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 Ir1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | mx,my,mz | -0.33000 | -0.64000 | 0.41000 |
(1/3,1/3,2/3) + set click here to show and hide |
2 | 0.33333 | 0.33333 | 0.66667 | mx,my,mz | -0.33000 | -0.64000 | 0.41000 |
(2/3,2/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.66667 | 0.33333 | mx,my,mz | -0.33000 | -0.64000 | 0.41000 |
(2/3,1/6,1/3)' + set click here to show and hide |
4 | 0.66667 | 0.16667 | 0.33333 | -mx,-my,-mz | 0.33000 | 0.64000 | -0.41000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.00000 | -mx,-my,-mz | 0.33000 | 0.64000 | -0.41000 |
(1/3,5/6,2/3)' + set click here to show and hide |
6 | 0.33333 | 0.83333 | 0.66667 | -mx,-my,-mz | 0.33000 | 0.64000 | -0.41000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Ir2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.50000 | mx,my,mz | 0.32000 | 0.63000 | -0.34000 |
(1/3,1/3,2/3) + set click here to show and hide |
2 | 0.33333 | 0.33333 | 0.16667 | mx,my,mz | 0.32000 | 0.63000 | -0.34000 |
(2/3,2/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.66667 | 0.83333 | mx,my,mz | 0.32000 | 0.63000 | -0.34000 |
(2/3,1/6,1/3)' + set click here to show and hide |
4 | 0.66667 | 0.16667 | 0.83333 | -mx,-my,-mz | -0.32000 | -0.63000 | 0.34000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.50000 | -mx,-my,-mz | -0.32000 | -0.63000 | 0.34000 |
(1/3,5/6,2/3)' + set click here to show and hide |
6 | 0.33333 | 0.83333 | 0.16667 | -mx,-my,-mz | -0.32000 | -0.63000 | 0.34000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Sr1_1:
Atom | x | y | z |
1 | 0.30320 | 0.16675 | 0.08320 |
2 | 0.69680 | 0.83325 | 0.91680 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.63653 | 0.50008 | 0.74987 |
4 | 0.03013 | 0.16658 | 0.58347 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.96987 | 0.83342 | 0.41653 |
6 | 0.36347 | 0.49992 | 0.25013 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.96987 | 0.33342 | 0.41653 |
8 | 0.36347 | 0.00000 | 0.25013 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.30320 | 0.66675 | 0.08320 |
10 | 0.69680 | 0.33325 | 0.91680 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.63653 | 0.00000 | 0.74987 |
12 | 0.03013 | 0.66658 | 0.58347 |
Set of atoms in the unit cell related by symmetry with the atom Sr1_2:
Atom | x | y | z |
1 | 0.66650 | 0.98485 | 0.08320 |
2 | 0.33350 | 0.01515 | 0.91680 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.99983 | 0.31818 | 0.74987 |
4 | 0.66683 | 0.34848 | 0.58347 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.33317 | 0.65152 | 0.41653 |
6 | 0.00017 | 0.68182 | 0.25013 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.33317 | 0.15152 | 0.41653 |
8 | 0.00017 | 0.18182 | 0.25013 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.66650 | 0.48485 | 0.08320 |
10 | 0.33350 | 0.51515 | 0.91680 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.99983 | 0.81818 | 0.74987 |
12 | 0.66683 | 0.84848 | 0.58347 |
Set of atoms in the unit cell related by symmetry with the atom Sr1_3:
Atom | x | y | z |
1 | 0.03030 | 0.84840 | 0.08320 |
2 | 0.96970 | 0.15160 | 0.91680 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.36363 | 0.18173 | 0.74987 |
4 | 0.30303 | 0.48493 | 0.58347 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.69697 | 0.51507 | 0.41653 |
6 | 0.63637 | 0.81827 | 0.25013 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.69697 | 0.01507 | 0.41653 |
8 | 0.63637 | 0.31827 | 0.25013 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.03030 | 0.34840 | 0.08320 |
10 | 0.96970 | 0.65160 | 0.91680 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.36363 | 0.68173 | 0.74987 |
12 | 0.30303 | 0.98493 | 0.58347 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_1:
Atom | x | y | z |
1 | 0.30320 | 0.16675 | 0.08320 |
2 | 0.69680 | 0.83325 | 0.91680 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.63653 | 0.50008 | 0.74987 |
4 | 0.03013 | 0.16658 | 0.58347 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.96987 | 0.83342 | 0.41653 |
6 | 0.36347 | 0.49992 | 0.25013 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.96987 | 0.33342 | 0.41653 |
8 | 0.36347 | 0.00000 | 0.25013 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.30320 | 0.66675 | 0.08320 |
10 | 0.69680 | 0.33325 | 0.91680 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.63653 | 0.00000 | 0.74987 |
12 | 0.03013 | 0.66658 | 0.58347 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_2:
Atom | x | y | z |
1 | 0.66650 | 0.98485 | 0.08320 |
2 | 0.33350 | 0.01515 | 0.91680 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.99983 | 0.31818 | 0.74987 |
4 | 0.66683 | 0.34848 | 0.58347 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.33317 | 0.65152 | 0.41653 |
6 | 0.00017 | 0.68182 | 0.25013 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.33317 | 0.15152 | 0.41653 |
8 | 0.00017 | 0.18182 | 0.25013 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.66650 | 0.48485 | 0.08320 |
10 | 0.33350 | 0.51515 | 0.91680 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.99983 | 0.81818 | 0.74987 |
12 | 0.66683 | 0.84848 | 0.58347 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_3:
Atom | x | y | z |
1 | 0.03030 | 0.84840 | 0.08320 |
2 | 0.96970 | 0.15160 | 0.91680 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.36363 | 0.18173 | 0.74987 |
