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 | 0.08725 | 0.25000 | mx,my,mz | 1.75000 | 2.45000 | 3.86000 |
2 | 0.25000 | 0.91275 | 0.50000 | -mx,my,-mz | -1.75000 | 2.45000 | -3.86000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.58725 | 0.75000 | mx,my,mz | 1.75000 | 2.45000 | 3.86000 |
4 | 0.25000 | 0.41275 | 0.00000 | -mx,my,-mz | -1.75000 | 2.45000 | -3.86000 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.08725 | 0.75000 | mx,my,mz | 1.75000 | 2.45000 | 3.86000 |
6 | 0.75000 | 0.91275 | 0.00000 | -mx,my,-mz | -1.75000 | 2.45000 | -3.86000 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.58725 | 0.25000 | mx,my,mz | 1.75000 | 2.45000 | 3.86000 |
8 | 0.75000 | 0.41275 | 0.50000 | -mx,my,-mz | -1.75000 | 2.45000 | -3.86000 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.08725 | 0.75000 | -mx,-my,-mz | -1.75000 | -2.45000 | -3.86000 |
10 | 0.25000 | 0.91275 | 0.00000 | mx,-my,mz | 1.75000 | -2.45000 | 3.86000 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.58725 | 0.25000 | -mx,-my,-mz | -1.75000 | -2.45000 | -3.86000 |
12 | 0.25000 | 0.41275 | 0.50000 | mx,-my,mz | 1.75000 | -2.45000 | 3.86000 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.08725 | 0.25000 | -mx,-my,-mz | -1.75000 | -2.45000 | -3.86000 |
14 | 0.75000 | 0.91275 | 0.50000 | mx,-my,mz | 1.75000 | -2.45000 | 3.86000 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.58725 | 0.75000 | -mx,-my,-mz | -1.75000 | -2.45000 | -3.86000 |
16 | 0.75000 | 0.41275 | 0.00000 | mx,-my,mz | 1.75000 | -2.45000 | 3.86000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Li1_1:
Atom | x | y | z |
1 | 0.12495 | 0.16550 | 0.00010 |
2 | 0.37495 | 0.83450 | 0.25010 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.12495 | 0.66550 | 0.50010 |
4 | 0.37495 | 0.33450 | 0.75010 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.62495 | 0.16550 | 0.50010 |
6 | 0.87495 | 0.83450 | 0.75010 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.62495 | 0.66550 | 0.00010 |
8 | 0.87495 | 0.33450 | 0.25010 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.12495 | 0.16550 | 0.50010 |
10 | 0.37495 | 0.83450 | 0.75010 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.12495 | 0.66550 | 0.00010 |
12 | 0.37495 | 0.33450 | 0.25010 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.62495 | 0.16550 | 0.00010 |
14 | 0.87495 | 0.83450 | 0.25010 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.62495 | 0.66550 | 0.50010 |
16 | 0.87495 | 0.33450 | 0.75010 |
Set of atoms in the unit cell related by symmetry with the atom Li1_2:
Atom | x | y | z |
1 | 0.12505 | 0.83450 | 0.25010 |
2 | 0.37505 | 0.16550 | 0.50010 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.12505 | 0.33450 | 0.75010 |
4 | 0.37505 | 0.66550 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.62505 | 0.83450 | 0.75010 |
6 | 0.87505 | 0.16550 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.62505 | 0.33450 | 0.25010 |
8 | 0.87505 | 0.66550 | 0.50010 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.12505 | 0.83450 | 0.75010 |
10 | 0.37505 | 0.16550 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.12505 | 0.33450 | 0.25010 |
12 | 0.37505 | 0.66550 | 0.50010 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.62505 | 0.83450 | 0.25010 |
14 | 0.87505 | 0.16550 | 0.50010 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.62505 | 0.33450 | 0.75010 |
16 | 0.87505 | 0.66550 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Ge1:
Atom | x | y | z |
1 | 0.00000 | 0.41095 | 0.00480 |
2 | 0.25000 | 0.58905 | 0.25480 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.91095 | 0.50480 |
4 | 0.25000 | 0.08905 | 0.75480 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.41095 | 0.50480 |
6 | 0.75000 | 0.58905 | 0.75480 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.91095 | 0.00480 |
8 | 0.75000 | 0.08905 | 0.25480 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.41095 | 0.50480 |
