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 Cu1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.84050 | 0.12500 | 0.10630 | mx,my,mz | 0.00000 | 0.00000 | 0.55000 |
2 | 0.34050 | 0.62500 | 0.14370 | mx,-my,-mz | 0.00000 | 0.00000 | -0.55000 |
3 | 0.15950 | 0.87500 | 0.89370 | mx,my,mz | 0.00000 | 0.00000 | 0.55000 |
4 | 0.65950 | 0.87500 | 0.35630 | mx,-my,-mz | 0.00000 | 0.00000 | -0.55000 |
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5 | 0.84050 | 0.62500 | 0.60630 | mx,my,mz | 0.00000 | 0.00000 | 0.55000 |
6 | 0.34050 | 0.12500 | 0.64370 | mx,-my,-mz | 0.00000 | 0.00000 | -0.55000 |
7 | 0.15950 | 0.37500 | 0.39370 | mx,my,mz | 0.00000 | 0.00000 | 0.55000 |
8 | 0.65950 | 0.37500 | 0.85630 | mx,-my,-mz | 0.00000 | 0.00000 | -0.55000 |
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9 | 0.84050 | 0.62500 | 0.10630 | -mx,-my,-mz | 0.00000 | 0.00000 | -0.55000 |
10 | 0.34050 | 0.12500 | 0.14370 | -mx,my,mz | 0.00000 | 0.00000 | 0.55000 |
11 | 0.15950 | 0.37500 | 0.89370 | -mx,-my,-mz | 0.00000 | 0.00000 | -0.55000 |
12 | 0.65950 | 0.37500 | 0.35630 | -mx,my,mz | 0.00000 | 0.00000 | 0.55000 |
(0,0,1/2)' + set click here to show and hide |
13 | 0.84050 | 0.12500 | 0.60630 | -mx,-my,-mz | 0.00000 | 0.00000 | -0.55000 |
14 | 0.34050 | 0.62500 | 0.64370 | -mx,my,mz | 0.00000 | 0.00000 | 0.55000 |
15 | 0.15950 | 0.87500 | 0.39370 | -mx,-my,-mz | 0.00000 | 0.00000 | -0.55000 |
16 | 0.65950 | 0.87500 | 0.85630 | -mx,my,mz | 0.00000 | 0.00000 | 0.55000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.09520 | 0.12500 | 0.03492 |
2 | 0.59520 | 0.62500 | 0.21508 |
3 | 0.90480 | 0.87500 | 0.96508 |
4 | 0.40480 | 0.87500 | 0.28492 |
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5 | 0.09520 | 0.62500 | 0.53492 |
6 | 0.59520 | 0.12500 | 0.71508 |
7 | 0.90480 | 0.37500 | 0.46508 |
8 | 0.40480 | 0.37500 | 0.78492 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.09520 | 0.62500 | 0.03492 |
10 | 0.59520 | 0.12500 | 0.21508 |
11 | 0.90480 | 0.37500 | 0.96508 |
12 | 0.40480 | 0.37500 | 0.28492 |
(0,0,1/2)' + set click here to show and hide |
13 | 0.09520 | 0.12500 | 0.53492 |
14 | 0.59520 | 0.62500 | 0.71508 |
15 | 0.90480 | 0.87500 | 0.46508 |
16 | 0.40480 | 0.87500 | 0.78492 |
Set of atoms in the unit cell related by symmetry with the atom Y1:
Atom | x | y | z |
1 | 0.42618 | 0.12500 | 0.44795 |
2 | 0.92618 | 0.62500 | 0.80205 |
3 | 0.57382 | 0.87500 | 0.55205 |
4 | 0.07382 | 0.87500 | 0.69795 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.42618 | 0.62500 | 0.94795 |
6 | 0.92618 | 0.12500 | 0.30205 |
7 | 0.57382 | 0.37500 | 0.05205 |
8 | 0.07382 | 0.37500 | 0.19795 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.42618 | 0.62500 | 0.44795 |
10 | 0.92618 | 0.12500 | 0.80205 |
11 | 0.57382 | 0.37500 | 0.55205 |
12 | 0.07382 | 0.37500 | 0.69795 |
(0,0,1/2)' + set click here to show and hide |
13 | 0.42618 | 0.12500 | 0.94795 |
14 | 0.92618 | 0.62500 | 0.30205 |
15 | 0.57382 | 0.87500 | 0.05205 |
16 | 0.07382 | 0.87500 | 0.19795 |
Set of atoms in the unit cell related by symmetry with the atom Y2:
Atom | x | y | z |
1 | 0.21173 | 0.12500 | 0.30815 |
2 | 0.71173 | 0.62500 | 0.94185 |
3 | 0.78827 | 0.87500 | 0.69185 |
4 | 0.28827 | 0.87500 | 0.55815 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.21173 | 0.62500 | 0.80815 |
6 | 0.71173 | 0.12500 | 0.44185 |
7 | 0.78827 | 0.37500 | 0.19185 |
8 | 0.28827 | 0.37500 | 0.05815 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.21173 | 0.62500 | 0.30815 |
10 | 0.71173 | 0.12500 | 0.94185 |
11 | 0.78827 | 0.37500 | 0.69185 |
12 | 0.28827 | 0.37500 | 0.55815 |
(0,0,1/2)' + set click here to show and hide |
13 | 0.21173 | 0.12500 | 0.80815 |
14 | 0.71173 | 0.62500 | 0.44185 |
15 | 0.78827 | 0.87500 | 0.19185 |
