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 | 0.12500 | 0.12500 | 0.06250 | mx,my,mz | 1.98000 | 0.00000 | 1.98000 |
2 | 0.37500 | 0.12500 | 0.68750 | -mx,my,-mz | -1.98000 | 0.00000 | -1.98000 |
3 | 0.62500 | 0.87500 | 0.68750 | mx,-my,-mz | 1.98000 | 0.00000 | -1.98000 |
4 | 0.87500 | 0.87500 | 0.06250 | -mx,-my,mz | -1.98000 | 0.00000 | 1.98000 |
5 | 0.87500 | 0.12500 | 0.93750 | my,-mx,mz | 0.00000 | -1.98000 | 1.98000 |
6 | 0.12500 | 0.87500 | 0.93750 | -my,mx,mz | 0.00000 | 1.98000 | 1.98000 |
7 | 0.37500 | 0.87500 | 0.81250 | my,mx,-mz | 0.00000 | 1.98000 | -1.98000 |
8 | 0.62500 | 0.12500 | 0.81250 | -my,-mx,-mz | 0.00000 | -1.98000 | -1.98000 |
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9 | 0.62500 | 0.62500 | 0.56250 | mx,my,mz | 1.98000 | 0.00000 | 1.98000 |
10 | 0.87500 | 0.62500 | 0.18750 | -mx,my,-mz | -1.98000 | 0.00000 | -1.98000 |
11 | 0.12500 | 0.37500 | 0.18750 | mx,-my,-mz | 1.98000 | 0.00000 | -1.98000 |
12 | 0.37500 | 0.37500 | 0.56250 | -mx,-my,mz | -1.98000 | 0.00000 | 1.98000 |
13 | 0.37500 | 0.62500 | 0.43750 | my,-mx,mz | 0.00000 | -1.98000 | 1.98000 |
14 | 0.62500 | 0.37500 | 0.43750 | -my,mx,mz | 0.00000 | 1.98000 | 1.98000 |
15 | 0.87500 | 0.37500 | 0.31250 | my,mx,-mz | 0.00000 | 1.98000 | -1.98000 |
16 | 0.12500 | 0.62500 | 0.31250 | -my,-mx,-mz | 0.00000 | -1.98000 | -1.98000 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.12500 | 0.12500 | 0.56250 | -mx,-my,-mz | -1.98000 | 0.00000 | -1.98000 |
18 | 0.37500 | 0.12500 | 0.18750 | mx,-my,mz | 1.98000 | 0.00000 | 1.98000 |
19 | 0.62500 | 0.87500 | 0.18750 | -mx,my,mz | -1.98000 | 0.00000 | 1.98000 |
20 | 0.87500 | 0.87500 | 0.56250 | mx,my,-mz | 1.98000 | 0.00000 | -1.98000 |
21 | 0.87500 | 0.12500 | 0.43750 | -my,mx,-mz | 0.00000 | 1.98000 | -1.98000 |
22 | 0.12500 | 0.87500 | 0.43750 | my,-mx,-mz | 0.00000 | -1.98000 | -1.98000 |
23 | 0.37500 | 0.87500 | 0.31250 | -my,-mx,mz | 0.00000 | -1.98000 | 1.98000 |
24 | 0.62500 | 0.12500 | 0.31250 | my,mx,mz | 0.00000 | 1.98000 | 1.98000 |
(1/2,1/2,0)' + set click here to show and hide |
25 | 0.62500 | 0.62500 | 0.06250 | -mx,-my,-mz | -1.98000 | 0.00000 | -1.98000 |
26 | 0.87500 | 0.62500 | 0.68750 | mx,-my,mz | 1.98000 | 0.00000 | 1.98000 |
27 | 0.12500 | 0.37500 | 0.68750 | -mx,my,mz | -1.98000 | 0.00000 | 1.98000 |
28 | 0.37500 | 0.37500 | 0.06250 | mx,my,-mz | 1.98000 | 0.00000 | -1.98000 |
29 | 0.37500 | 0.62500 | 0.93750 | -my,mx,-mz | 0.00000 | 1.98000 | -1.98000 |
30 | 0.62500 | 0.37500 | 0.93750 | my,-mx,-mz | 0.00000 | -1.98000 | -1.98000 |
31 | 0.87500 | 0.37500 | 0.81250 | -my,-mx,mz | 0.00000 | -1.98000 | 1.98000 |
32 | 0.12500 | 0.62500 | 0.81250 | my,mx,mz | 0.00000 | 1.98000 | 1.98000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Zn1_1:
Atom | x | y | z |
1 | 0.50000 | 0.50000 | 0.25000 |
2 | 0.00000 | 0.50000 | 0.50000 |
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3 | 0.00000 | 0.00000 | 0.75000 |
4 | 0.50000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.75000 |
6 | 0.00000 | 0.50000 | 0.00000 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.25000 |
