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 | 0.33333 | 0.00000 | 0.25000 | mx,0,0 | 1.37000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.33333 | 0.25000 | 0,mx,0 | 0.00000 | 1.37000 | 0.00000 |
3 | 0.66667 | 0.66667 | 0.25000 | -mx,-mx,0 | -1.37000 | -1.37000 | 0.00000 |
4 | 0.66667 | 0.00000 | 0.75000 | mx,0,0 | 1.37000 | 0.00000 | 0.00000 |
5 | 0.00000 | 0.66667 | 0.75000 | 0,mx,0 | 0.00000 | 1.37000 | 0.00000 |
6 | 0.33333 | 0.33333 | 0.75000 | -mx,-mx,0 | -1.37000 | -1.37000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Te1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Te1_2:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.25000 |
2 | 0.66666 | 0.33333 | 0.25000 |
3 | 0.66667 | 0.33333 | 0.75000 |
4 | 0.33334 | 0.66667 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.91200 | 0.78580 | 0.63779 |
2 | 0.21420 | 0.12620 | 0.63779 |
3 | 0.87380 | 0.08800 | 0.63779 |
4 | 0.12620 | 0.21420 | 0.86221 |
5 | 0.78580 | 0.91200 | 0.86221 |
6 | 0.08800 | 0.87380 | 0.86221 |
7 | 0.08800 | 0.21420 | 0.36221 |
8 | 0.78580 | 0.87380 | 0.36221 |
9 | 0.12620 | 0.91200 | 0.36221 |
10 | 0.87380 | 0.78580 | 0.13779 |
11 | 0.21420 | 0.08800 | 0.13779 |
12 | 0.91200 | 0.12620 | 0.13779 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.24533 | 0.45247 | 0.63779 |
2 | 0.54753 | 0.79286 | 0.63779 |
3 | 0.20714 | 0.75467 | 0.63779 |
4 | 0.79286 | 0.54753 | 0.86221 |
5 | 0.45247 | 0.24533 | 0.86221 |
6 | 0.75467 | 0.20714 | 0.86221 |
7 | 0.75467 | 0.54753 | 0.36221 |
8 | 0.45247 | 0.20714 | 0.36221 |
9 | 0.79286 | 0.24533 | 0.36221 |
10 | 0.20714 | 0.45247 | 0.13779 |
11 | 0.54753 | 0.75467 | 0.13779 |
12 | 0.24533 | 0.79286 | 0.13779 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.57867 | 0.11913 | 0.63779 |
2 | 0.88087 | 0.45954 | 0.63779 |
3 | 0.54046 | 0.42133 | 0.63779 |
4 | 0.45954 | 0.88087 | 0.86221 |
5 | 0.11913 | 0.57867 | 0.86221 |
6 | 0.42133 | 0.54046 | 0.86221 |
7 | 0.42133 | 0.88087 | 0.36221 |
8 | 0.11913 | 0.54046 | 0.36221 |
9 | 0.45954 | 0.57867 | 0.36221 |
10 | 0.54046 | 0.11913 | 0.13779 |
11 | 0.88087 | 0.42133 | 0.13779 |
12 | 0.57867 | 0.45954 | 0.13779 |
Set of atoms in the unit cell related by symmetry with the atom Li1:
Atom | x | y | z |
1 | 0.33333 | 0.33333 | 0.04840 |
2 | 0.66667 | 0.00000 | 0.04840 |
3 | 0.00000 | 0.66667 | 0.04840 |
4 | 0.00000 | 0.66667 | 0.45160 |
5 | 0.33333 | 0.33333 | 0.45160 |
6 | 0.66667 | 0.00000 | 0.45160 |
7 | 0.66667 | 0.66667 | 0.95160 |
8 | 0.33333 | 0.00000 | 0.95160 |
9 | 0.00000 | 0.33333 | 0.95160 |
10 | 0.00000 | 0.33333 | 0.54840 |
11 | 0.66667 | 0.66667 | 0.54840 |
12 | 0.33333 | 0.00000 | 0.54840 |
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