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 Mn1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.50000 | mx,my,mz | 2.50000 | 0.00000 | 0.00000 |
(1/4,3/4,0) + set click here to show and hide |
2 | 0.25000 | 0.75000 | 0.50000 | mx,my,mz | 2.50000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.50000 | mx,my,mz | 2.50000 | 0.00000 | 0.00000 |
(3/4,1/4,0) + set click here to show and hide |
4 | 0.75000 | 0.25000 | 0.50000 | mx,my,mz | 2.50000 | 0.00000 | 0.00000 |
(3/4,3/4,0)' + set click here to show and hide |
5 | 0.75000 | 0.75000 | 0.50000 | -mx,-my,-mz | -2.50000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.50000 | 0.50000 | -mx,-my,-mz | -2.50000 | 0.00000 | 0.00000 |
(1/4,1/4,0)' + set click here to show and hide |
7 | 0.25000 | 0.25000 | 0.50000 | -mx,-my,-mz | -2.50000 | 0.00000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
8 | 0.50000 | 0.00000 | 0.50000 | -mx,-my,-mz | -2.50000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.13100 | 0.00000 | mx,my,mz | -2.10000 | 0.00000 | -0.57000 |
2 | 0.00000 | 0.86900 | 0.00000 | mx,my,mz | -2.10000 | 0.00000 | -0.57000 |
(1/4,3/4,0) + set click here to show and hide |
3 | 0.25000 | 0.88100 | 0.00000 | mx,my,mz | -2.10000 | 0.00000 | -0.57000 |
4 | 0.25000 | 0.61900 | 0.00000 | mx,my,mz | -2.10000 | 0.00000 | -0.57000 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.50000 | 0.63100 | 0.00000 | mx,my,mz | -2.10000 | 0.00000 | -0.57000 |
6 | 0.50000 | 0.36900 | 0.00000 | mx,my,mz | -2.10000 | 0.00000 | -0.57000 |
(3/4,1/4,0) + set click here to show and hide |
7 | 0.75000 | 0.38100 | 0.00000 | mx,my,mz | -2.10000 | 0.00000 | -0.57000 |
8 | 0.75000 | 0.11900 | 0.00000 | mx,my,mz | -2.10000 | 0.00000 | -0.57000 |
(3/4,3/4,0)' + set click here to show and hide |
9 | 0.75000 | 0.88100 | 0.00000 | -mx,-my,-mz | 2.10000 | 0.00000 | 0.57000 |
10 | 0.75000 | 0.61900 | 0.00000 | -mx,-my,-mz | 2.10000 | 0.00000 | 0.57000 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.63100 | 0.00000 | -mx,-my,-mz | 2.10000 | 0.00000 | 0.57000 |
12 | 0.00000 | 0.36900 | 0.00000 | -mx,-my,-mz | 2.10000 | 0.00000 | 0.57000 |
(1/4,1/4,0)' + set click here to show and hide |
13 | 0.25000 | 0.38100 | 0.00000 | -mx,-my,-mz | 2.10000 | 0.00000 | 0.57000 |
14 | 0.25000 | 0.11900 | 0.00000 | -mx,-my,-mz | 2.10000 | 0.00000 | 0.57000 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.50000 | 0.13100 | 0.00000 | -mx,-my,-mz | 2.10000 | 0.00000 | 0.57000 |
16 | 0.50000 | 0.86900 | 0.00000 | -mx,-my,-mz | 2.10000 | 0.00000 | 0.57000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ca1:
Atom | x | y | z |
1 | 0.36230 | 0.00000 | 0.66350 |
2 | 0.63770 | 0.00000 | 0.33650 |
(1/4,3/4,0) + set click here to show and hide |
3 | 0.61230 | 0.75000 | 0.66350 |
4 | 0.88770 | 0.75000 | 0.33650 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.86230 | 0.50000 | 0.66350 |
6 | 0.13770 | 0.50000 | 0.33650 |
(3/4,1/4,0) + set click here to show and hide |
7 | 0.11230 | 0.25000 | 0.66350 |
8 | 0.38770 | 0.25000 | 0.33650 |
(3/4,3/4,0)' + set click here to show and hide |
9 | 0.11230 | 0.75000 | 0.66350 |
10 | 0.38770 | 0.75000 | 0.33650 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.36230 | 0.50000 | 0.66350 |
12 | 0.63770 | 0.50000 | 0.33650 |
(1/4,1/4,0)' + set click here to show and hide |
13 | 0.61230 | 0.25000 | 0.66350 |
14 | 0.88770 | 0.25000 | 0.33650 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.86230 | 0.00000 | 0.66350 |
16 | 0.13770 | 0.00000 | 0.33650 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.05060 | 0.11110 | 0.39350 |
2 | 0.94940 | 0.88890 | 0.60650 |
