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_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.00000 | 0.00000 | mx,my,mz | 3.00000 | 1.90000 | 3.40000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.50000 | 0.50000 | 0.50000 | mx,my,mz | 3.00000 | 1.90000 | 3.40000 |
(0,0,1/2)' + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.50000 | -mx,-my,-mz | -3.00000 | -1.90000 | -3.40000 |
(0,1/2,0)' + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.00000 | -mx,-my,-mz | -3.00000 | -1.90000 | -3.40000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.25000 | 0.25000 | mx,my,mz | -3.00000 | 1.90000 | -3.40000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.75000 | 0.75000 | mx,my,mz | -3.00000 | 1.90000 | -3.40000 |
(0,0,1/2)' + set click here to show and hide |
3 | 0.00000 | 0.25000 | 0.75000 | -mx,-my,-mz | 3.00000 | -1.90000 | 3.40000 |
(0,1/2,0)' + set click here to show and hide |
4 | 0.00000 | 0.75000 | 0.25000 | -mx,-my,-mz | 3.00000 | -1.90000 | 3.40000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ca1_1:
Atom | x | y | z |
1 | 0.98770 | 0.02675 | 0.12710 |
2 | 0.01230 | 0.97325 | 0.87290 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.98770 | 0.52675 | 0.62710 |
4 | 0.01230 | 0.47325 | 0.37290 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.98770 | 0.02675 | 0.62710 |
6 | 0.01230 | 0.97325 | 0.37290 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.98770 | 0.52675 | 0.12710 |
8 | 0.01230 | 0.47325 | 0.87290 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_2:
Atom | x | y | z |
1 | 0.51230 | 0.27675 | 0.12290 |
2 | 0.48770 | 0.72325 | 0.87710 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.51230 | 0.77675 | 0.62290 |
4 | 0.48770 | 0.22325 | 0.37710 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.51230 | 0.27675 | 0.62290 |
6 | 0.48770 | 0.72325 | 0.37710 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.51230 | 0.77675 | 0.12290 |
8 | 0.48770 | 0.22325 | 0.87710 |
Set of atoms in the unit cell related by symmetry with the atom W1_1:
Atom | x | y | z |
1 | 0.50000 | 0.00000 | 0.25000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.50000 | 0.50000 | 0.75000 |
(0,0,1/2)' + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.75000 |
(0,1/2,0)' + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom W1_2:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.75000 | 0.50000 |
(0,0,1/2)' + set click here to show and hide |
3 | 0.00000 | 0.25000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
4 | 0.00000 | 0.75000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.09690 | 0.23255 | 0.11770 |
2 | 0.90310 | 0.76745 | 0.88230 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.09690 | 0.73255 | 0.61770 |
4 | 0.90310 | 0.26745 | 0.38230 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.09690 | 0.23255 | 0.61770 |
6 | 0.90310 | 0.76745 | 0.38230 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.09690 | 0.73255 | 0.11770 |
8 | 0.90310 | 0.26745 | 0.88230 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.40310 | 0.48255 | 0.13230 |
2 | 0.59690 | 0.51745 | 0.86770 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.40310 | 0.98255 | 0.63230 |
4 | 0.59690 | 0.01745 | 0.36770 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.40310 | 0.48255 | 0.63230 |
6 | 0.59690 | 0.51745 | 0.36770 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.40310 | 0.98255 | 0.13230 |
8 | 0.59690 | 0.01745 | 0.86770 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.71410 | 0.15680 | 0.02265 |
2 | 0.28590 | 0.84320 | 0.97735 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.71410 | 0.65680 | 0.52265 |
4 | 0.28590 | 0.34320 | 0.47735 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.71410 | 0.15680 | 0.52265 |
6 | 0.28590 | 0.84320 | 0.47735 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.71410 | 0.65680 | 0.02265 |
8 | 0.28590 | 0.34320 | 0.97735 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.78590 | 0.40680 | 0.22735 |
2 | 0.21410 | 0.59320 | 0.77265 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.78590 | 0.90680 | 0.72735 |
4 | 0.21410 | 0.09320 | 0.27265 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.78590 | 0.40680 | 0.72735 |
6 | 0.21410 | 0.59320 | 0.27265 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.78590 | 0.90680 | 0.22735 |
8 | 0.21410 | 0.09320 | 0.77265 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.18200 | 0.10925 | 0.47225 |
2 | 0.81800 | 0.89075 | 0.52775 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.18200 | 0.60925 | 0.97225 |
4 | 0.81800 | 0.39075 | 0.02775 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.18200 | 0.10925 | 0.97225 |
6 | 0.81800 | 0.89075 | 0.02775 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.18200 | 0.60925 | 0.47225 |
8 | 0.81800 | 0.39075 | 0.52775 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.31800 | 0.35925 | 0.77775 |
2 | 0.68200 | 0.64075 | 0.22225 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.31800 | 0.85925 | 0.27775 |
4 | 0.68200 | 0.14075 | 0.72225 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.31800 | 0.35925 | 0.27775 |
6 | 0.68200 | 0.64075 | 0.72225 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.31800 | 0.85925 | 0.77775 |
8 | 0.68200 | 0.14075 | 0.22225 |
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