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 Co1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.25000 | 2my,my,mz | 1.18000 | 0.59000 | 0.00000 |
2 | 0.33333 | 0.00000 | 0.25000 | -my,my,mz | -0.59000 | 0.59000 | 0.00000 |
3 | 0.33333 | 0.33333 | 0.25000 | -my,-2my,mz | -0.59000 | -1.18000 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.25000 | 2my,my,mz | 1.18000 | 0.59000 | 0.00000 |
5 | 0.66667 | 0.66667 | 0.25000 | -my,my,mz | -0.59000 | 0.59000 | 0.00000 |
6 | 0.66667 | 0.00000 | 0.25000 | -my,-2my,mz | -0.59000 | -1.18000 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.25000 | 2my,my,mz | 1.18000 | 0.59000 | 0.00000 |
8 | 0.00000 | 0.33333 | 0.25000 | -my,my,mz | -0.59000 | 0.59000 | 0.00000 |
9 | 0.00000 | 0.66667 | 0.25000 | -my,-2my,mz | -0.59000 | -1.18000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.00000 | 0.00000 | 0.75000 | -2my,-my,-mz | -1.18000 | -0.59000 | 0.00000 |
11 | 0.33333 | 0.00000 | 0.75000 | my,-my,-mz | 0.59000 | -0.59000 | 0.00000 |
12 | 0.33333 | 0.33333 | 0.75000 | my,2my,-mz | 0.59000 | 1.18000 | 0.00000 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.33333 | 0.66667 | 0.75000 | -2my,-my,-mz | -1.18000 | -0.59000 | 0.00000 |
14 | 0.66667 | 0.66667 | 0.75000 | my,-my,-mz | 0.59000 | -0.59000 | 0.00000 |
15 | 0.66667 | 0.00000 | 0.75000 | my,2my,-mz | 0.59000 | 1.18000 | 0.00000 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.66667 | 0.33333 | 0.75000 | -2my,-my,-mz | -1.18000 | -0.59000 | 0.00000 |
17 | 0.00000 | 0.33333 | 0.75000 | my,-my,-mz | 0.59000 | -0.59000 | 0.00000 |
18 | 0.00000 | 0.66667 | 0.75000 | my,2my,-mz | 0.59000 | 1.18000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.33333 | 0.00000 | 0.00000 |
3 | 0.33333 | 0.33333 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.00000 |
5 | 0.66667 | 0.66667 | 0.00000 |
6 | 0.66667 | 0.00000 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.00000 |
8 | 0.00000 | 0.33333 | 0.00000 |
9 | 0.00000 | 0.66667 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.00000 | 0.00000 | 0.50000 |
11 | 0.33333 | 0.00000 | 0.50000 |
12 | 0.33333 | 0.33333 | 0.50000 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.33333 | 0.66667 | 0.50000 |
14 | 0.66667 | 0.66667 | 0.50000 |
15 | 0.66667 | 0.00000 | 0.50000 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.66667 | 0.33333 | 0.50000 |
17 | 0.00000 | 0.33333 | 0.50000 |
18 | 0.00000 | 0.66667 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Ba2_1:
Atom | x | y | z |
1 | 0.11111 | 0.22222 | 0.33065 |
2 | 0.11111 | 0.88889 | 0.33065 |
3 | 0.44444 | 0.22222 | 0.33065 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.44444 | 0.88889 | 0.33065 |
5 | 0.44445 | 0.55556 | 0.33065 |
6 | 0.77778 | 0.88889 | 0.33065 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.77778 | 0.55555 | 0.33065 |
8 | 0.77778 | 0.22222 | 0.33065 |
9 | 0.11111 | 0.55556 | 0.33065 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.11111 | 0.22222 | 0.83065 |
11 | 0.11111 | 0.88889 | 0.83065 |
12 | 0.44444 | 0.22222 | 0.83065 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.44444 | 0.88889 | 0.83065 |
14 | 0.44445 | 0.55556 | 0.83065 |
15 | 0.77778 | 0.88889 | 0.83065 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.77778 | 0.55555 | 0.83065 |
17 | 0.77778 | 0.22222 | 0.83065 |
18 | 0.11111 | 0.55556 | 0.83065 |
Set of atoms in the unit cell related by symmetry with the atom Ba2_2:
Atom | x | y | z |
1 | 0.22222 | 0.11111 | 0.66935 |
(1/3,2/3,0) + set click here to show and hide |
2 | 0.55555 | 0.77778 | 0.66935 |
