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 | 0.17690 | 0.25000 | mx,0,mz | 3.75000 | 0.00000 | 2.66000 |
2 | 0.50000 | 0.32310 | 0.75000 | mx,0,-mz | 3.75000 | 0.00000 | -2.66000 |
3 | 0.00000 | 0.82310 | 0.75000 | -mx,0,-mz | -3.75000 | 0.00000 | -2.66000 |
4 | 0.50000 | 0.67690 | 0.25000 | -mx,0,mz | -3.75000 | 0.00000 | 2.66000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Nb1:
Atom | x | y | z |
1 | 0.16270 | 0.32330 | 0.76430 |
2 | 0.66270 | 0.17670 | 0.23570 |
3 | 0.16270 | 0.67670 | 0.26430 |
4 | 0.66270 | 0.82330 | 0.73570 |
5 | 0.83730 | 0.32330 | 0.73570 |
6 | 0.33730 | 0.17670 | 0.26430 |
7 | 0.83730 | 0.67670 | 0.23570 |
8 | 0.33730 | 0.82330 | 0.76430 |
Set of atoms in the unit cell related by symmetry with the atom Ta1:
Atom | x | y | z |
1 | 0.16270 | 0.32330 | 0.76430 |
2 | 0.66270 | 0.17670 | 0.23570 |
3 | 0.16270 | 0.67670 | 0.26430 |
4 | 0.66270 | 0.82330 | 0.73570 |
5 | 0.83730 | 0.32330 | 0.73570 |
6 | 0.33730 | 0.17670 | 0.26430 |
7 | 0.83730 | 0.67670 | 0.23570 |
8 | 0.33730 | 0.82330 | 0.76430 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.09930 | 0.40190 | 0.44220 |
2 | 0.59930 | 0.09810 | 0.55780 |
3 | 0.09930 | 0.59810 | 0.94220 |
4 | 0.59930 | 0.90190 | 0.05780 |
5 | 0.90070 | 0.40190 | 0.05780 |
6 | 0.40070 | 0.09810 | 0.94220 |
7 | 0.90070 | 0.59810 | 0.55780 |
8 | 0.40070 | 0.90190 | 0.44220 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.08280 | 0.11590 | 0.90220 |
2 | 0.58280 | 0.38410 | 0.09780 |
3 | 0.08280 | 0.88410 | 0.40220 |
4 | 0.58280 | 0.61590 | 0.59780 |
5 | 0.91720 | 0.11590 | 0.59780 |
6 | 0.41720 | 0.38410 | 0.40220 |
7 | 0.91720 | 0.88410 | 0.09780 |
8 | 0.41720 | 0.61590 | 0.90220 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.25620 | 0.12660 | 0.59130 |
2 | 0.75620 | 0.37340 | 0.40870 |
3 | 0.25620 | 0.87340 | 0.09130 |
4 | 0.75620 | 0.62660 | 0.90870 |
5 | 0.74380 | 0.12660 | 0.90870 |
6 | 0.24380 | 0.37340 | 0.09130 |
7 | 0.74380 | 0.87340 | 0.40870 |
8 | 0.24380 | 0.62660 | 0.59130 |
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