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 | 0.30720 | 0.27060 | 0.25720 | mx,my,mz | 1.94000 | 1.94000 | 0.00000 |
2 | 0.80720 | 0.22940 | 0.24280 | mx,-my,-mz | 1.94000 | -1.94000 | 0.00000 |
3 | 0.19280 | 0.77060 | 0.24280 | -mx,my,-mz | -1.94000 | 1.94000 | 0.00000 |
4 | 0.69280 | 0.72940 | 0.25720 | -mx,-my,mz | -1.94000 | -1.94000 | 0.00000 |
5 | 0.27060 | 0.69280 | 0.74280 | my,-mx,-mz | 1.94000 | -1.94000 | 0.00000 |
6 | 0.72940 | 0.30720 | 0.74280 | -my,mx,-mz | -1.94000 | 1.94000 | 0.00000 |
7 | 0.22940 | 0.19280 | 0.75720 | -my,-mx,mz | -1.94000 | -1.94000 | 0.00000 |
8 | 0.77060 | 0.80720 | 0.75720 | my,mx,mz | 1.94000 | 1.94000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Pb1:
Atom | x | y | z |
1 | 0.07798 | 0.12310 | 0.24590 |
2 | 0.57798 | 0.37690 | 0.25410 |
3 | 0.42202 | 0.62310 | 0.25410 |
4 | 0.92202 | 0.87690 | 0.24590 |
5 | 0.12310 | 0.92202 | 0.75410 |
6 | 0.87690 | 0.07798 | 0.75410 |
7 | 0.37690 | 0.42202 | 0.74590 |
8 | 0.62310 | 0.57798 | 0.74590 |
Set of atoms in the unit cell related by symmetry with the atom Pb2:
Atom | x | y | z |
1 | 0.00754 | 0.33043 | 0.79400 |
2 | 0.50754 | 0.16957 | 0.70600 |
3 | 0.49246 | 0.83043 | 0.70600 |
4 | 0.99246 | 0.66957 | 0.79400 |
5 | 0.33043 | 0.99246 | 0.20600 |
6 | 0.66957 | 0.00754 | 0.20600 |
7 | 0.16957 | 0.49246 | 0.29400 |
8 | 0.83043 | 0.50754 | 0.29400 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.31550 | 0.41430 | 0.15600 |
2 | 0.81550 | 0.08570 | 0.34400 |
3 | 0.18450 | 0.91430 | 0.34400 |
4 | 0.68450 | 0.58570 | 0.15600 |
5 | 0.41430 | 0.68450 | 0.84400 |
6 | 0.58570 | 0.31550 | 0.84400 |
7 | 0.08570 | 0.18450 | 0.65600 |
8 | 0.91430 | 0.81550 | 0.65600 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.28020 | 0.14050 | 0.43550 |
2 | 0.78020 | 0.35950 | 0.06450 |
3 | 0.21980 | 0.64050 | 0.06450 |
4 | 0.71980 | 0.85950 | 0.43550 |
5 | 0.14050 | 0.71980 | 0.56450 |
6 | 0.85950 | 0.28020 | 0.56450 |
7 | 0.35950 | 0.21980 | 0.93550 |
8 | 0.64050 | 0.78020 | 0.93550 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.32520 | 0.75670 | 0.42410 |
2 | 0.82520 | 0.74330 | 0.07590 |
3 | 0.17480 | 0.25670 | 0.07590 |
4 | 0.67480 | 0.24330 | 0.42410 |
5 | 0.75670 | 0.67480 | 0.57590 |
6 | 0.24330 | 0.32520 | 0.57590 |
7 | 0.74330 | 0.17480 | 0.92410 |
8 | 0.25670 | 0.82520 | 0.92410 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.27030 | 0.55810 | 0.59930 |
2 | 0.77030 | 0.94190 | 0.90070 |
3 | 0.22970 | 0.05810 | 0.90070 |
4 | 0.72970 | 0.44190 | 0.59930 |
5 | 0.55810 | 0.72970 | 0.40070 |
6 | 0.44190 | 0.27030 | 0.40070 |
7 | 0.94190 | 0.22970 | 0.09930 |
8 | 0.05810 | 0.77030 | 0.09930 |
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