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 Nd1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.98731 | 0.98731 | 0.36104 | mx,mx,mz | 1.15000 | 1.15000 | 0.00000 |
2 | 0.51269 | 0.98731 | 0.86104 | -mx,mx,mz | -1.15000 | 1.15000 | 0.00000 |
3 | 0.98731 | 0.51269 | 0.86104 | mx,-mx,mz | 1.15000 | -1.15000 | 0.00000 |
4 | 0.51269 | 0.51269 | 0.36104 | -mx,-mx,mz | -1.15000 | -1.15000 | 0.00000 |
5 | 0.01269 | 0.01269 | 0.63896 | mx,mx,mz | 1.15000 | 1.15000 | 0.00000 |
6 | 0.48731 | 0.01269 | 0.13896 | -mx,mx,mz | -1.15000 | 1.15000 | 0.00000 |
7 | 0.01269 | 0.48731 | 0.13896 | mx,-mx,mz | 1.15000 | -1.15000 | 0.00000 |
8 | 0.48731 | 0.48731 | 0.63896 | -mx,-mx,mz | -1.15000 | -1.15000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,mx,mz | 0.81000 | 0.81000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.50000 | -mx,mx,mz | -0.81000 | 0.81000 | 0.00000 |
3 | 0.00000 | 0.50000 | 0.50000 | mx,-mx,mz | 0.81000 | -0.81000 | 0.00000 |
4 | 0.50000 | 0.50000 | 0.00000 | -mx,-mx,mz | -0.81000 | -0.81000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.97660 |
2 | 0.25000 | 0.25000 | 0.47660 |
3 | 0.75000 | 0.75000 | 0.02340 |
4 | 0.75000 | 0.75000 | 0.52340 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.04730 | 0.04730 | 0.17790 |
2 | 0.45270 | 0.04730 | 0.67790 |
3 | 0.04730 | 0.45270 | 0.67790 |
4 | 0.45270 | 0.45270 | 0.17790 |
5 | 0.95270 | 0.95270 | 0.82210 |
6 | 0.54730 | 0.95270 | 0.32210 |
7 | 0.95270 | 0.54730 | 0.32210 |
8 | 0.54730 | 0.54730 | 0.82210 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.75000 | 0.25000 | 0.00000 |
2 | 0.25000 | 0.75000 | 0.50000 |
3 | 0.25000 | 0.75000 | 0.00000 |
4 | 0.75000 | 0.25000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.75000 | 0.25000 | 0.75000 |
2 | 0.25000 | 0.75000 | 0.25000 |
3 | 0.25000 | 0.75000 | 0.75000 |
4 | 0.75000 | 0.25000 | 0.25000 |
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