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 Ni1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.25000 | mx,0,0 | 1.86000 | 0.00000 | 0.00000 |
2 | 0.66667 | 0.66667 | 0.25000 | 0,mx,0 | 0.00000 | 1.86000 | 0.00000 |
3 | 0.00000 | 0.66667 | 0.25000 | -mx,-mx,0 | -1.86000 | -1.86000 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.25000 | mx,0,0 | 1.86000 | 0.00000 | 0.00000 |
5 | 0.00000 | 0.33333 | 0.25000 | 0,mx,0 | 0.00000 | 1.86000 | 0.00000 |
6 | 0.33333 | 0.33333 | 0.25000 | -mx,-mx,0 | -1.86000 | -1.86000 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.25000 | mx,0,0 | 1.86000 | 0.00000 | 0.00000 |
8 | 0.33333 | 0.00000 | 0.25000 | 0,mx,0 | 0.00000 | 1.86000 | 0.00000 |
9 | 0.66667 | 0.00000 | 0.25000 | -mx,-mx,0 | -1.86000 | -1.86000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.00000 | 0.00000 | 0.75000 | -mx,0,0 | -1.86000 | 0.00000 | 0.00000 |
11 | 0.66667 | 0.66667 | 0.75000 | 0,-mx,0 | 0.00000 | -1.86000 | 0.00000 |
12 | 0.00000 | 0.66667 | 0.75000 | mx,mx,0 | 1.86000 | 1.86000 | 0.00000 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.33333 | 0.66667 | 0.75000 | -mx,0,0 | -1.86000 | 0.00000 | 0.00000 |
14 | 0.00000 | 0.33333 | 0.75000 | 0,-mx,0 | 0.00000 | -1.86000 | 0.00000 |
15 | 0.33333 | 0.33333 | 0.75000 | mx,mx,0 | 1.86000 | 1.86000 | 0.00000 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.66667 | 0.33333 | 0.75000 | -mx,0,0 | -1.86000 | 0.00000 | 0.00000 |
17 | 0.33333 | 0.00000 | 0.75000 | 0,-mx,0 | 0.00000 | -1.86000 | 0.00000 |
18 | 0.66667 | 0.00000 | 0.75000 | mx,mx,0 | 1.86000 | 1.86000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1_1:
Atom | x | y | z |
1 | 0.11111 | 0.22222 | 0.33095 |
2 | 0.44445 | 0.55556 | 0.33095 |
3 | 0.11111 | 0.55556 | 0.33095 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.44444 | 0.88889 | 0.33095 |
5 | 0.77778 | 0.22222 | 0.33095 |
6 | 0.44444 | 0.22222 | 0.33095 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.77778 | 0.55555 | 0.33095 |
8 | 0.11111 | 0.88889 | 0.33095 |
9 | 0.77778 | 0.88889 | 0.33095 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.11111 | 0.22222 | 0.83095 |
11 | 0.44445 | 0.55556 | 0.83095 |
12 | 0.11111 | 0.55556 | 0.83095 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.44444 | 0.88889 | 0.83095 |
14 | 0.77778 | 0.22222 | 0.83095 |
15 | 0.44444 | 0.22222 | 0.83095 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.77778 | 0.55555 | 0.83095 |
17 | 0.11111 | 0.88889 | 0.83095 |
18 | 0.77778 | 0.88889 | 0.83095 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_2:
Atom | x | y | z |
1 | 0.22222 | 0.11111 | 0.66905 |
2 | 0.55556 | 0.44445 | 0.66905 |
(1/3,2/3,0) + set click here to show and hide |
3 | 0.55555 | 0.77778 | 0.66905 |
4 | 0.88889 | 0.11111 | 0.66905 |
(2/3,1/3,0) + set click here to show and hide |
5 | 0.88889 | 0.44444 | 0.66905 |
6 | 0.22222 | 0.77778 | 0.66905 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.22222 | 0.11111 | 0.16905 |
8 | 0.55556 | 0.44445 | 0.16905 |
(1/3,2/3,1/2)' + set click here to show and hide |
9 | 0.55555 | 0.77778 | 0.16905 |
10 | 0.88889 | 0.11111 | 0.16905 |
(2/3,1/3,1/2)' + set click here to show and hide |
11 | 0.88889 | 0.44444 | 0.16905 |
12 | 0.22222 | 0.77778 | 0.16905 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_3:
Atom | x | y | z |
1 | 0.22222 | 0.44444 | 0.66905 |
(1/3,2/3,0) + set click here to show and hide |
2 | 0.55555 | 0.11111 | 0.66905 |
(2/3,1/3,0) + set click here to show and hide |
