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 Ir2_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.00000 | 0.50000 | mx,my,mz | 0.40000 | 0.00000 | -1.27000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.75000 | 0.50000 | 0.50000 | mx,my,mz | 0.40000 | 0.00000 | -1.27000 |
(0,1/2,0)' + set click here to show and hide |
3 | 0.25000 | 0.50000 | 0.50000 | -mx,-my,-mz | -0.40000 | 0.00000 | 1.27000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.75000 | 0.00000 | 0.50000 | -mx,-my,-mz | -0.40000 | 0.00000 | 1.27000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Ir2_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.25000 | 0.00000 | mx,my,mz | -0.40000 | 0.00000 | 1.27000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.50000 | 0.75000 | 0.00000 | mx,my,mz | -0.40000 | 0.00000 | 1.27000 |
(0,1/2,0)' + set click here to show and hide |
3 | 0.00000 | 0.75000 | 0.00000 | -mx,-my,-mz | 0.40000 | 0.00000 | -1.27000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.50000 | 0.25000 | 0.00000 | -mx,-my,-mz | 0.40000 | 0.00000 | -1.27000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Sr1_1:
Atom | x | y | z |
1 | 0.49660 | 0.01835 | 0.24920 |
2 | 0.00340 | 0.98165 | 0.75080 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.99660 | 0.51835 | 0.24920 |
4 | 0.50340 | 0.48165 | 0.75080 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.49660 | 0.51835 | 0.24920 |
6 | 0.00340 | 0.48165 | 0.75080 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.99660 | 0.01835 | 0.24920 |
8 | 0.50340 | 0.98165 | 0.75080 |
Set of atoms in the unit cell related by symmetry with the atom Sr1_2:
Atom | x | y | z |
1 | 0.75340 | 0.26835 | 0.25080 |
2 | 0.74660 | 0.73165 | 0.74920 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.25340 | 0.76835 | 0.25080 |
4 | 0.24660 | 0.23165 | 0.74920 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.75340 | 0.76835 | 0.25080 |
6 | 0.74660 | 0.23165 | 0.74920 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.25340 | 0.26835 | 0.25080 |
8 | 0.24660 | 0.73165 | 0.74920 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_1:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.75000 | 0.50000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
3 | 0.25000 | 0.50000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.75000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_2:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.50000 | 0.75000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
3 | 0.00000 | 0.75000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.50000 | 0.25000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Ir1_1:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.75000 | 0.50000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
3 | 0.25000 | 0.50000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.75000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Ir1_2:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.50000 | 0.75000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
3 | 0.00000 | 0.75000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.50000 | 0.25000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Ca2_1:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.75000 | 0.50000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
3 | 0.25000 | 0.50000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.75000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Ca2_2:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.50000 | 0.75000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
3 | 0.00000 | 0.75000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.50000 | 0.25000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.03560 | 0.23950 | 0.22990 |
2 | 0.46440 | 0.76050 | 0.77010 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.53560 | 0.73950 | 0.22990 |
4 | 0.96440 | 0.26050 | 0.77010 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.03560 | 0.73950 | 0.22990 |
6 | 0.46440 | 0.26050 | 0.77010 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.53560 | 0.23950 | 0.22990 |
8 | 0.96440 | 0.76050 | 0.77010 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.21440 | 0.48950 | 0.27010 |
2 | 0.28560 | 0.51050 | 0.72990 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.71440 | 0.98950 | 0.27010 |
4 | 0.78560 | 0.01050 | 0.72990 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.21440 | 0.98950 | 0.27010 |
6 | 0.28560 | 0.01050 | 0.72990 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.71440 | 0.48950 | 0.27010 |
8 | 0.78560 | 0.51050 | 0.72990 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.36550 | 0.15365 | 0.03800 |
2 | 0.13450 | 0.84635 | 0.96200 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.86550 | 0.65365 | 0.03800 |
4 | 0.63450 | 0.34635 | 0.96200 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.36550 | 0.65365 | 0.03800 |
6 | 0.13450 | 0.34635 | 0.96200 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.86550 | 0.15365 | 0.03800 |
8 | 0.63450 | 0.84635 | 0.96200 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.88450 | 0.40365 | 0.46200 |
2 | 0.61550 | 0.59635 | 0.53800 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.38450 | 0.90365 | 0.46200 |
4 | 0.11550 | 0.09635 | 0.53800 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.88450 | 0.90365 | 0.46200 |
6 | 0.61550 | 0.09635 | 0.53800 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.38450 | 0.40365 | 0.46200 |
8 | 0.11550 | 0.59635 | 0.53800 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.09540 | 0.11455 | 0.95890 |
2 | 0.40460 | 0.88545 | 0.04110 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.59540 | 0.61455 | 0.95890 |
4 | 0.90460 | 0.38545 | 0.04110 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.09540 | 0.61455 | 0.95890 |
6 | 0.40460 | 0.38545 | 0.04110 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.59540 | 0.11455 | 0.95890 |
8 | 0.90460 | 0.88545 | 0.04110 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.15460 | 0.36455 | 0.54110 |
2 | 0.34540 | 0.63545 | 0.45890 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.65460 | 0.86455 | 0.54110 |
4 | 0.84540 | 0.13545 | 0.45890 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.15460 | 0.86455 | 0.54110 |
6 | 0.34540 | 0.13545 | 0.45890 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.65460 | 0.36455 | 0.54110 |
8 | 0.84540 | 0.63545 | 0.45890 |
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