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 Cr1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.16615 | mx,my,mz | 3.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.83385 | mx,my,mz | 3.00000 | 0.00000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.49948 | mx,my,mz | 3.00000 | 0.00000 | 0.00000 |
4 | 0.33333 | 0.66667 | 0.16718 | mx,my,mz | 3.00000 | 0.00000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.83282 | mx,my,mz | 3.00000 | 0.00000 | 0.00000 |
6 | 0.66667 | 0.33333 | 0.50052 | mx,my,mz | 3.00000 | 0.00000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.33282 | -mx,-my,-mz | -3.00000 | 0.00000 | 0.00000 |
8 | 0.66667 | 0.33333 | 0.00052 | -mx,-my,-mz | -3.00000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.00000 | 0.66615 | -mx,-my,-mz | -3.00000 | 0.00000 | 0.00000 |
10 | 0.00000 | 0.00000 | 0.33385 | -mx,-my,-mz | -3.00000 | 0.00000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
11 | 0.33333 | 0.66667 | 0.99948 | -mx,-my,-mz | -3.00000 | 0.00000 | 0.00000 |
12 | 0.33333 | 0.66667 | 0.66718 | -mx,-my,-mz | -3.00000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Cl1_1:
Atom | x | y | z |
1 | 0.65070 | 0.99250 | 0.03785 |
2 | 0.34930 | 0.00750 | 0.96215 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.98403 | 0.65917 | 0.37118 |
4 | 0.68263 | 0.67417 | 0.29548 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.31737 | 0.32583 | 0.70452 |
6 | 0.01597 | 0.34083 | 0.62882 |
(2/3,1/3,1/6)' + set click here to show and hide |
7 | 0.31737 | 0.32583 | 0.20452 |
8 | 0.01597 | 0.34083 | 0.12882 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.65070 | 0.99250 | 0.53785 |
10 | 0.34930 | 0.00750 | 0.46215 |
(1/3,2/3,5/6)' + set click here to show and hide |
11 | 0.98403 | 0.65917 | 0.87118 |
12 | 0.68263 | 0.67417 | 0.79548 |
Set of atoms in the unit cell related by symmetry with the atom Cl1_2:
Atom | x | y | z |
1 | 0.00750 | 0.65820 | 0.03785 |
2 | 0.99250 | 0.34180 | 0.96215 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.34083 | 0.32487 | 0.37118 |
4 | 0.32583 | 0.00847 | 0.29548 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.67417 | 0.99153 | 0.70452 |
6 | 0.65917 | 0.67513 | 0.62882 |
(2/3,1/3,1/6)' + set click here to show and hide |
7 | 0.67417 | 0.99153 | 0.20452 |
8 | 0.65917 | 0.67513 | 0.12882 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00750 | 0.65820 | 0.53785 |
10 | 0.99250 | 0.34180 | 0.46215 |
(1/3,2/3,5/6)' + set click here to show and hide |
11 | 0.34083 | 0.32487 | 0.87118 |
12 | 0.32583 | 0.00847 | 0.79548 |
Set of atoms in the unit cell related by symmetry with the atom Cl1_3:
Atom | x | y | z |
1 | 0.34180 | 0.34930 | 0.03785 |
2 | 0.65820 | 0.65070 | 0.96215 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.67513 | 0.01597 | 0.37118 |
4 | 0.99153 | 0.31737 | 0.29548 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.00847 | 0.68263 | 0.70452 |
6 | 0.32487 | 0.98403 | 0.62882 |
(2/3,1/3,1/6)' + set click here to show and hide |
7 | 0.00847 | 0.68263 | 0.20452 |
8 | 0.32487 | 0.98403 | 0.12882 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.34180 | 0.34930 | 0.53785 |
10 | 0.65820 | 0.65070 | 0.46215 |
(1/3,2/3,5/6)' + set click here to show and hide |
11 | 0.67513 | 0.01597 | 0.87118 |
12 | 0.99153 | 0.31737 | 0.79548 |
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