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,my,mz | -4.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.25000 | 0.12500 | mx,-my,-mz | -4.00000 | 0.00000 | 0.00000 |
3 | 0.75000 | 0.50000 | 0.12500 | -mx,my,-mz | 4.00000 | 0.00000 | 0.00000 |
4 | 0.75000 | 0.75000 | 0.00000 | -mx,-my,mz | 4.00000 | 0.00000 | 0.00000 |
5 | 0.00000 | 0.75000 | 0.87500 | -my,mx,mz | 0.00000 | -4.00000 | 0.00000 |
6 | 0.75000 | 0.00000 | 0.87500 | my,-mx,mz | 0.00000 | 4.00000 | 0.00000 |
7 | 0.75000 | 0.25000 | 0.25000 | my,mx,-mz | 0.00000 | -4.00000 | 0.00000 |
8 | 0.00000 | 0.50000 | 0.25000 | -my,-mx,-mz | 0.00000 | 4.00000 | 0.00000 |
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9 | 0.50000 | 0.50000 | 0.50000 | mx,my,mz | -4.00000 | 0.00000 | 0.00000 |
10 | 0.50000 | 0.75000 | 0.62500 | mx,-my,-mz | -4.00000 | 0.00000 | 0.00000 |
11 | 0.25000 | 0.00000 | 0.62500 | -mx,my,-mz | 4.00000 | 0.00000 | 0.00000 |
12 | 0.25000 | 0.25000 | 0.50000 | -mx,-my,mz | 4.00000 | 0.00000 | 0.00000 |
13 | 0.50000 | 0.25000 | 0.37500 | -my,mx,mz | 0.00000 | -4.00000 | 0.00000 |
14 | 0.25000 | 0.50000 | 0.37500 | my,-mx,mz | 0.00000 | 4.00000 | 0.00000 |
15 | 0.25000 | 0.75000 | 0.75000 | my,mx,-mz | 0.00000 | -4.00000 | 0.00000 |
16 | 0.50000 | 0.00000 | 0.75000 | -my,-mx,-mz | 0.00000 | 4.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.00000 | 0.00000 | 0.50000 | -mx,-my,-mz | 4.00000 | 0.00000 | 0.00000 |
18 | 0.00000 | 0.25000 | 0.62500 | -mx,my,mz | 4.00000 | 0.00000 | 0.00000 |
19 | 0.75000 | 0.50000 | 0.62500 | mx,-my,mz | -4.00000 | 0.00000 | 0.00000 |
20 | 0.75000 | 0.75000 | 0.50000 | mx,my,-mz | -4.00000 | 0.00000 | 0.00000 |
21 | 0.00000 | 0.75000 | 0.37500 | my,-mx,-mz | 0.00000 | 4.00000 | 0.00000 |
22 | 0.75000 | 0.00000 | 0.37500 | -my,mx,-mz | 0.00000 | -4.00000 | 0.00000 |
23 | 0.75000 | 0.25000 | 0.75000 | -my,-mx,mz | 0.00000 | 4.00000 | 0.00000 |
24 | 0.00000 | 0.50000 | 0.75000 | my,mx,mz | 0.00000 | -4.00000 | 0.00000 |
(1/2,1/2,0)' + set click here to show and hide |
25 | 0.50000 | 0.50000 | 0.00000 | -mx,-my,-mz | 4.00000 | 0.00000 | 0.00000 |
26 | 0.50000 | 0.75000 | 0.12500 | -mx,my,mz | 4.00000 | 0.00000 | 0.00000 |
27 | 0.25000 | 0.00000 | 0.12500 | mx,-my,mz | -4.00000 | 0.00000 | 0.00000 |
28 | 0.25000 | 0.25000 | 0.00000 | mx,my,-mz | -4.00000 | 0.00000 | 0.00000 |
29 | 0.50000 | 0.25000 | 0.87500 | my,-mx,-mz | 0.00000 | 4.00000 | 0.00000 |
30 | 0.25000 | 0.50000 | 0.87500 | -my,mx,-mz | 0.00000 | -4.00000 | 0.00000 |
31 | 0.25000 | 0.75000 | 0.25000 | -my,-mx,mz | 0.00000 | 4.00000 | 0.00000 |
32 | 0.50000 | 0.00000 | 0.25000 | my,mx,mz | 0.00000 | -4.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Zn1_1:
Atom | x | y | z |
1 | 0.37500 | 0.37500 | 0.18750 |
2 | 0.37500 | 0.87500 | 0.93750 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.87500 | 0.87500 | 0.68750 |
4 | 0.87500 | 0.37500 | 0.43750 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.37500 | 0.37500 | 0.68750 |
6 | 0.37500 | 0.87500 | 0.43750 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.87500 | 0.87500 | 0.18750 |
8 | 0.87500 | 0.37500 | 0.93750 |