(2/3,1/3,0) + set click here to show and hide |
3 | 0.88889 | 0.44444 | 0.66935 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.22222 | 0.11111 | 0.16935 |
(1/3,2/3,1/2)' + set click here to show and hide |
5 | 0.55555 | 0.77778 | 0.16935 |
(2/3,1/3,1/2)' + set click here to show and hide |
6 | 0.88889 | 0.44444 | 0.16935 |
Set of atoms in the unit cell related by symmetry with the atom Ba2_3:
Atom | x | y | z |
1 | 0.22222 | 0.44444 | 0.66935 |
2 | 0.88889 | 0.11111 | 0.16935 |
(1/3,2/3,0) + set click here to show and hide |
3 | 0.55555 | 0.11111 | 0.66935 |
4 | 0.22223 | 0.77778 | 0.16935 |
(2/3,1/3,0) + set click here to show and hide |
5 | 0.88889 | 0.77777 | 0.66935 |
6 | 0.55556 | 0.44445 | 0.16935 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.22222 | 0.44444 | 0.16935 |
8 | 0.88889 | 0.11111 | 0.66935 |
(1/3,2/3,1/2)' + set click here to show and hide |
9 | 0.55555 | 0.11111 | 0.16935 |
10 | 0.22223 | 0.77778 | 0.66935 |
(2/3,1/3,1/2)' + set click here to show and hide |
11 | 0.88889 | 0.77777 | 0.16935 |
12 | 0.55556 | 0.44445 | 0.66935 |
Set of atoms in the unit cell related by symmetry with the atom Nb1_1:
Atom | x | y | z |
1 | 0.11111 | 0.22222 | 0.08755 |
2 | 0.11111 | 0.88889 | 0.08755 |
3 | 0.44444 | 0.22222 | 0.08755 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.44444 | 0.88889 | 0.08755 |
5 | 0.44445 | 0.55556 | 0.08755 |
6 | 0.77778 | 0.88889 | 0.08755 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.77778 | 0.55555 | 0.08755 |
8 | 0.77778 | 0.22222 | 0.08755 |
9 | 0.11111 | 0.55556 | 0.08755 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.11111 | 0.22222 | 0.58755 |
11 | 0.11111 | 0.88889 | 0.58755 |
12 | 0.44444 | 0.22222 | 0.58755 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.44444 | 0.88889 | 0.58755 |
14 | 0.44445 | 0.55556 | 0.58755 |
15 | 0.77778 | 0.88889 | 0.58755 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.77778 | 0.55555 | 0.58755 |
17 | 0.77778 | 0.22222 | 0.58755 |
18 | 0.11111 | 0.55556 | 0.58755 |
Set of atoms in the unit cell related by symmetry with the atom Nb1_2:
Atom | x | y | z |
1 | 0.22222 | 0.11111 | 0.91245 |
(1/3,2/3,0) + set click here to show and hide |
2 | 0.55555 | 0.77778 | 0.91245 |
(2/3,1/3,0) + set click here to show and hide |
3 | 0.88889 | 0.44444 | 0.91245 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.22222 | 0.11111 | 0.41245 |
(1/3,2/3,1/2)' + set click here to show and hide |
5 | 0.55555 | 0.77778 | 0.41245 |
(2/3,1/3,1/2)' + set click here to show and hide |
6 | 0.88889 | 0.44444 | 0.41245 |
Set of atoms in the unit cell related by symmetry with the atom Nb1_3:
Atom | x | y | z |
1 | 0.22222 | 0.44444 | 0.91245 |
2 | 0.88889 | 0.11111 | 0.41245 |
(1/3,2/3,0) + set click here to show and hide |
3 | 0.55555 | 0.11111 | 0.91245 |
4 | 0.22223 | 0.77778 | 0.41245 |
(2/3,1/3,0) + set click here to show and hide |
5 | 0.88889 | 0.77777 | 0.91245 |
6 | 0.55556 | 0.44445 | 0.41245 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.22222 | 0.44444 | 0.41245 |
8 | 0.88889 | 0.11111 | 0.91245 |
(1/3,2/3,1/2)' + set click here to show and hide |
9 | 0.55555 | 0.11111 | 0.41245 |
10 | 0.22223 | 0.77778 | 0.91245 |
(2/3,1/3,1/2)' + set click here to show and hide |
11 | 0.88889 | 0.77777 | 0.41245 |
12 | 0.55556 | 0.44445 | 0.91245 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.16667 | 0.00000 | 0.00000 |
2 | 0.33333 | 0.16667 | 0.00000 |
3 | 0.16666 | 0.16666 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.50000 | 0.66667 | 0.00000 |
