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 | 0.16667 | 0.83333 | 0.91666 | mx,-mx,mz | 2.20000 | -2.20000 | 0.00000 |
2 | 0.16667 | 0.33334 | 0.91666 | mx,2mx,mz | 2.20000 | 4.40000 | 0.00000 |
3 | 0.66666 | 0.83333 | 0.91666 | -2mx,-mx,mz | -4.40000 | -2.20000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.24999 | mx,-mx,mz | 2.20000 | -2.20000 | 0.00000 |
5 | 0.50000 | 0.00000 | 0.24999 | mx,2mx,mz | 2.20000 | 4.40000 | 0.00000 |
6 | 0.00000 | 0.50000 | 0.24999 | -2mx,-mx,mz | -4.40000 | -2.20000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
7 | 0.83334 | 0.16666 | 0.58333 | mx,-mx,mz | 2.20000 | -2.20000 | 0.00000 |
8 | 0.83334 | 0.66667 | 0.58333 | mx,2mx,mz | 2.20000 | 4.40000 | 0.00000 |
9 | 0.33333 | 0.16666 | 0.58333 | -2mx,-mx,mz | -4.40000 | -2.20000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.16667 | 0.83333 | 0.41666 | -mx,mx,-mz | -2.20000 | 2.20000 | 0.00000 |
11 | 0.16667 | 0.33334 | 0.41666 | -mx,-2mx,-mz | -2.20000 | -4.40000 | 0.00000 |
12 | 0.66666 | 0.83333 | 0.41666 | 2mx,mx,-mz | 4.40000 | 2.20000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
13 | 0.50000 | 0.50000 | 0.74999 | -mx,mx,-mz | -2.20000 | 2.20000 | 0.00000 |
14 | 0.50000 | 0.00000 | 0.74999 | -mx,-2mx,-mz | -2.20000 | -4.40000 | 0.00000 |
15 | 0.00000 | 0.50000 | 0.74999 | 2mx,mx,-mz | 4.40000 | 2.20000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
16 | 0.83334 | 0.16666 | 0.08333 | -mx,mx,-mz | -2.20000 | 2.20000 | 0.00000 |
17 | 0.83334 | 0.66667 | 0.08333 | -mx,-2mx,-mz | -2.20000 | -4.40000 | 0.00000 |
18 | 0.33333 | 0.16666 | 0.08333 | 2mx,mx,-mz | 4.40000 | 2.20000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom K1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.33333 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.66667 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.00000 | 0.00000 | 0.50000 |
(1/3,2/3,5/6)' + set click here to show and hide |
5 | 0.33333 | 0.66667 | 0.83333 |
(2/3,1/3,1/6)' + set click here to show and hide |
6 | 0.66667 | 0.33333 | 0.16667 |
Set of atoms in the unit cell related by symmetry with the atom S1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.15420 |
2 | 0.00000 | 0.00000 | 0.84580 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.48753 |
4 | 0.33333 | 0.66667 | 0.17913 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.82087 |
6 | 0.66667 | 0.33333 | 0.51247 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.65420 |
8 | 0.00000 | 0.00000 | 0.34580 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.98753 |
10 | 0.33333 | 0.66667 | 0.67913 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.32087 |
12 | 0.66667 | 0.33333 | 0.01247 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.19670 |
2 | 0.00000 | 0.00000 | 0.80330 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.53003 |
4 | 0.33333 | 0.66667 | 0.13663 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.86337 |
6 | 0.66667 | 0.33333 | 0.46997 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.69670 |
8 | 0.00000 | 0.00000 | 0.30330 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.03003 |
10 | 0.33333 | 0.66667 | 0.63663 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.36337 |
