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 Cu2_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.25000 | mx,0,0 | -0.46000 | 0.00000 | 0.00000 |
2 | 0.12500 | 0.12500 | 0.12500 | 0,-mx,0 | 0.00000 | 0.46000 | 0.00000 |
3 | 0.87500 | 0.12500 | 0.12500 | 0,mx,0 | 0.00000 | -0.46000 | 0.00000 |
4 | 0.00000 | 0.25000 | 0.25000 | -mx,0,0 | 0.46000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.75000 | mx,0,0 | -0.46000 | 0.00000 | 0.00000 |
6 | 0.12500 | 0.62500 | 0.62500 | 0,-mx,0 | 0.00000 | 0.46000 | 0.00000 |
7 | 0.87500 | 0.62500 | 0.62500 | 0,mx,0 | 0.00000 | -0.46000 | 0.00000 |
8 | 0.00000 | 0.75000 | 0.75000 | -mx,0,0 | 0.46000 | 0.00000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
9 | 0.50000 | 0.00000 | 0.75000 | mx,0,0 | -0.46000 | 0.00000 | 0.00000 |
10 | 0.62500 | 0.12500 | 0.62500 | 0,-mx,0 | 0.00000 | 0.46000 | 0.00000 |
11 | 0.37500 | 0.12500 | 0.62500 | 0,mx,0 | 0.00000 | -0.46000 | 0.00000 |
12 | 0.50000 | 0.25000 | 0.75000 | -mx,0,0 | 0.46000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
13 | 0.50000 | 0.50000 | 0.25000 | mx,0,0 | -0.46000 | 0.00000 | 0.00000 |
14 | 0.62500 | 0.62500 | 0.12500 | 0,-mx,0 | 0.00000 | 0.46000 | 0.00000 |
15 | 0.37500 | 0.62500 | 0.12500 | 0,mx,0 | 0.00000 | -0.46000 | 0.00000 |
16 | 0.50000 | 0.75000 | 0.25000 | -mx,0,0 | 0.46000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.00000 | 0.00000 | 0.75000 | -mx,0,0 | 0.46000 | 0.00000 | 0.00000 |
18 | 0.12500 | 0.12500 | 0.62500 | 0,mx,0 | 0.00000 | -0.46000 | 0.00000 |
19 | 0.87500 | 0.12500 | 0.62500 | 0,-mx,0 | 0.00000 | 0.46000 | 0.00000 |
20 | 0.00000 | 0.25000 | 0.75000 | mx,0,0 | -0.46000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
21 | 0.00000 | 0.50000 | 0.25000 | -mx,0,0 | 0.46000 | 0.00000 | 0.00000 |
22 | 0.12500 | 0.62500 | 0.12500 | 0,mx,0 | 0.00000 | -0.46000 | 0.00000 |
23 | 0.87500 | 0.62500 | 0.12500 | 0,-mx,0 | 0.00000 | 0.46000 | 0.00000 |
24 | 0.00000 | 0.75000 | 0.25000 | mx,0,0 | -0.46000 | 0.00000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
25 | 0.50000 | 0.00000 | 0.25000 | -mx,0,0 | 0.46000 | 0.00000 | 0.00000 |
26 | 0.62500 | 0.12500 | 0.12500 | 0,mx,0 | 0.00000 | -0.46000 | 0.00000 |
27 | 0.37500 | 0.12500 | 0.12500 | 0,-mx,0 | 0.00000 | 0.46000 | 0.00000 |
28 | 0.50000 | 0.25000 | 0.25000 | mx,0,0 | -0.46000 | 0.00000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
29 | 0.50000 | 0.50000 | 0.75000 | -mx,0,0 | 0.46000 | 0.00000 | 0.00000 |
30 | 0.62500 | 0.62500 | 0.62500 | 0,mx,0 | 0.00000 | -0.46000 | 0.00000 |
31 | 0.37500 | 0.62500 | 0.62500 | 0,-mx,0 | 0.00000 | 0.46000 | 0.00000 |
32 | 0.50000 | 0.75000 | 0.75000 | mx,0,0 | -0.46000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.00000 | 0.00000 | 0,my,mz | 0.00000 | -0.46000 | 0.00000 |
2 | 0.12500 | 0.87500 | 0.37500 | -my,0,-mz | 0.46000 | 0.00000 | 0.00000 |
3 | 0.87500 | 0.37500 | 0.37500 | my,0,-mz | -0.46000 | 0.00000 | 0.00000 |
4 | 0.75000 | 0.25000 | 0.00000 | 0,-my,mz | 0.00000 | 0.46000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.25000 | 0.50000 | 0.50000 | 0,my,mz | 0.00000 | -0.46000 | 0.00000 |
6 | 0.12500 | 0.37500 | 0.87500 | -my,0,-mz | 0.46000 | 0.00000 | 0.00000 |
7 | 0.87500 | 0.87500 | 0.87500 | my,0,-mz | -0.46000 | 0.00000 | 0.00000 |
8 | 0.75000 | 0.75000 | 0.50000 | 0,-my,mz | 0.00000 | 0.46000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
9 | 0.75000 | 0.00000 | 0.50000 | 0,my,mz | 0.00000 | -0.46000 | 0.00000 |
10 | 0.62500 | 0.87500 | 0.87500 | -my,0,-mz | 0.46000 | 0.00000 | 0.00000 |
