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 | 0.50000 | 0.00000 | 0.25000 | mx,2mx,mz | 2.02000 | 4.04000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.25000 | -2mx,-mx,mz | -4.04000 | -2.02000 | 0.00000 |
3 | 0.50000 | 0.50000 | 0.25000 | mx,-mx,mz | 2.02000 | -2.02000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
4 | 0.83333 | 0.66667 | 0.58333 | mx,2mx,mz | 2.02000 | 4.04000 | 0.00000 |
5 | 0.33333 | 0.16667 | 0.58333 | -2mx,-mx,mz | -4.04000 | -2.02000 | 0.00000 |
6 | 0.83333 | 0.16667 | 0.58333 | mx,-mx,mz | 2.02000 | -2.02000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
7 | 0.16667 | 0.33333 | 0.91667 | mx,2mx,mz | 2.02000 | 4.04000 | 0.00000 |
8 | 0.66667 | 0.83333 | 0.91667 | -2mx,-mx,mz | -4.04000 | -2.02000 | 0.00000 |
9 | 0.16667 | 0.83333 | 0.91667 | mx,-mx,mz | 2.02000 | -2.02000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.50000 | 0.00000 | 0.75000 | -mx,-2mx,-mz | -2.02000 | -4.04000 | 0.00000 |
11 | 0.00000 | 0.50000 | 0.75000 | 2mx,mx,-mz | 4.04000 | 2.02000 | 0.00000 |
12 | 0.50000 | 0.50000 | 0.75000 | -mx,mx,-mz | -2.02000 | 2.02000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
13 | 0.83333 | 0.66667 | 0.08333 | -mx,-2mx,-mz | -2.02000 | -4.04000 | 0.00000 |
14 | 0.33333 | 0.16667 | 0.08333 | 2mx,mx,-mz | 4.04000 | 2.02000 | 0.00000 |
15 | 0.83333 | 0.16667 | 0.08333 | -mx,mx,-mz | -2.02000 | 2.02000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
16 | 0.16667 | 0.33333 | 0.41667 | -mx,-2mx,-mz | -2.02000 | -4.04000 | 0.00000 |
17 | 0.66667 | 0.83333 | 0.41667 | 2mx,mx,-mz | 4.04000 | 2.02000 | 0.00000 |
18 | 0.16667 | 0.83333 | 0.41667 | -mx,mx,-mz | -2.02000 | 2.02000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom S1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.15627 |
2 | 0.00000 | 0.00000 | 0.84373 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.48960 |
4 | 0.33333 | 0.66667 | 0.17706 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.82294 |
6 | 0.66667 | 0.33333 | 0.51040 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.65627 |
8 | 0.00000 | 0.00000 | 0.34373 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.98960 |
10 | 0.33333 | 0.66667 | 0.67706 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.32294 |
12 | 0.66667 | 0.33333 | 0.01040 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.55645 | 0.44355 | 0.30806 |
2 | 0.55645 | 0.11290 | 0.30806 |
3 | 0.88710 | 0.44355 | 0.30806 |
4 | 0.11290 | 0.55645 | 0.69194 |
5 | 0.44355 | 0.55645 | 0.69194 |
6 | 0.44355 | 0.88710 | 0.69194 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.88978 | 0.11022 | 0.64139 |
8 | 0.88978 | 0.77957 | 0.64139 |
9 | 0.22043 | 0.11022 | 0.64139 |
10 | 0.44623 | 0.22312 | 0.02527 |
11 | 0.77688 | 0.22312 | 0.02527 |
12 | 0.77688 | 0.55377 | 0.02527 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.22312 | 0.77688 | 0.97473 |
14 | 0.22312 | 0.44623 | 0.97473 |
15 | 0.55377 | 0.77688 | 0.97473 |
16 | 0.77957 | 0.88978 | 0.35861 |
17 | 0.11022 | 0.88978 | 0.35861 |
18 | 0.11022 | 0.22043 | 0.35861 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.55645 | 0.44355 | 0.80806 |
20 | 0.55645 | 0.11290 | 0.80806 |
21 | 0.88710 | 0.44355 | 0.80806 |
22 | 0.11290 | 0.55645 | 0.19194 |
23 | 0.44355 | 0.55645 | 0.19194 |
24 | 0.44355 | 0.88710 | 0.19194 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.88978 | 0.11022 | 0.14139 |
26 | 0.88978 | 0.77957 | 0.14139 |
27 | 0.22043 | 0.11022 | 0.14139 |
28 | 0.44623 | 0.22312 | 0.52527 |
29 | 0.77688 | 0.22312 | 0.52527 |
30 | 0.77688 | 0.55377 | 0.52527 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.22312 | 0.77688 | 0.47473 |
32 | 0.22312 | 0.44623 | 0.47473 |
33 | 0.55377 | 0.77688 | 0.47473 |
34 | 0.77957 | 0.88978 | 0.85861 |
35 | 0.11022 | 0.88978 | 0.85861 |