(1/4,3/4,0) + set click here to show and hide |
3 | 0.30060 | 0.86110 | 0.39350 |
4 | 0.19940 | 0.63890 | 0.60650 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.55060 | 0.61110 | 0.39350 |
6 | 0.44940 | 0.38890 | 0.60650 |
(3/4,1/4,0) + set click here to show and hide |
7 | 0.80060 | 0.36110 | 0.39350 |
8 | 0.69940 | 0.13890 | 0.60650 |
(3/4,3/4,0)' + set click here to show and hide |
9 | 0.80060 | 0.86110 | 0.39350 |
10 | 0.69940 | 0.63890 | 0.60650 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.05060 | 0.61110 | 0.39350 |
12 | 0.94940 | 0.38890 | 0.60650 |
(1/4,1/4,0)' + set click here to show and hide |
13 | 0.30060 | 0.36110 | 0.39350 |
14 | 0.19940 | 0.13890 | 0.60650 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.55060 | 0.11110 | 0.39350 |
16 | 0.44940 | 0.88890 | 0.60650 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.94940 | 0.11110 | 0.60650 |
2 | 0.05060 | 0.88890 | 0.39350 |
(1/4,3/4,0) + set click here to show and hide |
3 | 0.19940 | 0.86110 | 0.60650 |
4 | 0.30060 | 0.63890 | 0.39350 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.44940 | 0.61110 | 0.60650 |
6 | 0.55060 | 0.38890 | 0.39350 |
(3/4,1/4,0) + set click here to show and hide |
7 | 0.69940 | 0.36110 | 0.60650 |
8 | 0.80060 | 0.13890 | 0.39350 |
(3/4,3/4,0)' + set click here to show and hide |
9 | 0.69940 | 0.86110 | 0.60650 |
10 | 0.80060 | 0.63890 | 0.39350 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.94940 | 0.61110 | 0.60650 |
12 | 0.05060 | 0.38890 | 0.39350 |
(1/4,1/4,0)' + set click here to show and hide |
13 | 0.19940 | 0.36110 | 0.60650 |
14 | 0.30060 | 0.13890 | 0.39350 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.44940 | 0.11110 | 0.60650 |
16 | 0.55060 | 0.88890 | 0.39350 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.04770 | 0.00000 | 0.89980 |
2 | 0.95230 | 0.00000 | 0.10020 |
(1/4,3/4,0) + set click here to show and hide |
3 | 0.29770 | 0.75000 | 0.89980 |
4 | 0.20230 | 0.75000 | 0.10020 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.54770 | 0.50000 | 0.89980 |
6 | 0.45230 | 0.50000 | 0.10020 |
(3/4,1/4,0) + set click here to show and hide |
7 | 0.79770 | 0.25000 | 0.89980 |
8 | 0.70230 | 0.25000 | 0.10020 |
(3/4,3/4,0)' + set click here to show and hide |
9 | 0.79770 | 0.75000 | 0.89980 |
10 | 0.70230 | 0.75000 | 0.10020 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.04770 | 0.50000 | 0.89980 |
12 | 0.95230 | 0.50000 | 0.10020 |
(1/4,1/4,0)' + set click here to show and hide |
13 | 0.29770 | 0.25000 | 0.89980 |
14 | 0.20230 | 0.25000 | 0.10020 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.54770 | 0.00000 | 0.89980 |
16 | 0.45230 | 0.00000 | 0.10020 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.30165 | 0.00000 | 0.96090 |
2 | 0.69835 | 0.00000 | 0.03910 |
(1/4,3/4,0) + set click here to show and hide |
3 | 0.55165 | 0.75000 | 0.96090 |
4 | 0.94835 | 0.75000 | 0.03910 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.80165 | 0.50000 | 0.96090 |
6 | 0.19835 | 0.50000 | 0.03910 |
(3/4,1/4,0) + set click here to show and hide |
7 | 0.05165 | 0.25000 | 0.96090 |
8 | 0.44835 | 0.25000 | 0.03910 |
(3/4,3/4,0)' + set click here to show and hide |
9 | 0.05165 | 0.75000 | 0.96090 |
10 | 0.44835 | 0.75000 | 0.03910 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.30165 | 0.50000 | 0.96090 |
12 | 0.69835 | 0.50000 | 0.03910 |
(1/4,1/4,0)' + set click here to show and hide |
13 | 0.55165 | 0.25000 | 0.96090 |
14 | 0.94835 | 0.25000 | 0.03910 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.80165 | 0.00000 | 0.96090 |
16 | 0.19835 | 0.00000 | 0.03910 |
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