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 Ce1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | 2my,my,mz | 0.25400 | 0.12700 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.33333 | 2my,my,mz | 0.25400 | 0.12700 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.66667 | 2my,my,mz | 0.25400 | 0.12700 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.83333 | -2my,-my,-mz | -0.25400 | -0.12700 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.16667 | -2my,-my,-mz | -0.25400 | -0.12700 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
6 | 0.00000 | 0.00000 | 0.50000 | -2my,-my,-mz | -0.25400 | -0.12700 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.55250 | 0.00000 | 0.00000 | mx,my,mz | 4.82000 | 2.41000 | 0.00000 |
2 | 0.78083 | 0.11417 | 0.83333 | -mx,-mx+my,-mz | -4.82000 | -2.41000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.88583 | 0.66667 | 0.33333 | mx,my,mz | 4.82000 | 2.41000 | 0.00000 |
4 | 0.11417 | 0.78083 | 0.16667 | -mx,-mx+my,-mz | -4.82000 | -2.41000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.21917 | 0.33333 | 0.66667 | mx,my,mz | 4.82000 | 2.41000 | 0.00000 |
6 | 0.44750 | 0.44750 | 0.50000 | -mx,-mx+my,-mz | -4.82000 | -2.41000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
7 | 0.88583 | 0.66667 | 0.83333 | -mx,-my,-mz | -4.82000 | -2.41000 | 0.00000 |
8 | 0.11417 | 0.78083 | 0.66667 | mx,mx-my,mz | 4.82000 | 2.41000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
9 | 0.21917 | 0.33333 | 0.16667 | -mx,-my,-mz | -4.82000 | -2.41000 | 0.00000 |
10 | 0.44750 | 0.44750 | 0.00000 | mx,mx-my,mz | 4.82000 | 2.41000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.55250 | 0.00000 | 0.50000 | -mx,-my,-mz | -4.82000 | -2.41000 | 0.00000 |
12 | 0.78083 | 0.11417 | 0.33333 | mx,mx-my,mz | 4.82000 | 2.41000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.55250 | 0.00000 | 2my,my,mz | 4.82000 | 2.41000 | 0.00000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.21917 | 0.33333 | 2my,my,mz | 4.82000 | 2.41000 | 0.00000 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.88583 | 0.66667 | 2my,my,mz | 4.82000 | 2.41000 | 0.00000 |
(1/3,2/3,5/6)' + set click here to show and hide |
4 | 0.33333 | 0.21917 | 0.83333 | -2my,-my,-mz | -4.82000 | -2.41000 | 0.00000 |
(2/3,1/3,1/6)' + set click here to show and hide |
5 | 0.66667 | 0.88583 | 0.16667 | -2my,-my,-mz | -4.82000 | -2.41000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
6 | 0.00000 | 0.55250 | 0.50000 | -2my,-my,-mz | -4.82000 | -2.41000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.85660 | 0.00000 | 0.25000 |
2 | 0.47673 | 0.81007 | 0.58333 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.18993 | 0.66667 | 0.58333 |
4 | 0.81007 | 0.47673 | 0.91667 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.52327 | 0.33333 | 0.91667 |
6 | 0.14340 | 0.14340 | 0.25000 |
(1/3,2/3,5/6)' + set click here to show and hide |
7 | 0.18993 | 0.66667 | 0.08333 |
8 | 0.81007 | 0.47673 | 0.41667 |
(2/3,1/3,1/6)' + set click here to show and hide |
9 | 0.52327 | 0.33333 | 0.41667 |
10 | 0.14340 | 0.14340 | 0.75000 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.85660 | 0.00000 | 0.75000 |
12 | 0.47673 | 0.81007 | 0.08333 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.00000 | 0.85660 | 0.25000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.52327 | 0.58333 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.18993 | 0.91667 |
(1/3,2/3,5/6)' + set click here to show and hide |
4 | 0.33333 | 0.52327 | 0.08333 |
(2/3,1/3,1/6)' + set click here to show and hide |
5 | 0.66667 | 0.18993 | 0.41667 |
(0,0,1/2)' + set click here to show and hide |
6 | 0.00000 | 0.85660 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.58920 | 0.00000 | 0.25000 |
2 | 0.74413 | 0.07747 | 0.58333 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.92253 | 0.66667 | 0.58333 |
4 | 0.07747 | 0.74413 | 0.91667 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.25587 | 0.33333 | 0.91667 |
6 | 0.41080 | 0.41080 | 0.25000 |
(1/3,2/3,5/6)' + set click here to show and hide |
7 | 0.92253 | 0.66667 | 0.08333 |
8 | 0.07747 | 0.74413 | 0.41667 |
(2/3,1/3,1/6)' + set click here to show and hide |
9 | 0.25587 | 0.33333 | 0.41667 |
10 | 0.41080 | 0.41080 | 0.75000 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.58920 | 0.00000 | 0.75000 |
