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 | 0.17350 | 0.25000 | mx,0,mz | 1.00000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.32650 | 0.75000 | mx,0,-mz | 1.00000 | 0.00000 | 0.00000 |
3 | 0.00000 | 0.82650 | 0.75000 | -mx,0,-mz | -1.00000 | 0.00000 | 0.00000 |
4 | 0.50000 | 0.67350 | 0.25000 | -mx,0,mz | -1.00000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ta1:
Atom | x | y | z |
1 | 0.16230 | 0.32930 | 0.75190 |
2 | 0.66230 | 0.17070 | 0.24810 |
3 | 0.16230 | 0.67070 | 0.25190 |
4 | 0.66230 | 0.82930 | 0.74810 |
5 | 0.83770 | 0.32930 | 0.74810 |
6 | 0.33770 | 0.17070 | 0.25190 |
7 | 0.83770 | 0.67070 | 0.24810 |
8 | 0.33770 | 0.82930 | 0.75190 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.09940 | 0.40450 | 0.43060 |
2 | 0.59940 | 0.09550 | 0.56940 |
3 | 0.09940 | 0.59550 | 0.93060 |
4 | 0.59940 | 0.90450 | 0.06940 |
5 | 0.90060 | 0.40450 | 0.06940 |
6 | 0.40060 | 0.09550 | 0.93060 |
7 | 0.90060 | 0.59550 | 0.56940 |
8 | 0.40060 | 0.90450 | 0.43060 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.08290 | 0.10860 | 0.89470 |
2 | 0.58290 | 0.39140 | 0.10530 |
3 | 0.08290 | 0.89140 | 0.39470 |
4 | 0.58290 | 0.60860 | 0.60530 |
5 | 0.91710 | 0.10860 | 0.60530 |
6 | 0.41710 | 0.39140 | 0.39470 |
7 | 0.91710 | 0.89140 | 0.10530 |
8 | 0.41710 | 0.60860 | 0.89470 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.25880 | 0.12920 | 0.58380 |
2 | 0.75880 | 0.37080 | 0.41620 |
3 | 0.25880 | 0.87080 | 0.08380 |
4 | 0.75880 | 0.62920 | 0.91620 |
5 | 0.74120 | 0.12920 | 0.91620 |
6 | 0.24120 | 0.37080 | 0.08380 |
7 | 0.74120 | 0.87080 | 0.41620 |
8 | 0.24120 | 0.62920 | 0.58380 |
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