Set of atoms in the unit cell related by symmetry with the atom Zn1_2:
Atom | x | y | z |
1 | 0.12500 | 0.62500 | 0.06250 |
2 | 0.62500 | 0.62500 | 0.81250 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.62500 | 0.12500 | 0.56250 |
4 | 0.12500 | 0.12500 | 0.31250 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.12500 | 0.62500 | 0.56250 |
6 | 0.62500 | 0.62500 | 0.31250 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.62500 | 0.12500 | 0.06250 |
8 | 0.12500 | 0.12500 | 0.81250 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.75940 | 0.75940 | 0.37970 |
2 | 0.75940 | 0.49060 | 0.74530 |
3 | 0.99060 | 0.25940 | 0.74530 |
4 | 0.99060 | 0.99060 | 0.37970 |
5 | 0.75940 | 0.99060 | 0.49530 |
6 | 0.99060 | 0.75940 | 0.49530 |
7 | 0.99060 | 0.49060 | 0.62970 |
8 | 0.75940 | 0.25940 | 0.62970 |
(1/2,1/2,1/2) + set click here to show and hide |
9 | 0.25940 | 0.25940 | 0.87970 |
10 | 0.25940 | 0.99060 | 0.24530 |
11 | 0.49060 | 0.75940 | 0.24530 |
12 | 0.49060 | 0.49060 | 0.87970 |
13 | 0.25940 | 0.49060 | 0.99530 |
14 | 0.49060 | 0.25940 | 0.99530 |
15 | 0.49060 | 0.99060 | 0.12970 |
16 | 0.25940 | 0.75940 | 0.12970 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.75940 | 0.75940 | 0.87970 |
18 | 0.75940 | 0.49060 | 0.24530 |
19 | 0.99060 | 0.25940 | 0.24530 |
20 | 0.99060 | 0.99060 | 0.87970 |
21 | 0.75940 | 0.99060 | 0.99530 |
22 | 0.99060 | 0.75940 | 0.99530 |
23 | 0.99060 | 0.49060 | 0.12970 |
24 | 0.75940 | 0.25940 | 0.12970 |
(1/2,1/2,0)' + set click here to show and hide |
25 | 0.25940 | 0.25940 | 0.37970 |
26 | 0.25940 | 0.99060 | 0.74530 |
27 | 0.49060 | 0.75940 | 0.74530 |
28 | 0.49060 | 0.49060 | 0.37970 |
29 | 0.25940 | 0.49060 | 0.49530 |
30 | 0.49060 | 0.25940 | 0.49530 |
31 | 0.49060 | 0.99060 | 0.62970 |
32 | 0.25940 | 0.75940 | 0.62970 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.50940 | 0.00940 | 0.87030 |
2 | 0.50940 | 0.24060 | 0.25470 |
3 | 0.24060 | 0.50940 | 0.25470 |
4 | 0.24060 | 0.74060 | 0.87030 |
5 | 0.00940 | 0.24060 | 0.00470 |
6 | 0.74060 | 0.50940 | 0.00470 |
7 | 0.74060 | 0.74060 | 0.12030 |
8 | 0.00940 | 0.00940 | 0.12030 |
(1/2,1/2,1/2) + set click here to show and hide |
9 | 0.00940 | 0.50940 | 0.37030 |
10 | 0.00940 | 0.74060 | 0.75470 |
11 | 0.74060 | 0.00940 | 0.75470 |
12 | 0.74060 | 0.24060 | 0.37030 |
13 | 0.50940 | 0.74060 | 0.50470 |
14 | 0.24060 | 0.00940 | 0.50470 |
15 | 0.24060 | 0.24060 | 0.62030 |
16 | 0.50940 | 0.50940 | 0.62030 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.50940 | 0.00940 | 0.37030 |
18 | 0.50940 | 0.24060 | 0.75470 |
19 | 0.24060 | 0.50940 | 0.75470 |
20 | 0.24060 | 0.74060 | 0.37030 |
21 | 0.00940 | 0.24060 | 0.50470 |
22 | 0.74060 | 0.50940 | 0.50470 |
23 | 0.74060 | 0.74060 | 0.62030 |
24 | 0.00940 | 0.00940 | 0.62030 |
(1/2,1/2,0)' + set click here to show and hide |
25 | 0.00940 | 0.50940 | 0.87030 |
26 | 0.00940 | 0.74060 | 0.25470 |
27 | 0.74060 | 0.00940 | 0.25470 |
28 | 0.74060 | 0.24060 | 0.87030 |
29 | 0.50940 | 0.74060 | 0.00470 |
30 | 0.24060 | 0.00940 | 0.00470 |
31 | 0.24060 | 0.24060 | 0.12030 |
32 | 0.50940 | 0.50940 | 0.12030 |
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