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,2mx,mz | 1.04000 | 2.08000 | 0.00000 |
2 | 0.33333 | 0.33333 | 0.25000 | -2mx,-mx,mz | -2.08000 | -1.04000 | 0.00000 |
3 | 0.00000 | 0.33333 | 0.25000 | mx,-mx,mz | 1.04000 | -1.04000 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.25000 | mx,2mx,mz | 1.04000 | 2.08000 | 0.00000 |
5 | 0.66667 | 0.00000 | 0.25000 | -2mx,-mx,mz | -2.08000 | -1.04000 | 0.00000 |
6 | 0.33333 | 0.00000 | 0.25000 | mx,-mx,mz | 1.04000 | -1.04000 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.25000 | mx,2mx,mz | 1.04000 | 2.08000 | 0.00000 |
8 | 0.00000 | 0.66667 | 0.25000 | -2mx,-mx,mz | -2.08000 | -1.04000 | 0.00000 |
9 | 0.66667 | 0.66667 | 0.25000 | mx,-mx,mz | 1.04000 | -1.04000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.00000 | 0.00000 | 0.75000 | -mx,-2mx,-mz | -1.04000 | -2.08000 | 0.00000 |
11 | 0.33333 | 0.33333 | 0.75000 | 2mx,mx,-mz | 2.08000 | 1.04000 | 0.00000 |
12 | 0.00000 | 0.33333 | 0.75000 | -mx,mx,-mz | -1.04000 | 1.04000 | 0.00000 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.33333 | 0.66667 | 0.75000 | -mx,-2mx,-mz | -1.04000 | -2.08000 | 0.00000 |
14 | 0.66667 | 0.00000 | 0.75000 | 2mx,mx,-mz | 2.08000 | 1.04000 | 0.00000 |
15 | 0.33333 | 0.00000 | 0.75000 | -mx,mx,-mz | -1.04000 | 1.04000 | 0.00000 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.66667 | 0.33333 | 0.75000 | -mx,-2mx,-mz | -1.04000 | -2.08000 | 0.00000 |
17 | 0.00000 | 0.66667 | 0.75000 | 2mx,mx,-mz | 2.08000 | 1.04000 | 0.00000 |
18 | 0.66667 | 0.66667 | 0.75000 | -mx,mx,-mz | -1.04000 | 1.04000 | 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 | 0.83190 |
(1/3,2/3,0) + set click here to show and hide |
2 | 0.44444 | 0.88889 | 0.83190 |
(2/3,1/3,0) + set click here to show and hide |
3 | 0.77778 | 0.55555 | 0.83190 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.11111 | 0.22222 | 0.33190 |
(1/3,2/3,1/2)' + set click here to show and hide |
5 | 0.44444 | 0.88889 | 0.33190 |
(2/3,1/3,1/2)' + set click here to show and hide |
6 | 0.77778 | 0.55555 | 0.33190 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_2:
Atom | x | y | z |
1 | 0.44444 | 0.22222 | 0.83190 |
2 | 0.77778 | 0.22222 | 0.33190 |
(1/3,2/3,0) + set click here to show and hide |
3 | 0.77777 | 0.88889 | 0.83190 |
4 | 0.11111 | 0.88889 | 0.33190 |
(2/3,1/3,0) + set click here to show and hide |
5 | 0.11111 | 0.55555 | 0.83190 |
6 | 0.44445 | 0.55555 | 0.33190 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.44444 | 0.22222 | 0.33190 |
8 | 0.77778 | 0.22222 | 0.83190 |
(1/3,2/3,1/2)' + set click here to show and hide |
9 | 0.77777 | 0.88889 | 0.33190 |
10 | 0.11111 | 0.88889 | 0.83190 |
(2/3,1/3,1/2)' + set click here to show and hide |
11 | 0.11111 | 0.55555 | 0.33190 |
12 | 0.44445 | 0.55555 | 0.83190 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_3:
Atom | x | y | z |
1 | 0.88889 | 0.77778 | 0.16810 |
2 | 0.55555 | 0.44444 | 0.16810 |
3 | 0.88889 | 0.44444 | 0.16810 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.22222 | 0.44445 | 0.16810 |
5 | 0.88889 | 0.11111 | 0.16810 |
6 | 0.22222 | 0.11111 | 0.16810 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.55556 | 0.11111 | 0.16810 |
8 | 0.22222 | 0.77778 | 0.16810 |
9 | 0.55556 | 0.77778 | 0.16810 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.88889 | 0.77778 | 0.66810 |
11 | 0.55555 | 0.44444 | 0.66810 |
12 | 0.88889 | 0.44444 | 0.66810 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.22222 | 0.44445 | 0.66810 |
14 | 0.88889 | 0.11111 | 0.66810 |
15 | 0.22222 | 0.11111 | 0.66810 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.55556 | 0.11111 | 0.66810 |
17 | 0.22222 | 0.77778 | 0.66810 |
18 | 0.55556 | 0.77778 | 0.66810 |