3 | 0.88889 | 0.77777 | 0.66905 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.22222 | 0.44444 | 0.16905 |
(1/3,2/3,1/2)' + set click here to show and hide |
5 | 0.55555 | 0.11111 | 0.16905 |
(2/3,1/3,1/2)' + set click here to show and hide |
6 | 0.88889 | 0.77777 | 0.16905 |
Set of atoms in the unit cell related by symmetry with the atom Ba2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.66667 | 0.66667 | 0.00000 |
3 | 0.00000 | 0.66667 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.00000 |
5 | 0.00000 | 0.33333 | 0.00000 |
6 | 0.33333 | 0.33333 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.00000 |
8 | 0.33333 | 0.00000 | 0.00000 |
9 | 0.66667 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.00000 | 0.00000 | 0.50000 |
11 | 0.66667 | 0.66667 | 0.50000 |
12 | 0.00000 | 0.66667 | 0.50000 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.33333 | 0.66667 | 0.50000 |
14 | 0.00000 | 0.33333 | 0.50000 |
15 | 0.33333 | 0.33333 | 0.50000 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.66667 | 0.33333 | 0.50000 |
17 | 0.33333 | 0.00000 | 0.50000 |
18 | 0.66667 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Ta1_1:
Atom | x | y | z |
1 | 0.11111 | 0.22222 | 0.08625 |
2 | 0.44445 | 0.55556 | 0.08625 |
3 | 0.11111 | 0.55556 | 0.08625 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.44444 | 0.88889 | 0.08625 |
5 | 0.77778 | 0.22222 | 0.08625 |
6 | 0.44444 | 0.22222 | 0.08625 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.77778 | 0.55555 | 0.08625 |
8 | 0.11111 | 0.88889 | 0.08625 |
9 | 0.77778 | 0.88889 | 0.08625 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.11111 | 0.22222 | 0.58625 |
11 | 0.44445 | 0.55556 | 0.58625 |
12 | 0.11111 | 0.55556 | 0.58625 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.44444 | 0.88889 | 0.58625 |
14 | 0.77778 | 0.22222 | 0.58625 |
15 | 0.44444 | 0.22222 | 0.58625 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.77778 | 0.55555 | 0.58625 |
17 | 0.11111 | 0.88889 | 0.58625 |
18 | 0.77778 | 0.88889 | 0.58625 |
Set of atoms in the unit cell related by symmetry with the atom Ta1_2:
Atom | x | y | z |
1 | 0.22222 | 0.11111 | 0.91375 |
2 | 0.55556 | 0.44445 | 0.91375 |
(1/3,2/3,0) + set click here to show and hide |
3 | 0.55555 | 0.77778 | 0.91375 |
4 | 0.88889 | 0.11111 | 0.91375 |
(2/3,1/3,0) + set click here to show and hide |
5 | 0.88889 | 0.44444 | 0.91375 |
6 | 0.22222 | 0.77778 | 0.91375 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.22222 | 0.11111 | 0.41375 |
8 | 0.55556 | 0.44445 | 0.41375 |
(1/3,2/3,1/2)' + set click here to show and hide |
9 | 0.55555 | 0.77778 | 0.41375 |
10 | 0.88889 | 0.11111 | 0.41375 |
(2/3,1/3,1/2)' + set click here to show and hide |
11 | 0.88889 | 0.44444 | 0.41375 |
12 | 0.22222 | 0.77778 | 0.41375 |
Set of atoms in the unit cell related by symmetry with the atom Ta1_3:
Atom | x | y | z |
1 | 0.22222 | 0.44444 | 0.91375 |
(1/3,2/3,0) + set click here to show and hide |
2 | 0.55555 | 0.11111 | 0.91375 |
(2/3,1/3,0) + set click here to show and hide |
3 | 0.88889 | 0.77777 | 0.91375 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.22222 | 0.44444 | 0.41375 |
(1/3,2/3,1/2)' + set click here to show and hide |
5 | 0.55555 | 0.11111 | 0.41375 |
(2/3,1/3,1/2)' + set click here to show and hide |
6 | 0.88889 | 0.77777 | 0.41375 |
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 | 0.66667 | 0.83334 | 0.00000 |
3 | 0.83333 | 0.50000 | 0.00000 |
4 | 0.66667 | 0.50000 | 0.00000 |
5 | 0.16667 | 0.83334 | 0.00000 |
6 | 0.83333 | 0.00000 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.50000 | 0.66667 | 0.00000 |
