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 Mn_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | 0,my,mz | 0.00000 | 0.81000 | 1.66000 |
2 | 0.00000 | 0.50000 | 0.00000 | 0,-my,mz | 0.00000 | -0.81000 | 1.66000 |
3 | 0.25000 | 0.75000 | 0.25000 | -my,0,mz | -0.81000 | 0.00000 | 1.66000 |
4 | 0.75000 | 0.75000 | 0.25000 | my,0,mz | 0.81000 | 0.00000 | 1.66000 |
5 | 0.50000 | 0.50000 | 0.50000 | 0,my,mz | 0.00000 | 0.81000 | 1.66000 |
6 | 0.50000 | 0.00000 | 0.50000 | 0,-my,mz | 0.00000 | -0.81000 | 1.66000 |
7 | 0.75000 | 0.25000 | 0.75000 | -my,0,mz | -0.81000 | 0.00000 | 1.66000 |
8 | 0.25000 | 0.25000 | 0.75000 | my,0,mz | 0.81000 | 0.00000 | 1.66000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Tm_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.50000 | 0,my,mz | 0.00000 | -0.05000 | 2.31000 |
2 | 0.00000 | 0.50000 | 0.50000 | 0,-my,mz | 0.00000 | 0.05000 | 2.31000 |
3 | 0.25000 | 0.75000 | 0.75000 | -my,0,mz | 0.05000 | 0.00000 | 2.31000 |
4 | 0.75000 | 0.75000 | 0.75000 | my,0,mz | -0.05000 | 0.00000 | 2.31000 |
5 | 0.50000 | 0.50000 | 0.00000 | 0,my,mz | 0.00000 | -0.05000 | 2.31000 |
6 | 0.50000 | 0.00000 | 0.00000 | 0,-my,mz | 0.00000 | 0.05000 | 2.31000 |
7 | 0.75000 | 0.25000 | 0.25000 | -my,0,mz | 0.05000 | 0.00000 | 2.31000 |
8 | 0.25000 | 0.25000 | 0.25000 | my,0,mz | -0.05000 | 0.00000 | 2.31000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.37500 |
2 | 0.00000 | 0.75000 | 0.62500 |
3 | 0.50000 | 0.75000 | 0.87500 |
4 | 0.50000 | 0.25000 | 0.12500 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.07940 |
2 | 0.00000 | 0.75000 | 0.32940 |
3 | 0.00000 | 0.75000 | 0.92060 |
4 | 0.00000 | 0.25000 | 0.67060 |
5 | 0.50000 | 0.75000 | 0.57940 |
6 | 0.50000 | 0.25000 | 0.82940 |
7 | 0.50000 | 0.25000 | 0.42060 |
8 | 0.50000 | 0.75000 | 0.17060 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.20440 | 0.45440 | 0.87500 |
2 | 0.79560 | 0.04560 | 0.87500 |
3 | 0.79560 | 0.95440 | 0.12500 |
4 | 0.20440 | 0.54560 | 0.12500 |
5 | 0.79560 | 0.54560 | 0.12500 |
6 | 0.20440 | 0.95440 | 0.12500 |
7 | 0.20440 | 0.04560 | 0.87500 |
8 | 0.79560 | 0.45440 | 0.87500 |
9 | 0.70440 | 0.95440 | 0.37500 |
10 | 0.29560 | 0.54560 | 0.37500 |
11 | 0.29560 | 0.45440 | 0.62500 |
12 | 0.70440 | 0.04560 | 0.62500 |
13 | 0.29560 | 0.04560 | 0.62500 |
14 | 0.70440 | 0.45440 | 0.62500 |
15 | 0.70440 | 0.54560 | 0.37500 |
16 | 0.29560 | 0.95440 | 0.37500 |
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