10 | 0.25000 | 0.58905 | 0.75480 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.91095 | 0.00480 |
12 | 0.25000 | 0.08905 | 0.25480 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.41095 | 0.00480 |
14 | 0.75000 | 0.58905 | 0.25480 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.91095 | 0.50480 |
16 | 0.75000 | 0.08905 | 0.75480 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.11135 | 0.33645 | 0.44665 |
2 | 0.36135 | 0.66355 | 0.69665 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.11135 | 0.83645 | 0.94665 |
4 | 0.36135 | 0.16355 | 0.19665 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.61135 | 0.33645 | 0.94665 |
6 | 0.86135 | 0.66355 | 0.19665 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.61135 | 0.83645 | 0.44665 |
8 | 0.86135 | 0.16355 | 0.69665 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.11135 | 0.33645 | 0.94665 |
10 | 0.36135 | 0.66355 | 0.19665 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.11135 | 0.83645 | 0.44665 |
12 | 0.36135 | 0.16355 | 0.69665 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.61135 | 0.33645 | 0.44665 |
14 | 0.86135 | 0.66355 | 0.69665 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.61135 | 0.83645 | 0.94665 |
16 | 0.86135 | 0.16355 | 0.19665 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.13865 | 0.66355 | 0.69665 |
2 | 0.38865 | 0.33645 | 0.94665 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.13865 | 0.16355 | 0.19665 |
4 | 0.38865 | 0.83645 | 0.44665 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.63865 | 0.66355 | 0.19665 |
6 | 0.88865 | 0.33645 | 0.44665 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.63865 | 0.16355 | 0.69665 |
8 | 0.88865 | 0.83645 | 0.94665 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.13865 | 0.66355 | 0.19665 |
10 | 0.38865 | 0.33645 | 0.44665 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.13865 | 0.16355 | 0.69665 |
12 | 0.38865 | 0.83645 | 0.94665 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.63865 | 0.66355 | 0.69665 |
14 | 0.88865 | 0.33645 | 0.94665 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.63865 | 0.16355 | 0.19665 |
16 | 0.88865 | 0.83645 | 0.44665 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.00000 | 0.06645 | 0.45415 |
2 | 0.25000 | 0.93355 | 0.70415 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.56645 | 0.95415 |
4 | 0.25000 | 0.43355 | 0.20415 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.06645 | 0.95415 |
6 | 0.75000 | 0.93355 | 0.20415 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.56645 | 0.45415 |
8 | 0.75000 | 0.43355 | 0.70415 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.06645 | 0.95415 |
10 | 0.25000 | 0.93355 | 0.20415 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.56645 | 0.45415 |
12 | 0.25000 | 0.43355 | 0.70415 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.06645 | 0.45415 |
14 | 0.75000 | 0.93355 | 0.70415 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.56645 | 0.95415 |
16 | 0.75000 | 0.43355 | 0.20415 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.00000 | 0.40895 | 0.17920 |
2 | 0.25000 | 0.59105 | 0.42920 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.90895 | 0.67920 |
4 | 0.25000 | 0.09105 | 0.92920 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.40895 | 0.67920 |
6 | 0.75000 | 0.59105 | 0.92920 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.90895 | 0.17920 |
8 | 0.75000 | 0.09105 | 0.42920 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.40895 | 0.67920 |
10 | 0.25000 | 0.59105 | 0.92920 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.90895 | 0.17920 |
12 | 0.25000 | 0.09105 | 0.42920 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.40895 | 0.17920 |
14 | 0.75000 | 0.59105 | 0.42920 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.90895 | 0.67920 |
16 | 0.75000 | 0.09105 | 0.92920 |
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