36 | 0.11022 | 0.22043 | 0.85861 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.20783 | 0.79217 | 0.26693 |
2 | 0.20783 | 0.41566 | 0.26693 |
3 | 0.58434 | 0.79217 | 0.26693 |
4 | 0.41566 | 0.20783 | 0.73307 |
5 | 0.79217 | 0.20783 | 0.73307 |
6 | 0.79217 | 0.58434 | 0.73307 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.54116 | 0.45884 | 0.60026 |
8 | 0.54116 | 0.08233 | 0.60026 |
9 | 0.91767 | 0.45884 | 0.60026 |
10 | 0.74899 | 0.87450 | 0.06640 |
11 | 0.12550 | 0.87450 | 0.06640 |
12 | 0.12550 | 0.25101 | 0.06640 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.87450 | 0.12550 | 0.93360 |
14 | 0.87450 | 0.74899 | 0.93360 |
15 | 0.25101 | 0.12550 | 0.93360 |
16 | 0.08233 | 0.54116 | 0.39974 |
17 | 0.45884 | 0.54116 | 0.39974 |
18 | 0.45884 | 0.91767 | 0.39974 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.20783 | 0.79217 | 0.76693 |
20 | 0.20783 | 0.41566 | 0.76693 |
21 | 0.58434 | 0.79217 | 0.76693 |
22 | 0.41566 | 0.20783 | 0.23307 |
23 | 0.79217 | 0.20783 | 0.23307 |
24 | 0.79217 | 0.58434 | 0.23307 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.54116 | 0.45884 | 0.10026 |
26 | 0.54116 | 0.08233 | 0.10026 |
27 | 0.91767 | 0.45884 | 0.10026 |
28 | 0.74899 | 0.87450 | 0.56640 |
29 | 0.12550 | 0.87450 | 0.56640 |
30 | 0.12550 | 0.25101 | 0.56640 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.87450 | 0.12550 | 0.43360 |
32 | 0.87450 | 0.74899 | 0.43360 |
33 | 0.25101 | 0.12550 | 0.43360 |
34 | 0.08233 | 0.54116 | 0.89974 |
35 | 0.45884 | 0.54116 | 0.89974 |
36 | 0.45884 | 0.91767 | 0.89974 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.20039 |
2 | 0.00000 | 0.00000 | 0.79961 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.53372 |
4 | 0.33333 | 0.66667 | 0.13294 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.86706 |
6 | 0.66667 | 0.33333 | 0.46628 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.00000 | 0.00000 | 0.70039 |
8 | 0.00000 | 0.00000 | 0.29961 |
(1/3,2/3,5/6)' + set click here to show and hide |
9 | 0.33333 | 0.66667 | 0.03372 |
10 | 0.33333 | 0.66667 | 0.63294 |
(2/3,1/3,1/6)' + set click here to show and hide |
11 | 0.66667 | 0.33333 | 0.36706 |
12 | 0.66667 | 0.33333 | 0.96628 |
Set of atoms in the unit cell related by symmetry with the atom Na1:
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 H1:
Atom | x | y | z |
1 | 0.14520 | 0.29000 | 0.27650 |
2 | 0.71000 | 0.85520 | 0.27650 |
3 | 0.14480 | 0.85480 | 0.27650 |
4 | 0.85520 | 0.71000 | 0.72350 |
5 | 0.29000 | 0.14520 | 0.72350 |
6 | 0.85480 | 0.14480 | 0.72350 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.47853 | 0.95667 | 0.60983 |
8 | 0.04333 | 0.52187 | 0.60983 |
9 | 0.47813 | 0.52147 | 0.60983 |
10 | 0.18853 | 0.37667 | 0.05683 |
11 | 0.62333 | 0.81187 | 0.05683 |
12 | 0.18813 | 0.81147 | 0.05683 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.81187 | 0.62333 | 0.94317 |
14 | 0.37667 | 0.18853 | 0.94317 |
15 | 0.81147 | 0.18813 | 0.94317 |
16 | 0.52187 | 0.04333 | 0.39017 |
17 | 0.95667 | 0.47853 | 0.39017 |
18 | 0.52147 | 0.47813 | 0.39017 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.14520 | 0.29000 | 0.77650 |
20 | 0.71000 | 0.85520 | 0.77650 |
21 | 0.14480 | 0.85480 | 0.77650 |
22 | 0.85520 | 0.71000 | 0.22350 |
23 | 0.29000 | 0.14520 | 0.22350 |
24 | 0.85480 | 0.14480 | 0.22350 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.47853 | 0.95667 | 0.10983 |
26 | 0.04333 | 0.52187 | 0.10983 |
27 | 0.47813 | 0.52147 | 0.10983 |
28 | 0.18853 | 0.37667 | 0.55683 |
29 | 0.62333 | 0.81187 | 0.55683 |
30 | 0.18813 | 0.81147 | 0.55683 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.81187 | 0.62333 | 0.44317 |
32 | 0.37667 | 0.18853 | 0.44317 |
33 | 0.81147 | 0.18813 | 0.44317 |
34 | 0.52187 | 0.04333 | 0.89017 |
35 | 0.95667 | 0.47853 | 0.89017 |
36 | 0.52147 | 0.47813 | 0.89017 |
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