5 | 0.66667 | 0.83334 | 0.00000 |
6 | 0.50000 | 0.83333 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.83334 | 0.33333 | 0.00000 |
8 | 0.00000 | 0.50000 | 0.00000 |
9 | 0.83333 | 0.50000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.16667 | 0.00000 | 0.50000 |
11 | 0.33333 | 0.16667 | 0.50000 |
12 | 0.16666 | 0.16666 | 0.50000 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.50000 | 0.66667 | 0.50000 |
14 | 0.66667 | 0.83334 | 0.50000 |
15 | 0.50000 | 0.83333 | 0.50000 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.83334 | 0.33333 | 0.50000 |
17 | 0.00000 | 0.50000 | 0.50000 |
18 | 0.83333 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.00000 | 0.16667 | 0.00000 |
2 | 0.16666 | 0.83333 | 0.00000 |
3 | 0.50000 | 0.33333 | 0.00000 |
4 | 0.16666 | 0.33333 | 0.50000 |
5 | 0.00000 | 0.83333 | 0.50000 |
6 | 0.50000 | 0.16667 | 0.50000 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.33333 | 0.83334 | 0.00000 |
8 | 0.50000 | 0.50000 | 0.00000 |
9 | 0.83334 | 0.00000 | 0.00000 |
10 | 0.50000 | 0.00000 | 0.50000 |
11 | 0.33333 | 0.50000 | 0.50000 |
12 | 0.83334 | 0.83334 | 0.50000 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.66667 | 0.50000 | 0.00000 |
14 | 0.83333 | 0.16666 | 0.00000 |
15 | 0.16667 | 0.66667 | 0.00000 |
16 | 0.83333 | 0.66667 | 0.50000 |
17 | 0.66667 | 0.16666 | 0.50000 |
18 | 0.16667 | 0.50000 | 0.50000 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.00000 | 0.16667 | 0.50000 |
20 | 0.16666 | 0.83333 | 0.50000 |
21 | 0.50000 | 0.33333 | 0.50000 |
22 | 0.16666 | 0.33333 | 0.00000 |
23 | 0.00000 | 0.83333 | 0.00000 |
24 | 0.50000 | 0.16667 | 0.00000 |
(1/3,2/3,1/2)' + set click here to show and hide |
25 | 0.33333 | 0.83334 | 0.50000 |
26 | 0.50000 | 0.50000 | 0.50000 |
27 | 0.83334 | 0.00000 | 0.50000 |
28 | 0.50000 | 0.00000 | 0.00000 |
29 | 0.33333 | 0.50000 | 0.00000 |
30 | 0.83334 | 0.83334 | 0.00000 |
(2/3,1/3,1/2)' + set click here to show and hide |
31 | 0.66667 | 0.50000 | 0.50000 |
32 | 0.83333 | 0.16666 | 0.50000 |
33 | 0.16667 | 0.66667 | 0.50000 |
34 | 0.83333 | 0.66667 | 0.00000 |
35 | 0.66667 | 0.16666 | 0.00000 |
36 | 0.16667 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.05590 | 0.94410 | 0.16595 |
2 | 0.38923 | 0.11180 | 0.16595 |
3 | 0.22153 | 0.27743 | 0.16595 |
4 | 0.38923 | 0.27743 | 0.66595 |
5 | 0.05590 | 0.11180 | 0.66595 |
6 | 0.22153 | 0.94410 | 0.66595 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.38923 | 0.61077 | 0.16595 |
8 | 0.72257 | 0.77847 | 0.16595 |
9 | 0.55487 | 0.94410 | 0.16595 |
10 | 0.72257 | 0.94410 | 0.66595 |
11 | 0.38923 | 0.77847 | 0.66595 |
12 | 0.55487 | 0.61077 | 0.66595 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.72257 | 0.27743 | 0.16595 |
14 | 0.05590 | 0.44513 | 0.16595 |
15 | 0.88820 | 0.61077 | 0.16595 |
16 | 0.05590 | 0.61077 | 0.66595 |
17 | 0.72257 | 0.44513 | 0.66595 |
18 | 0.88820 | 0.27743 | 0.66595 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.05590 | 0.94410 | 0.66595 |
20 | 0.38923 | 0.11180 | 0.66595 |
21 | 0.22153 | 0.27743 | 0.66595 |
22 | 0.38923 | 0.27743 | 0.16595 |
23 | 0.05590 | 0.11180 | 0.16595 |
24 | 0.22153 | 0.94410 | 0.16595 |
(1/3,2/3,1/2)' + set click here to show and hide |
25 | 0.38923 | 0.61077 | 0.66595 |
26 | 0.72257 | 0.77847 | 0.66595 |
27 | 0.55487 | 0.94410 | 0.66595 |
28 | 0.72257 | 0.94410 | 0.16595 |
29 | 0.38923 | 0.77847 | 0.16595 |
30 | 0.55487 | 0.61077 | 0.16595 |
(2/3,1/3,1/2)' + set click here to show and hide |
31 | 0.72257 | 0.27743 | 0.66595 |
32 | 0.05590 | 0.44513 | 0.66595 |