8 | 0.50000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Zn1_2:
Atom | x | y | z |
1 | 0.25000 | 0.75000 | 0.12500 |
2 | 0.25000 | 0.25000 | 0.87500 |
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3 | 0.75000 | 0.25000 | 0.62500 |
4 | 0.75000 | 0.75000 | 0.37500 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.75000 | 0.62500 |
6 | 0.25000 | 0.25000 | 0.37500 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.12500 |
8 | 0.75000 | 0.75000 | 0.87500 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.88440 | 0.88440 | 0.44220 |
2 | 0.61560 | 0.88440 | 0.30780 |
3 | 0.38440 | 0.11560 | 0.30780 |
4 | 0.11560 | 0.11560 | 0.44220 |
5 | 0.11560 | 0.88440 | 0.55780 |
6 | 0.88440 | 0.11560 | 0.55780 |
7 | 0.61560 | 0.11560 | 0.19220 |
8 | 0.38440 | 0.88440 | 0.19220 |
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9 | 0.38440 | 0.38440 | 0.94220 |
10 | 0.11560 | 0.38440 | 0.80780 |
11 | 0.88440 | 0.61560 | 0.80780 |
12 | 0.61560 | 0.61560 | 0.94220 |
13 | 0.61560 | 0.38440 | 0.05780 |
14 | 0.38440 | 0.61560 | 0.05780 |
15 | 0.11560 | 0.61560 | 0.69220 |
16 | 0.88440 | 0.38440 | 0.69220 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.88440 | 0.88440 | 0.94220 |
18 | 0.61560 | 0.88440 | 0.80780 |
19 | 0.38440 | 0.11560 | 0.80780 |
20 | 0.11560 | 0.11560 | 0.94220 |
21 | 0.11560 | 0.88440 | 0.05780 |
22 | 0.88440 | 0.11560 | 0.05780 |
23 | 0.61560 | 0.11560 | 0.69220 |
24 | 0.38440 | 0.88440 | 0.69220 |
(1/2,1/2,0)' + set click here to show and hide |
25 | 0.38440 | 0.38440 | 0.44220 |
26 | 0.11560 | 0.38440 | 0.30780 |
27 | 0.88440 | 0.61560 | 0.30780 |
28 | 0.61560 | 0.61560 | 0.44220 |
29 | 0.61560 | 0.38440 | 0.55780 |
30 | 0.38440 | 0.61560 | 0.55780 |
31 | 0.11560 | 0.61560 | 0.19220 |
32 | 0.88440 | 0.38440 | 0.19220 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.63440 | 0.13440 | 0.93280 |
2 | 0.86560 | 0.13440 | 0.81720 |
3 | 0.13440 | 0.86560 | 0.81720 |
4 | 0.36560 | 0.86560 | 0.93280 |
5 | 0.86560 | 0.63440 | 0.06720 |
6 | 0.13440 | 0.36560 | 0.06720 |
7 | 0.36560 | 0.36560 | 0.68280 |
8 | 0.63440 | 0.63440 | 0.68280 |
(1/2,1/2,1/2) + set click here to show and hide |
9 | 0.13440 | 0.63440 | 0.43280 |
10 | 0.36560 | 0.63440 | 0.31720 |
11 | 0.63440 | 0.36560 | 0.31720 |
12 | 0.86560 | 0.36560 | 0.43280 |
13 | 0.36560 | 0.13440 | 0.56720 |
14 | 0.63440 | 0.86560 | 0.56720 |
15 | 0.86560 | 0.86560 | 0.18280 |
16 | 0.13440 | 0.13440 | 0.18280 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.63440 | 0.13440 | 0.43280 |
18 | 0.86560 | 0.13440 | 0.31720 |
19 | 0.13440 | 0.86560 | 0.31720 |
20 | 0.36560 | 0.86560 | 0.43280 |
21 | 0.86560 | 0.63440 | 0.56720 |
22 | 0.13440 | 0.36560 | 0.56720 |
23 | 0.36560 | 0.36560 | 0.18280 |
24 | 0.63440 | 0.63440 | 0.18280 |
(1/2,1/2,0)' + set click here to show and hide |
25 | 0.13440 | 0.63440 | 0.93280 |
26 | 0.36560 | 0.63440 | 0.81720 |
27 | 0.63440 | 0.36560 | 0.81720 |
28 | 0.86560 | 0.36560 | 0.93280 |
29 | 0.36560 | 0.13440 | 0.06720 |
30 | 0.63440 | 0.86560 | 0.06720 |
31 | 0.86560 | 0.86560 | 0.68280 |
32 | 0.13440 | 0.13440 | 0.68280 |
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