.65433 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.34567 |
12 | 0.66667 | 0.33333 | 0.98767 |
Set of atoms in the unit cell related by symmetry with the atom Ti2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.07100 |
2 | 0.00000 | 0.00000 | 0.92900 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.40433 |
4 | 0.33333 | 0.66667 | 0.26233 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.73767 |
6 | 0.66667 | 0.33333 | 0.59567 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.57100 |
8 | 0.00000 | 0.00000 | 0.42900 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.90433 |
10 | 0.33333 | 0.66667 | 0.76233 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.23767 |
12 | 0.66667 | 0.33333 | 0.09567 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.30500 | 0.01500 | 0.12500 |
2 | 0.98500 | 0.29000 | 0.12500 |
3 | 0.71000 | 0.69500 | 0.12500 |
4 | 0.69500 | 0.98500 | 0.87500 |
5 | 0.01500 | 0.71000 | 0.87500 |
6 | 0.29000 | 0.30500 | 0.87500 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.63833 | 0.68167 | 0.45833 |
8 | 0.31833 | 0.95667 | 0.45833 |
9 | 0.04333 | 0.36167 | 0.45833 |
10 | 0.02833 | 0.65167 | 0.20833 |
11 | 0.34833 | 0.37667 | 0.20833 |
12 | 0.62333 | 0.97167 | 0.20833 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.97167 | 0.34833 | 0.79167 |
14 | 0.65167 | 0.62333 | 0.79167 |
15 | 0.37667 | 0.02833 | 0.79167 |
16 | 0.36167 | 0.31833 | 0.54167 |
17 | 0.68167 | 0.04333 | 0.54167 |
18 | 0.95667 | 0.63833 | 0.54167 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.30500 | 0.01500 | 0.62500 |
20 | 0.98500 | 0.29000 | 0.62500 |
21 | 0.71000 | 0.69500 | 0.62500 |
22 | 0.69500 | 0.98500 | 0.37500 |
23 | 0.01500 | 0.71000 | 0.37500 |
24 | 0.29000 | 0.30500 | 0.37500 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.63833 | 0.68167 | 0.95833 |
26 | 0.31833 | 0.95667 | 0.95833 |
27 | 0.04333 | 0.36167 | 0.95833 |
28 | 0.02833 | 0.65167 | 0.70833 |
29 | 0.34833 | 0.37667 | 0.70833 |
30 | 0.62333 | 0.97167 | 0.70833 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.97167 | 0.34833 | 0.29167 |
32 | 0.65167 | 0.62333 | 0.29167 |
33 | 0.37667 | 0.02833 | 0.29167 |
34 | 0.36167 | 0.31833 | 0.04167 |
35 | 0.68167 | 0.04333 | 0.04167 |
36 | 0.95667 | 0.63833 | 0.04167 |
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