8 | 0.00000 | 0.50000 | 0.00000 |
9 | 0.16666 | 0.16666 | 0.00000 |
10 | 0.00000 | 0.16666 | 0.00000 |
11 | 0.50000 | 0.50000 | 0.00000 |
12 | 0.16666 | 0.66667 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.83334 | 0.33333 | 0.00000 |
14 | 0.33333 | 0.16667 | 0.00000 |
15 | 0.50000 | 0.83333 | 0.00000 |
16 | 0.33333 | 0.83333 | 0.00000 |
17 | 0.83334 | 0.16667 | 0.00000 |
18 | 0.50000 | 0.33333 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.16667 | 0.00000 | 0.50000 |
20 | 0.66667 | 0.83334 | 0.50000 |
21 | 0.83333 | 0.50000 | 0.50000 |
22 | 0.66667 | 0.50000 | 0.50000 |
23 | 0.16667 | 0.83334 | 0.50000 |
24 | 0.83333 | 0.00000 | 0.50000 |
(1/3,2/3,1/2)' + set click here to show and hide |
25 | 0.50000 | 0.66667 | 0.50000 |
26 | 0.00000 | 0.50000 | 0.50000 |
27 | 0.16666 | 0.16666 | 0.50000 |
28 | 0.00000 | 0.16666 | 0.50000 |
29 | 0.50000 | 0.50000 | 0.50000 |
30 | 0.16666 | 0.66667 | 0.50000 |
(2/3,1/3,1/2)' + set click here to show and hide |
31 | 0.83334 | 0.33333 | 0.50000 |
32 | 0.33333 | 0.16667 | 0.50000 |
33 | 0.50000 | 0.83333 | 0.50000 |
34 | 0.33333 | 0.83333 | 0.50000 |
35 | 0.83334 | 0.16667 | 0.50000 |
36 | 0.50000 | 0.33333 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.16667 | 0.33333 | 0.00000 |
2 | 0.33334 | 0.50001 | 0.00000 |
3 | 0.16666 | 0.50000 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.50000 | 0.00000 | 0.00000 |
5 | 0.66667 | 0.16667 | 0.00000 |
6 | 0.49999 | 0.16666 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.83334 | 0.66666 | 0.00000 |
8 | 0.00000 | 0.83334 | 0.00000 |
9 | 0.83333 | 0.83333 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.16667 | 0.33333 | 0.50000 |
11 | 0.33334 | 0.50001 | 0.50000 |
12 | 0.16666 | 0.50000 | 0.50000 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.50000 | 0.00000 | 0.50000 |
14 | 0.66667 | 0.16667 | 0.50000 |
15 | 0.49999 | 0.16666 | 0.50000 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.83334 | 0.66666 | 0.50000 |
17 | 0.00000 | 0.83334 | 0.50000 |
18 | 0.83333 | 0.83333 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.05730 | 0.94270 | 0.16115 |
2 | 0.72397 | 0.78127 | 0.16115 |
3 | 0.88540 | 0.60937 | 0.16115 |
4 | 0.72397 | 0.60937 | 0.16115 |
5 | 0.05730 | 0.78127 | 0.16115 |
6 | 0.88540 | 0.94270 | 0.16115 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.39063 | 0.60937 | 0.16115 |
8 | 0.05730 | 0.44793 | 0.16115 |
9 | 0.21873 | 0.27603 | 0.16115 |
10 | 0.05730 | 0.27603 | 0.16115 |
11 | 0.39063 | 0.44793 | 0.16115 |
12 | 0.21873 | 0.60937 | 0.16115 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.72397 | 0.27603 | 0.16115 |
14 | 0.39063 | 0.11460 | 0.16115 |
15 | 0.55207 | 0.94270 | 0.16115 |
16 | 0.39063 | 0.94270 | 0.16115 |
17 | 0.72397 | 0.11460 | 0.16115 |
18 | 0.55207 | 0.27603 | 0.16115 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.05730 | 0.94270 | 0.66115 |
20 | 0.72397 | 0.78127 | 0.66115 |
21 | 0.88540 | 0.60937 | 0.66115 |
22 | 0.72397 | 0.60937 | 0.66115 |
23 | 0.05730 | 0.78127 | 0.66115 |
24 | 0.88540 | 0.94270 | 0.66115 |
(1/3,2/3,1/2)' + set click here to show and hide |
25 | 0.39063 | 0.60937 | 0.66115 |
26 | 0.05730 | 0.44793 | 0.66115 |
27 | 0.21873 | 0.27603 | 0.66115 |
28 | 0.05730 | 0.27603 | 0.66115 |
29 | 0.39063 | 0.44793 | 0.66115 |
30 | 0.21873 | 0.60937 | 0.66115 |
(2/3,1/3,1/2)' + set click here to show and hide |
31 | 0.72397 | 0.27603 | 0.66115 |
32 | 0.39063 | 0.11460 | 0.66115 |
33 | 0.55207 | 0.94270 | 0.66115 |