16 | 0.28827 | 0.87500 | 0.05815 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.56810 | 0.25350 | 0.41725 |
2 | 0.06810 | 0.49650 | 0.83275 |
3 | 0.43190 | 0.74650 | 0.58275 |
4 | 0.93190 | 0.00350 | 0.66725 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.56810 | 0.75350 | 0.91725 |
6 | 0.06810 | 0.99650 | 0.33275 |
7 | 0.43190 | 0.24650 | 0.08275 |
8 | 0.93190 | 0.50350 | 0.16725 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.56810 | 0.75350 | 0.41725 |
10 | 0.06810 | 0.99650 | 0.83275 |
11 | 0.43190 | 0.24650 | 0.58275 |
12 | 0.93190 | 0.50350 | 0.66725 |
(0,0,1/2)' + set click here to show and hide |
13 | 0.56810 | 0.25350 | 0.91725 |
14 | 0.06810 | 0.49650 | 0.33275 |
15 | 0.43190 | 0.74650 | 0.08275 |
16 | 0.93190 | 0.00350 | 0.16725 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.93190 | 0.74650 | 0.66725 |
2 | 0.43190 | 0.00350 | 0.58275 |
3 | 0.06810 | 0.25350 | 0.33275 |
4 | 0.56810 | 0.49650 | 0.91725 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.93190 | 0.24650 | 0.16725 |
6 | 0.43190 | 0.50350 | 0.08275 |
7 | 0.06810 | 0.75350 | 0.83275 |
8 | 0.56810 | 0.99650 | 0.41725 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.93190 | 0.24650 | 0.66725 |
10 | 0.43190 | 0.50350 | 0.58275 |
11 | 0.06810 | 0.75350 | 0.33275 |
12 | 0.56810 | 0.99650 | 0.91725 |
(0,0,1/2)' + set click here to show and hide |
13 | 0.93190 | 0.74650 | 0.16725 |
14 | 0.43190 | 0.00350 | 0.08275 |
15 | 0.06810 | 0.25350 | 0.83275 |
16 | 0.56810 | 0.49650 | 0.41725 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.77120 | 0.25150 | 0.32160 |
2 | 0.27120 | 0.49850 | 0.92840 |
3 | 0.22880 | 0.74850 | 0.67840 |
4 | 0.72880 | 0.00150 | 0.57160 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.77120 | 0.75150 | 0.82160 |
6 | 0.27120 | 0.99850 | 0.42840 |
7 | 0.22880 | 0.24850 | 0.17840 |
8 | 0.72880 | 0.50150 | 0.07160 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.77120 | 0.75150 | 0.32160 |
10 | 0.27120 | 0.99850 | 0.92840 |
11 | 0.22880 | 0.24850 | 0.67840 |
12 | 0.72880 | 0.50150 | 0.57160 |
(0,0,1/2)' + set click here to show and hide |
13 | 0.77120 | 0.25150 | 0.82160 |
14 | 0.27120 | 0.49850 | 0.42840 |
15 | 0.22880 | 0.74850 | 0.17840 |
16 | 0.72880 | 0.00150 | 0.07160 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.72880 | 0.74850 | 0.57160 |
2 | 0.22880 | 0.00150 | 0.67840 |
3 | 0.27120 | 0.25150 | 0.42840 |
4 | 0.77120 | 0.49850 | 0.82160 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.72880 | 0.24850 | 0.07160 |
6 | 0.22880 | 0.50150 | 0.17840 |
7 | 0.27120 | 0.75150 | 0.92840 |
8 | 0.77120 | 0.99850 | 0.32160 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.72880 | 0.24850 | 0.57160 |
10 | 0.22880 | 0.50150 | 0.67840 |
11 | 0.27120 | 0.75150 | 0.42840 |
12 | 0.77120 | 0.99850 | 0.82160 |
(0,0,1/2)' + set click here to show and hide |
13 | 0.72880 | 0.74850 | 0.07160 |
14 | 0.22880 | 0.00150 | 0.17840 |
15 | 0.27120 | 0.25150 | 0.92840 |
16 | 0.77120 | 0.49850 | 0.32160 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.90000 | 0.12500 | 0.46100 |
2 | 0.40000 | 0.62500 | 0.78900 |
3 | 0.10000 | 0.87500 | 0.53900 |
4 | 0.60000 | 0.87500 | 0.71100 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.90000 | 0.62500 | 0.96100 |
6 | 0.40000 | 0.12500 | 0.28900 |
7 | 0.10000 | 0.37500 | 0.03900 |
8 | 0.60000 | 0.37500 | 0.21100 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.90000 | 0.62500 | 0.46100 |
10 | 0.40000 | 0.12500 | 0.78900 |
11 | 0.10000 | 0.37500 | 0.53900 |
12 | 0.60000 | 0.37500 | 0.71100 |
(0,0,1/2)' + set click here to show and hide |
13 | 0.90000 | 0.12500 | 0.96100 |
14 | 0.40000 | 0.62500 | 0.28900 |
15 | 0.10000 | 0.87500 | 0.03900 |
16 | 0.60000 | 0.87500 | 0.21100 |
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