11 | 0.37500 | 0.37500 | 0.87500 | my,0,-mz | -0.46000 | 0.00000 | 0.00000 |
12 | 0.25000 | 0.25000 | 0.50000 | 0,-my,mz | 0.00000 | 0.46000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
13 | 0.75000 | 0.50000 | 0.00000 | 0,my,mz | 0.00000 | -0.46000 | 0.00000 |
14 | 0.62500 | 0.37500 | 0.37500 | -my,0,-mz | 0.46000 | 0.00000 | 0.00000 |
15 | 0.37500 | 0.87500 | 0.37500 | my,0,-mz | -0.46000 | 0.00000 | 0.00000 |
16 | 0.25000 | 0.75000 | 0.00000 | 0,-my,mz | 0.00000 | 0.46000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.25000 | 0.00000 | 0.50000 | 0,-my,-mz | 0.00000 | 0.46000 | 0.00000 |
18 | 0.12500 | 0.87500 | 0.87500 | my,0,mz | -0.46000 | 0.00000 | 0.00000 |
19 | 0.87500 | 0.37500 | 0.87500 | -my,0,mz | 0.46000 | 0.00000 | 0.00000 |
20 | 0.75000 | 0.25000 | 0.50000 | 0,my,-mz | 0.00000 | -0.46000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
21 | 0.25000 | 0.50000 | 0.00000 | 0,-my,-mz | 0.00000 | 0.46000 | 0.00000 |
22 | 0.12500 | 0.37500 | 0.37500 | my,0,mz | -0.46000 | 0.00000 | 0.00000 |
23 | 0.87500 | 0.87500 | 0.37500 | -my,0,mz | 0.46000 | 0.00000 | 0.00000 |
24 | 0.75000 | 0.75000 | 0.00000 | 0,my,-mz | 0.00000 | -0.46000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
25 | 0.75000 | 0.00000 | 0.00000 | 0,-my,-mz | 0.00000 | 0.46000 | 0.00000 |
26 | 0.62500 | 0.87500 | 0.37500 | my,0,mz | -0.46000 | 0.00000 | 0.00000 |
27 | 0.37500 | 0.37500 | 0.37500 | -my,0,mz | 0.46000 | 0.00000 | 0.00000 |
28 | 0.25000 | 0.25000 | 0.00000 | 0,my,-mz | 0.00000 | -0.46000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
29 | 0.75000 | 0.50000 | 0.50000 | 0,-my,-mz | 0.00000 | 0.46000 | 0.00000 |
30 | 0.62500 | 0.37500 | 0.87500 | my,0,mz | -0.46000 | 0.00000 | 0.00000 |
31 | 0.37500 | 0.87500 | 0.87500 | -my,0,mz | 0.46000 | 0.00000 | 0.00000 |
32 | 0.25000 | 0.75000 | 0.50000 | 0,my,-mz | 0.00000 | -0.46000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Cu1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.12500 | 0.12500 | 0.37500 |
3 | 0.87500 | 0.12500 | 0.37500 |
4 | 0.00000 | 0.25000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.50000 |
6 | 0.12500 | 0.62500 | 0.87500 |
7 | 0.87500 | 0.62500 | 0.87500 |
8 | 0.00000 | 0.75000 | 0.50000 |
(1/2,0,1/2) + set click here to show and hide |
9 | 0.50000 | 0.00000 | 0.50000 |
10 | 0.62500 | 0.12500 | 0.87500 |
11 | 0.37500 | 0.12500 | 0.87500 |
12 | 0.50000 | 0.25000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
13 | 0.50000 | 0.50000 | 0.00000 |
14 | 0.62500 | 0.62500 | 0.37500 |
15 | 0.37500 | 0.62500 | 0.37500 |
16 | 0.50000 | 0.75000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.00000 | 0.00000 | 0.50000 |
18 | 0.12500 | 0.12500 | 0.87500 |
19 | 0.87500 | 0.12500 | 0.87500 |
20 | 0.00000 | 0.25000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
21 | 0.00000 | 0.50000 | 0.00000 |
22 | 0.12500 | 0.62500 | 0.37500 |
23 | 0.87500 | 0.62500 | 0.37500 |
24 | 0.00000 | 0.75000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
25 | 0.50000 | 0.00000 | 0.00000 |
26 | 0.62500 | 0.12500 | 0.37500 |
27 | 0.37500 | 0.12500 | 0.37500 |
28 | 0.50000 | 0.25000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
29 | 0.50000 | 0.50000 | 0.50000 |
30 | 0.62500 | 0.62500 | 0.87500 |
31 | 0.37500 | 0.62500 | 0.87500 |
32 | 0.50000 | 0.75000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Cu1_2:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.25000 |
2 | 0.12500 | 0.87500 | 0.12500 |
3 | 0.87500 | 0.37500 | 0.12500 |
