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 | 0.25000 | 0.00000 | 0.25000 | mx,my,mz | 0.00000 | 3.20000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
2 | 0.75000 | 0.00000 | 0.75000 | mx,my,mz | 0.00000 | 3.20000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
3 | 0.25000 | 0.00000 | 0.75000 | -mx,-my,-mz | 0.00000 | -3.20000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.75000 | 0.00000 | 0.25000 | -mx,-my,-mz | 0.00000 | -3.20000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom S1:
Atom | x | y | z |
1 | 0.07400 | 0.24500 | 0.35650 |
2 | 0.92600 | 0.75500 | 0.64350 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.57400 | 0.24500 | 0.85650 |
4 | 0.42600 | 0.75500 | 0.14350 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.07400 | 0.24500 | 0.85650 |
6 | 0.92600 | 0.75500 | 0.14350 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.57400 | 0.24500 | 0.35650 |
8 | 0.42600 | 0.75500 | 0.64350 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.06800 | 0.77800 | 0.20300 |
2 | 0.93200 | 0.22200 | 0.79700 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.56800 | 0.77800 | 0.70300 |
4 | 0.43200 | 0.22200 | 0.29700 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.06800 | 0.77800 | 0.70300 |
6 | 0.93200 | 0.22200 | 0.29700 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.56800 | 0.77800 | 0.20300 |
8 | 0.43200 | 0.22200 | 0.79700 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.17100 | 0.27100 | 0.30000 |
2 | 0.82900 | 0.72900 | 0.70000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.67100 | 0.27100 | 0.80000 |
4 | 0.32900 | 0.72900 | 0.20000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.17100 | 0.27100 | 0.80000 |
6 | 0.82900 | 0.72900 | 0.20000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.67100 | 0.27100 | 0.30000 |
8 | 0.32900 | 0.72900 | 0.70000 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.07650 | 0.04200 | 0.41700 |
2 | 0.92350 | 0.95800 | 0.58300 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.57650 | 0.04200 | 0.91700 |
4 | 0.42350 | 0.95800 | 0.08300 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.07650 | 0.04200 | 0.91700 |
6 | 0.92350 | 0.95800 | 0.08300 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.57650 | 0.04200 | 0.41700 |
8 | 0.42350 | 0.95800 | 0.58300 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.39900 | 0.53400 | 0.07800 |
2 | 0.60100 | 0.46600 | 0.92200 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.89900 | 0.53400 | 0.57800 |
4 | 0.10100 | 0.46600 | 0.42200 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.39900 | 0.53400 | 0.57800 |
6 | 0.60100 | 0.46600 | 0.42200 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.89900 | 0.53400 | 0.07800 |
8 | 0.10100 | 0.46600 | 0.92200 |
Set of atoms in the unit cell related by symmetry with the atom N1:
Atom | x | y | z |
1 | 0.21550 | 0.17700 | 0.12000 |
2 | 0.78450 | 0.82300 | 0.88000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.71550 | 0.17700 | 0.62000 |
4 | 0.28450 | 0.82300 | 0.38000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.21550 | 0.17700 | 0.62000 |
6 | 0.78450 | 0.82300 | 0.38000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.71550 | 0.17700 | 0.12000 |
8 | 0.28450 | 0.82300 | 0.88000 |
Set of atoms in the unit cell related by symmetry with the atom H1:
Atom | x | y | z |
1 | 0.19000 | 0.06800 | 0.06500 |
2 | 0.81000 | 0.93200 | 0.93500 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.69000 | 0.06800 | 0.56500 |
4 | 0.31000 | 0.93200 | 0.43500 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.19000 | 0.06800 | 0.56500 |
6 | 0.81000 | 0.93200 | 0.43500 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.69000 | 0.06800 | 0.06500 |
8 | 0.31000 | 0.93200 | 0.93500 |
Set of atoms in the unit cell related by symmetry with the atom H2:
Atom | x | y | z |
1 | 0.30750 | 0.28300 | 0.11500 |
2 | 0.69250 | 0.71700 | 0.88500 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.80750 | 0.28300 | 0.61500 |
4 | 0.19250 | 0.71700 | 0.38500 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.30750 | 0.28300 | 0.61500 |
6 | 0.69250 | 0.71700 | 0.38500 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.80750 | 0.28300 | 0.11500 |
8 | 0.19250 | 0.71700 | 0.88500 |
Set of atoms in the unit cell related by symmetry with the atom N2:
Atom | x | y | z |
1 | 0.12100 | 0.32800 | 0.10900 |
2 | 0.87900 | 0.67200 | 0.89100 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.62100 | 0.32800 | 0.60900 |
4 | 0.37900 | 0.67200 | 0.39100 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.12100 | 0.32800 | 0.60900 |
6 | 0.87900 | 0.67200 | 0.39100 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.62100 | 0.32800 | 0.10900 |
8 | 0.37900 | 0.67200 | 0.89100 |
Set of atoms in the unit cell related by symmetry with the atom H3:
Atom | x | y | z |
1 | 0.12150 | 0.40600 | 0.04750 |
2 | 0.87850 | 0.59400 | 0.95250 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.62150 | 0.40600 | 0.54750 |
4 | 0.37850 | 0.59400 | 0.45250 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.12150 | 0.40600 | 0.54750 |
6 | 0.87850 | 0.59400 | 0.45250 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.62150 | 0.40600 | 0.04750 |
8 | 0.37850 | 0.59400 | 0.95250 |
Set of atoms in the unit cell related by symmetry with the atom H4:
Atom | x | y | z |
1 | 0.04100 | 0.23200 | 0.11150 |
2 | 0.95900 | 0.76800 | 0.88850 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.54100 | 0.23200 | 0.61150 |
4 | 0.45900 | 0.76800 | 0.38850 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.04100 | 0.23200 | 0.61150 |
6 | 0.95900 | 0.76800 | 0.38850 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.54100 | 0.23200 | 0.11150 |
8 | 0.45900 | 0.76800 | 0.88850 |
Set of atoms in the unit cell related by symmetry with the atom H5:
Atom | x | y | z |
1 | 0.16100 | 0.46600 | 0.16950 |
2 | 0.83900 | 0.53400 | 0.83050 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.66100 | 0.46600 | 0.66950 |
4 | 0.33900 | 0.53400 | 0.33050 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.16100 | 0.46600 | 0.66950 |
6 | 0.83900 | 0.53400 | 0.33050 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.66100 | 0.46600 | 0.16950 |
8 | 0.33900 | 0.53400 | 0.83050 |
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