12 | 0.66667 | 0.33333 | 0.96997 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.21800 | 0.78200 | 0.97285 |
2 | 0.21800 | 0.43600 | 0.97285 |
3 | 0.56400 | 0.78200 | 0.97285 |
4 | 0.43600 | 0.21800 | 0.02715 |
5 | 0.78200 | 0.21800 | 0.02715 |
6 | 0.78200 | 0.56400 | 0.02715 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.55133 | 0.44867 | 0.30618 |
8 | 0.55133 | 0.10267 | 0.30618 |
9 | 0.89733 | 0.44867 | 0.30618 |
10 | 0.76933 | 0.88467 | 0.36048 |
11 | 0.11533 | 0.88467 | 0.36048 |
12 | 0.11533 | 0.23067 | 0.36048 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.88467 | 0.11533 | 0.63952 |
14 | 0.88467 | 0.76933 | 0.63952 |
15 | 0.23067 | 0.11533 | 0.63952 |
16 | 0.10267 | 0.55133 | 0.69382 |
17 | 0.44867 | 0.55133 | 0.69382 |
18 | 0.44867 | 0.89733 | 0.69382 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.21800 | 0.78200 | 0.47285 |
20 | 0.21800 | 0.43600 | 0.47285 |
21 | 0.56400 | 0.78200 | 0.47285 |
22 | 0.43600 | 0.21800 | 0.52715 |
23 | 0.78200 | 0.21800 | 0.52715 |
24 | 0.78200 | 0.56400 | 0.52715 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.55133 | 0.44867 | 0.80618 |
26 | 0.55133 | 0.10267 | 0.80618 |
27 | 0.89733 | 0.44867 | 0.80618 |
28 | 0.76933 | 0.88467 | 0.86048 |
29 | 0.11533 | 0.88467 | 0.86048 |
30 | 0.11533 | 0.23067 | 0.86048 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.88467 | 0.11533 | 0.13952 |
32 | 0.88467 | 0.76933 | 0.13952 |
33 | 0.23067 | 0.11533 | 0.13952 |
34 | 0.10267 | 0.55133 | 0.19382 |
35 | 0.44867 | 0.55133 | 0.19382 |
36 | 0.44867 | 0.89733 | 0.19382 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.12470 | 0.87530 | 0.06755 |
2 | 0.12470 | 0.24940 | 0.06755 |
3 | 0.75060 | 0.87530 | 0.06755 |
4 | 0.24940 | 0.12470 | 0.93245 |
5 | 0.87530 | 0.12470 | 0.93245 |
6 | 0.87530 | 0.75060 | 0.93245 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.45803 | 0.54197 | 0.40088 |
8 | 0.45803 | 0.91607 | 0.40088 |
9 | 0.08393 | 0.54197 | 0.40088 |
10 | 0.58273 | 0.79137 | 0.26578 |
11 | 0.20863 | 0.79137 | 0.26578 |
12 | 0.20863 | 0.41727 | 0.26578 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.79137 | 0.20863 | 0.73422 |
14 | 0.79137 | 0.58273 | 0.73422 |
15 | 0.41727 | 0.20863 | 0.73422 |
16 | 0.91607 | 0.45803 | 0.59912 |
17 | 0.54197 | 0.45803 | 0.59912 |
18 | 0.54197 | 0.08393 | 0.59912 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.12470 | 0.87530 | 0.56755 |
20 | 0.12470 | 0.24940 | 0.56755 |
21 | 0.75060 | 0.87530 | 0.56755 |
22 | 0.24940 | 0.12470 | 0.43245 |
23 | 0.87530 | 0.12470 | 0.43245 |
24 | 0.87530 | 0.75060 | 0.43245 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.45803 | 0.54197 | 0.90088 |
26 | 0.45803 | 0.91607 | 0.90088 |
27 | 0.08393 | 0.54197 | 0.90088 |
28 | 0.58273 | 0.79137 | 0.76578 |
29 | 0.20863 | 0.79137 | 0.76578 |
30 | 0.20863 | 0.41727 | 0.76578 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.79137 | 0.20863 | 0.23422 |
32 | 0.79137 | 0.58273 | 0.23422 |
33 | 0.41727 | 0.20863 | 0.23422 |
34 | 0.91607 | 0.45803 | 0.09912 |
35 | 0.54197 | 0.45803 | 0.09912 |
36 | 0.54197 | 0.08393 | 0.09912 |
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