4 | 0.30303 | 0.48493 | 0.58347 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.69697 | 0.51507 | 0.41653 |
6 | 0.63637 | 0.81827 | 0.25013 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.69697 | 0.01507 | 0.41653 |
8 | 0.63637 | 0.31827 | 0.25013 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.03030 | 0.34840 | 0.08320 |
10 | 0.96970 | 0.65160 | 0.91680 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.36363 | 0.68173 | 0.74987 |
12 | 0.30303 | 0.98493 | 0.58347 |
Set of atoms in the unit cell related by symmetry with the atom Ca2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25050 |
2 | 0.00000 | 0.00000 | 0.74950 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.91717 |
4 | 0.33333 | 0.33333 | 0.41617 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.58383 |
6 | 0.66667 | 0.66667 | 0.08283 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.66667 | 0.16667 | 0.58383 |
8 | 0.66667 | 0.16667 | 0.08283 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.00000 | 0.50000 | 0.25050 |
10 | 0.00000 | 0.50000 | 0.74950 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.33333 | 0.83333 | 0.91717 |
12 | 0.33333 | 0.83333 | 0.41617 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.84320 | 0.40805 | 0.10500 |
2 | 0.15680 | 0.59195 | 0.89500 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.17653 | 0.74138 | 0.77167 |
4 | 0.49013 | 0.92528 | 0.56167 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.50987 | 0.07472 | 0.43833 |
6 | 0.82347 | 0.25862 | 0.22833 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.50987 | 0.57472 | 0.43833 |
8 | 0.82347 | 0.75862 | 0.22833 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.84320 | 0.90805 | 0.10500 |
10 | 0.15680 | 0.09195 | 0.89500 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.17653 | 0.24138 | 0.77167 |
12 | 0.49013 | 0.42528 | 0.56167 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.18390 | 0.01355 | 0.10500 |
2 | 0.81610 | 0.98645 | 0.89500 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.51723 | 0.34688 | 0.77167 |
4 | 0.14943 | 0.31978 | 0.56167 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.85057 | 0.68022 | 0.43833 |
6 | 0.48277 | 0.65312 | 0.22833 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.85057 | 0.18022 | 0.43833 |
8 | 0.48277 | 0.15312 | 0.22833 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.18390 | 0.51355 | 0.10500 |
10 | 0.81610 | 0.48645 | 0.89500 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.51723 | 0.84688 | 0.77167 |
12 | 0.14943 | 0.81978 | 0.56167 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.97290 | 0.57840 | 0.10500 |
2 | 0.02710 | 0.42160 | 0.89500 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.30623 | 0.91173 | 0.77167 |
4 | 0.36043 | 0.75493 | 0.56167 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.63957 | 0.24507 | 0.43833 |
6 | 0.69377 | 0.08827 | 0.22833 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.63957 | 0.74507 | 0.43833 |
8 | 0.69377 | 0.58827 | 0.22833 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.97290 | 0.07840 | 0.10500 |
10 | 0.02710 | 0.92160 | 0.89500 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.30623 | 0.41173 | 0.77167 |
12 | 0.36043 | 0.25493 | 0.56167 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.36070 | 0.42515 | 0.06120 |
2 | 0.63930 | 0.57485 | 0.93880 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.69403 | 0.75848 | 0.72787 |
4 | 0.97263 | 0.90818 | 0.60547 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.02737 | 0.09182 | 0.39453 |
6 | 0.30597 | 0.24152 | 0.27213 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.02737 | 0.59182 | 0.39453 |
8 | 0.30597 | 0.74152 | 0.27213 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.36070 | 0.92515 | 0.06120 |
10 | 0.63930 | 0.07485 | 0.93880 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.69403 | 0.25848 | 0.72787 |
12 | 0.97263 | 0.40818 | 0.60547 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.14970 | 0.75520 | 0.06120 |
2 | 0.85030 | 0.24480 | 0.93880 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.48303 | 0.08853 | 0.72787 |
4 | 0.18363 | 0.57813 | 0.60547 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.81637 | 0.42187 | 0.39453 |
6 | 0.51697 | 0.91147 | 0.27213 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.81637 | 0.92187 | 0.39453 |
8 | 0.51697 | 0.41147 | 0.27213 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.14970 | 0.25520 | 0.06120 |
10 | 0.85030 | 0.74480 | 0.93880 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.48303 | 0.58853 | 0.72787 |
12 | 0.18363 | 0.07813 | 0.60547 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.48960 | 0.81965 | 0.06120 |
2 | 0.51040 | 0.18035 | 0.93880 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.82293 | 0.15298 | 0.72787 |
4 | 0.84373 | 0.51368 | 0.60547 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.15627 | 0.48632 | 0.39453 |
6 | 0.17707 | 0.84702 | 0.27213 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.15627 | 0.98632 | 0.39453 |
8 | 0.17707 | 0.34702 | 0.27213 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.48960 | 0.31965 | 0.06120 |
10 | 0.51040 | 0.68035 | 0.93880 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.82293 | 0.65298 | 0.72787 |
12 | 0.84373 | 0.01368 | 0.60547 |
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