34 | 0.39063 | 0.94270 | 0.66115 |
35 | 0.72397 | 0.11460 | 0.66115 |
36 | 0.55207 | 0.27603 | 0.66115 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.05730 | 0.11460 | 0.16115 |
2 | 0.55207 | 0.60937 | 0.16115 |
3 | 0.05730 | 0.60937 | 0.16115 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.39063 | 0.78127 | 0.16115 |
5 | 0.88540 | 0.27603 | 0.16115 |
6 | 0.39063 | 0.27603 | 0.16115 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.72397 | 0.44793 | 0.16115 |
8 | 0.21873 | 0.94270 | 0.16115 |
9 | 0.72397 | 0.94270 | 0.16115 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.05730 | 0.11460 | 0.66115 |
11 | 0.55207 | 0.60937 | 0.66115 |
12 | 0.05730 | 0.60937 | 0.66115 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.39063 | 0.78127 | 0.66115 |
14 | 0.88540 | 0.27603 | 0.66115 |
15 | 0.39063 | 0.27603 | 0.66115 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.72397 | 0.44793 | 0.66115 |
17 | 0.21873 | 0.94270 | 0.66115 |
18 | 0.72397 | 0.94270 | 0.66115 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.94270 | 0.05730 | 0.83885 |
2 | 0.60937 | 0.55207 | 0.83885 |
3 | 0.11460 | 0.72397 | 0.83885 |
4 | 0.60937 | 0.72397 | 0.83885 |
5 | 0.94270 | 0.55207 | 0.83885 |
6 | 0.11460 | 0.05730 | 0.83885 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.27603 | 0.72397 | 0.83885 |
8 | 0.94270 | 0.21873 | 0.83885 |
9 | 0.44793 | 0.39063 | 0.83885 |
10 | 0.94270 | 0.39063 | 0.83885 |
11 | 0.27603 | 0.21873 | 0.83885 |
12 | 0.44793 | 0.72397 | 0.83885 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.60937 | 0.39063 | 0.83885 |
14 | 0.27603 | 0.88540 | 0.83885 |
15 | 0.78127 | 0.05730 | 0.83885 |
16 | 0.27603 | 0.05730 | 0.83885 |
17 | 0.60937 | 0.88540 | 0.83885 |
18 | 0.78127 | 0.39063 | 0.83885 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.94270 | 0.05730 | 0.33885 |
20 | 0.60937 | 0.55207 | 0.33885 |
21 | 0.11460 | 0.72397 | 0.33885 |
22 | 0.60937 | 0.72397 | 0.33885 |
23 | 0.94270 | 0.55207 | 0.33885 |
24 | 0.11460 | 0.05730 | 0.33885 |
(1/3,2/3,1/2)' + set click here to show and hide |
25 | 0.27603 | 0.72397 | 0.33885 |
26 | 0.94270 | 0.21873 | 0.33885 |
27 | 0.44793 | 0.39063 | 0.33885 |
28 | 0.94270 | 0.39063 | 0.33885 |
29 | 0.27603 | 0.21873 | 0.33885 |
30 | 0.44793 | 0.72397 | 0.33885 |
(2/3,1/3,1/2)' + set click here to show and hide |
31 | 0.60937 | 0.39063 | 0.33885 |
32 | 0.27603 | 0.88540 | 0.33885 |
33 | 0.78127 | 0.05730 | 0.33885 |
34 | 0.27603 | 0.05730 | 0.33885 |
35 | 0.60937 | 0.88540 | 0.33885 |
36 | 0.78127 | 0.39063 | 0.33885 |
Set of atoms in the unit cell related by symmetry with the atom O2_4:
Atom | x | y | z |
1 | 0.94270 | 0.88540 | 0.83885 |
2 | 0.78127 | 0.72397 | 0.83885 |
3 | 0.94270 | 0.72397 | 0.83885 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.27603 | 0.55207 | 0.83885 |
5 | 0.11460 | 0.39063 | 0.83885 |
6 | 0.27603 | 0.39063 | 0.83885 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.60937 | 0.21873 | 0.83885 |
8 | 0.44793 | 0.05730 | 0.83885 |
9 | 0.60937 | 0.05730 | 0.83885 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.94270 | 0.88540 | 0.33885 |
11 | 0.78127 | 0.72397 | 0.33885 |
12 | 0.94270 | 0.72397 | 0.33885 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.27603 | 0.55207 | 0.33885 |
14 | 0.11460 | 0.39063 | 0.33885 |
15 | 0.27603 | 0.39063 | 0.33885 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.60937 | 0.21873 | 0.33885 |
17 | 0.44793 | 0.05730 | 0.33885 |
18 | 0.60937 | 0.05730 | 0.33885 |
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