12 | 0.74413 | 0.07747 | 0.08333 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.00000 | 0.58920 | 0.25000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.25587 | 0.58333 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.92253 | 0.91667 |
(1/3,2/3,5/6)' + set click here to show and hide |
4 | 0.33333 | 0.25587 | 0.08333 |
(2/3,1/3,1/6)' + set click here to show and hide |
5 | 0.66667 | 0.92253 | 0.41667 |
(0,0,1/2)' + set click here to show and hide |
6 | 0.00000 | 0.58920 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.44990 | 0.14280 | 0.25965 |
2 | 0.88343 | 0.35957 | 0.57368 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.78323 | 0.80947 | 0.59298 |
4 | 0.21677 | 0.02623 | 0.90702 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.11657 | 0.47613 | 0.92632 |
6 | 0.55010 | 0.69290 | 0.24035 |
(1/3,2/3,5/6)' + set click here to show and hide |
7 | 0.78323 | 0.80947 | 0.09298 |
8 | 0.21677 | 0.02623 | 0.40702 |
(2/3,1/3,1/6)' + set click here to show and hide |
9 | 0.11657 | 0.47613 | 0.42632 |
10 | 0.55010 | 0.69290 | 0.74035 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.44990 | 0.14280 | 0.75965 |
12 | 0.88343 | 0.35957 | 0.07368 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.85720 | 0.30710 | 0.25965 |
2 | 0.47613 | 0.11657 | 0.57368 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.19053 | 0.97377 | 0.59298 |
4 | 0.80947 | 0.78323 | 0.90702 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.52387 | 0.64043 | 0.92632 |
6 | 0.14280 | 0.44990 | 0.24035 |
(1/3,2/3,5/6)' + set click here to show and hide |
7 | 0.19053 | 0.97377 | 0.09298 |
8 | 0.80947 | 0.78323 | 0.40702 |
(2/3,1/3,1/6)' + set click here to show and hide |
9 | 0.52387 | 0.64043 | 0.42632 |
10 | 0.14280 | 0.44990 | 0.74035 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.85720 | 0.30710 | 0.75965 |
12 | 0.47613 | 0.11657 | 0.07368 |
Set of atoms in the unit cell related by symmetry with the atom O3_3:
Atom | x | y | z |
1 | 0.69290 | 0.55010 | 0.25965 |
2 | 0.64043 | 0.52387 | 0.57368 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.02623 | 0.21677 | 0.59298 |
4 | 0.97377 | 0.19053 | 0.90702 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.35957 | 0.88343 | 0.92632 |
6 | 0.30710 | 0.85720 | 0.24035 |
(1/3,2/3,5/6)' + set click here to show and hide |
7 | 0.02623 | 0.21677 | 0.09298 |
8 | 0.97377 | 0.19053 | 0.40702 |
(2/3,1/3,1/6)' + set click here to show and hide |
9 | 0.35957 | 0.88343 | 0.42632 |
10 | 0.30710 | 0.85720 | 0.74035 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.69290 | 0.55010 | 0.75965 |
12 | 0.64043 | 0.52387 | 0.07368 |
Set of atoms in the unit cell related by symmetry with the atom B1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.58333 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.91667 |
(1/3,2/3,5/6)' + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.08333 |
(2/3,1/3,1/6)' + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.41667 |
(0,0,1/2)' + set click here to show and hide |
6 | 0.00000 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom B2_1:
Atom | x | y | z |
1 | 0.44730 | 0.00000 | 0.25000 |
2 | 0.88603 | 0.21937 | 0.58333 |
(1/3,2/3,1/3) + set click here to show and hide |
3 | 0.78063 | 0.66667 | 0.58333 |
4 | 0.21937 | 0.88603 | 0.91667 |
(2/3,1/3,2/3) + set click here to show and hide |
5 | 0.11397 | 0.33333 | 0.91667 |
6 | 0.55270 | 0.55270 | 0.25000 |
(1/3,2/3,5/6)' + set click here to show and hide |
7 | 0.78063 | 0.66667 | 0.08333 |
8 | 0.21937 | 0.88603 | 0.41667 |
(2/3,1/3,1/6)' + set click here to show and hide |
9 | 0.11397 | 0.33333 | 0.41667 |
10 | 0.55270 | 0.55270 | 0.75000 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.44730 | 0.00000 | 0.75000 |
12 | 0.88603 | 0.21937 | 0.08333 |
Set of atoms in the unit cell related by symmetry with the atom B2_2:
Atom | x | y | z |
1 | 0.00000 | 0.44730 | 0.25000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.11397 | 0.58333 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.78063 | 0.91667 |
(1/3,2/3,5/6)' + set click here to show and hide |
4 | 0.33333 | 0.11397 | 0.08333 |
(2/3,1/3,1/6)' + set click here to show and hide |
5 | 0.66667 | 0.78063 | 0.41667 |
(0,0,1/2)' + set click here to show and hide |
6 | 0.00000 | 0.44730 | 0.75000 |
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