33 | 0.88820 | 0.61077 | 0.66595 |
34 | 0.05590 | 0.61077 | 0.16595 |
35 | 0.72257 | 0.44513 | 0.16595 |
36 | 0.88820 | 0.27743 | 0.16595 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.88820 | 0.94410 | 0.16595 |
2 | 0.38923 | 0.94410 | 0.16595 |
3 | 0.38923 | 0.44513 | 0.16595 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.22153 | 0.61077 | 0.16595 |
5 | 0.72257 | 0.61077 | 0.16595 |
6 | 0.72257 | 0.11180 | 0.16595 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.55487 | 0.27743 | 0.16595 |
8 | 0.05590 | 0.27743 | 0.16595 |
9 | 0.05590 | 0.77847 | 0.16595 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.88820 | 0.94410 | 0.66595 |
11 | 0.38923 | 0.94410 | 0.66595 |
12 | 0.38923 | 0.44513 | 0.66595 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.22153 | 0.61077 | 0.66595 |
14 | 0.72257 | 0.61077 | 0.66595 |
15 | 0.72257 | 0.11180 | 0.66595 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.55487 | 0.27743 | 0.66595 |
17 | 0.05590 | 0.27743 | 0.66595 |
18 | 0.05590 | 0.77847 | 0.66595 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.94410 | 0.05590 | 0.83405 |
2 | 0.27743 | 0.88820 | 0.83405 |
3 | 0.44513 | 0.38923 | 0.83405 |
4 | 0.27743 | 0.38923 | 0.33405 |
5 | 0.94410 | 0.88820 | 0.33405 |
6 | 0.44513 | 0.05590 | 0.33405 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.27743 | 0.72257 | 0.83405 |
8 | 0.61077 | 0.55487 | 0.83405 |
9 | 0.77847 | 0.05590 | 0.83405 |
10 | 0.61077 | 0.05590 | 0.33405 |
11 | 0.27743 | 0.55487 | 0.33405 |
12 | 0.77847 | 0.72257 | 0.33405 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.61077 | 0.38923 | 0.83405 |
14 | 0.94410 | 0.22153 | 0.83405 |
15 | 0.11180 | 0.72257 | 0.83405 |
16 | 0.94410 | 0.72257 | 0.33405 |
17 | 0.61077 | 0.22153 | 0.33405 |
18 | 0.11180 | 0.38923 | 0.33405 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.94410 | 0.05590 | 0.33405 |
20 | 0.27743 | 0.88820 | 0.33405 |
21 | 0.44513 | 0.38923 | 0.33405 |
22 | 0.27743 | 0.38923 | 0.83405 |
23 | 0.94410 | 0.88820 | 0.83405 |
24 | 0.44513 | 0.05590 | 0.83405 |
(1/3,2/3,1/2)' + set click here to show and hide |
25 | 0.27743 | 0.72257 | 0.33405 |
26 | 0.61077 | 0.55487 | 0.33405 |
27 | 0.77847 | 0.05590 | 0.33405 |
28 | 0.61077 | 0.05590 | 0.83405 |
29 | 0.27743 | 0.55487 | 0.83405 |
30 | 0.77847 | 0.72257 | 0.83405 |
(2/3,1/3,1/2)' + set click here to show and hide |
31 | 0.61077 | 0.38923 | 0.33405 |
32 | 0.94410 | 0.22153 | 0.33405 |
33 | 0.11180 | 0.72257 | 0.33405 |
34 | 0.94410 | 0.72257 | 0.83405 |
35 | 0.61077 | 0.22153 | 0.83405 |
36 | 0.11180 | 0.38923 | 0.83405 |
Set of atoms in the unit cell related by symmetry with the atom O2_4:
Atom | x | y | z |
1 | 0.11180 | 0.05590 | 0.83405 |
2 | 0.27743 | 0.05590 | 0.83405 |
3 | 0.27743 | 0.22153 | 0.83405 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.44513 | 0.72257 | 0.83405 |
5 | 0.61077 | 0.72257 | 0.83405 |
6 | 0.61077 | 0.88820 | 0.83405 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.77847 | 0.38923 | 0.83405 |
8 | 0.94410 | 0.38923 | 0.83405 |
9 | 0.94410 | 0.55487 | 0.83405 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.11180 | 0.05590 | 0.33405 |
11 | 0.27743 | 0.05590 | 0.33405 |
12 | 0.27743 | 0.22153 | 0.33405 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.44513 | 0.72257 | 0.33405 |
14 | 0.61077 | 0.72257 | 0.33405 |
15 | 0.61077 | 0.88820 | 0.33405 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.77847 | 0.38923 | 0.33405 |
17 | 0.94410 | 0.38923 | 0.33405 |
18 | 0.94410 | 0.55487 | 0.33405 |
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