4 | 0.75000 | 0.25000 | 0.25000 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.25000 | 0.50000 | 0.75000 |
6 | 0.12500 | 0.37500 | 0.62500 |
7 | 0.87500 | 0.87500 | 0.62500 |
8 | 0.75000 | 0.75000 | 0.75000 |
(1/2,0,1/2) + set click here to show and hide |
9 | 0.75000 | 0.00000 | 0.75000 |
10 | 0.62500 | 0.87500 | 0.62500 |
11 | 0.37500 | 0.37500 | 0.62500 |
12 | 0.25000 | 0.25000 | 0.75000 |
(1/2,1/2,0) + set click here to show and hide |
13 | 0.75000 | 0.50000 | 0.25000 |
14 | 0.62500 | 0.37500 | 0.12500 |
15 | 0.37500 | 0.87500 | 0.12500 |
16 | 0.25000 | 0.75000 | 0.25000 |
(0,0,1/2)' + set click here to show and hide |
17 | 0.25000 | 0.00000 | 0.75000 |
18 | 0.12500 | 0.87500 | 0.62500 |
19 | 0.87500 | 0.37500 | 0.62500 |
20 | 0.75000 | 0.25000 | 0.75000 |
(0,1/2,0)' + set click here to show and hide |
21 | 0.25000 | 0.50000 | 0.25000 |
22 | 0.12500 | 0.37500 | 0.12500 |
23 | 0.87500 | 0.87500 | 0.12500 |
24 | 0.75000 | 0.75000 | 0.25000 |
(1/2,0,0)' + set click here to show and hide |
25 | 0.75000 | 0.00000 | 0.25000 |
26 | 0.62500 | 0.87500 | 0.12500 |
27 | 0.37500 | 0.37500 | 0.12500 |
28 | 0.25000 | 0.25000 | 0.25000 |
(1/2,1/2,1/2)' + set click here to show and hide |
29 | 0.75000 | 0.50000 | 0.75000 |
30 | 0.62500 | 0.37500 | 0.62500 |
31 | 0.37500 | 0.87500 | 0.62500 |
32 | 0.25000 | 0.75000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00000 | 0.12500 | 0.05810 |
2 | 0.00000 | 0.12500 | 0.31690 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.62500 | 0.55810 |
4 | 0.00000 | 0.62500 | 0.81690 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.12500 | 0.55810 |
6 | 0.50000 | 0.12500 | 0.81690 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.62500 | 0.05810 |
8 | 0.50000 | 0.62500 | 0.31690 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.12500 | 0.55810 |
10 | 0.00000 | 0.12500 | 0.81690 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.62500 | 0.05810 |
12 | 0.00000 | 0.62500 | 0.31690 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.12500 | 0.05810 |
14 | 0.50000 | 0.12500 | 0.31690 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.62500 | 0.55810 |
16 | 0.50000 | 0.62500 | 0.81690 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.00000 | 0.37500 | 0.18310 |
2 | 0.75000 | 0.12500 | 0.19190 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.87500 | 0.68310 |
4 | 0.75000 | 0.62500 | 0.69190 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.37500 | 0.68310 |
6 | 0.25000 | 0.12500 | 0.69190 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.87500 | 0.18310 |
8 | 0.25000 | 0.62500 | 0.19190 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.37500 | 0.68310 |
10 | 0.75000 | 0.12500 | 0.69190 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.87500 | 0.18310 |
12 | 0.75000 | 0.62500 | 0.19190 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.37500 | 0.18310 |
14 | 0.25000 | 0.12500 | 0.19190 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.87500 | 0.68310 |
16 | 0.25000 | 0.62500 | 0.69190 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.25000 | 0.37500 | 0.06690 |
2 | 0.75000 | 0.87500 | 0.30810 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.25000 | 0.87500 | 0.56690 |
4 | 0.75000 | 0.37500 | 0.80810 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.75000 | 0.37500 | 0.56690 |
6 | 0.25000 | 0.87500 | 0.80810 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.75000 | 0.87500 | 0.06690 |
8 | 0.25000 | 0.37500 | 0.30810 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.25000 | 0.37500 | 0.56690 |
10 | 0.75000 | 0.87500 | 0.80810 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.25000 | 0.87500 | 0.06690 |
12 | 0.75000 | 0.37500 | 0.30810 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.75000 | 0.37500 | 0.06690 |
14 | 0.25000 | 0.87500 | 0.30810 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.75000 | 0.87500 | 0.56690 |
16 | 0.25000 | 0.37500 | 0.80810 |
Set of atoms in the unit cell related by symmetry with the atom O1_4:
Atom | x | y | z |
1 | 0.25000 | 0.12500 | 0.43310 |
2 | 0.00000 | 0.87500 | 0.94190 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.25000 | 0.62500 | 0.93310 |
4 | 0.00000 | 0.37500 | 0.44190 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.75000 | 0.12500 | 0.93310 |
6 | 0.50000 | 0.87500 | 0.44190 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.75000 | 0.62500 | 0.43310 |
8 | 0.50000 | 0.37500 | 0.94190 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.25000 | 0.12500 | 0.93310 |
10 | 0.00000 | 0.87500 | 0.44190 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.25000 | 0.62500 | 0.43310 |
12 | 0.00000 | 0.37500 | 0.94190 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.75000 | 0.12500 | 0.43310 |
14 | 0.50000 | 0.87500 | 0.94190 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.75000 | 0.62500 | 0.93310 |
16 | 0.50000 | 0.37500 | 0.44190 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.00000 | 0.12500 | 0.18750 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.62500 | 0.68750 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.12500 | 0.68750 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.62500 | 0.18750 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.12500 | 0.68750 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.00000 | 0.62500 | 0.18750 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.12500 | 0.18750 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.50000 | 0.62500 | 0.68750 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.00000 | 0.37500 | 0.31250 |
2 | 0.75000 | 0.12500 | 0.06250 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.87500 | 0.81250 |
4 | 0.75000 | 0.62500 | 0.56250 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.50000 | 0.37500 | 0.81250 |
6 | 0.25000 | 0.12500 | 0.56250 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.50000 | 0.87500 | 0.31250 |
8 | 0.25000 | 0.62500 | 0.06250 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.37500 | 0.81250 |
10 | 0.75000 | 0.12500 | 0.56250 |
(0,1/2,0)' + set click here to show and hide |
11 | 0.00000 | 0.87500 | 0.31250 |
12 | 0.75000 | 0.62500 | 0.06250 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.37500 | 0.31250 |
14 | 0.25000 | 0.12500 | 0.06250 |
(1/2,1/2,1/2)' + set click here to show and hide |
15 | 0.50000 | 0.87500 | 0.81250 |
16 | 0.25000 | 0.62500 | 0.56250 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.25000 | 0.37500 | 0.43750 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.25000 | 0.87500 | 0.93750 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.75000 | 0.37500 | 0.93750 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.75000 | 0.87500 | 0.43750 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.37500 | 0.93750 |
(0,1/2,0)' + set click here to show and hide |
6 | 0.25000 | 0.87500 | 0.43750 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.37500 | 0.43750 |
(1/2,1/2,1/2)' + set click here to show and hide |
8 | 0.75000 | 0.87500 | 0.93750 |
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