Set of atoms in the unit cell related by symmetry with the atom Ba2_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.33333 | 0.33333 | 0.00000 |
3 | 0.00000 | 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 | 0.00000 | 0.00000 |
6 | 0.33333 | 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 | 0.66667 | 0.00000 |
9 | 0.66667 | 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 | 0.33333 | 0.50000 |
12 | 0.00000 | 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 | 0.00000 | 0.50000 |
15 | 0.33333 | 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 | 0.66667 | 0.50000 |
18 | 0.66667 | 0.66667 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Nb2_1:
Atom | x | y | z |
1 | 0.11111 | 0.22222 | 0.08850 |
(1/3,2/3,0) + set click here to show and hide |
2 | 0.44444 | 0.88889 | 0.08850 |
(2/3,1/3,0) + set click here to show and hide |
3 | 0.77778 | 0.55555 | 0.08850 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.11111 | 0.22222 | 0.58850 |
(1/3,2/3,1/2)' + set click here to show and hide |
5 | 0.44444 | 0.88889 | 0.58850 |
(2/3,1/3,1/2)' + set click here to show and hide |
6 | 0.77778 | 0.55555 | 0.58850 |
Set of atoms in the unit cell related by symmetry with the atom Nb2_2:
Atom | x | y | z |
1 | 0.44444 | 0.22222 | 0.08850 |
2 | 0.77778 | 0.22222 | 0.58850 |
(1/3,2/3,0) + set click here to show and hide |
3 | 0.77777 | 0.88889 | 0.08850 |
4 | 0.11111 | 0.88889 | 0.58850 |
(2/3,1/3,0) + set click here to show and hide |
5 | 0.11111 | 0.55555 | 0.08850 |
6 | 0.44445 | 0.55555 | 0.58850 |
(0,0,1/2)' + set click here to show and hide |
7 | 0.44444 | 0.22222 | 0.58850 |
8 | 0.77778 | 0.22222 | 0.08850 |
(1/3,2/3,1/2)' + set click here to show and hide |
9 | 0.77777 | 0.88889 | 0.58850 |
10 | 0.11111 | 0.88889 | 0.08850 |
(2/3,1/3,1/2)' + set click here to show and hide |
11 | 0.11111 | 0.55555 | 0.58850 |
12 | 0.44445 | 0.55555 | 0.08850 |
Set of atoms in the unit cell related by symmetry with the atom Nb2_3:
Atom | x | y | z |
1 | 0.88889 | 0.77778 | 0.91150 |
2 | 0.55555 | 0.44444 | 0.91150 |
3 | 0.88889 | 0.44444 | 0.91150 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.22222 | 0.44445 | 0.91150 |
5 | 0.88889 | 0.11111 | 0.91150 |
6 | 0.22222 | 0.11111 | 0.91150 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.55556 | 0.11111 | 0.91150 |
8 | 0.22222 | 0.77778 | 0.91150 |
9 | 0.55556 | 0.77778 | 0.91150 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.88889 | 0.77778 | 0.41150 |
11 | 0.55555 | 0.44444 | 0.41150 |
12 | 0.88889 | 0.44444 | 0.41150 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.22222 | 0.44445 | 0.41150 |
14 | 0.88889 | 0.11111 | 0.41150 |
15 | 0.22222 | 0.11111 | 0.41150 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.55556 | 0.11111 | 0.41150 |
17 | 0.22222 | 0.77778 | 0.41150 |
18 | 0.55556 | 0.77778 | 0.41150 |
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 | 0.50000 | 0.00000 |
3 | 0.83333 | 0.16666 | 0.00000 |
4 | 0.83333 | 0.00000 | 0.50000 |
5 | 0.33333 | 0.16666 | 0.50000 |
6 | 0.16667 | 0.50000 | 0.50000 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.50000 | 0.66667 | 0.00000 |
8 | 0.66667 | 0.16667 | 0.00000 |
9 | 0.16666 | 0.83333 | 0.00000 |
10 | 0.16666 | 0.66667 | 0.50000 |
11 | 0.66667 | 0.83333 | 0.50000 |
12 | 0.50000 | 0.16667 | 0.50000 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.83334 | 0.33333 | 0.00000 |
14 | 0.00000 | 0.83334 | 0.00000 |
15 | 0.50000 | 0.50000 | 0.00000 |
16 | 0.50000 | 0.33333 | 0.50000 |
17 | 0.00000 | 0.50000 | 0.50000 |
18 | 0.83334 | 0.83334 | 0.50000 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.16667 | 0.00000 | 0.50000 |
20 | 0.33333 | 0.50000 | 0.50000 |
21 | 0.83333 | 0.16666 | 0.50000 |
22 | 0.83333 | 0.00000 | 0.00000 |
23 | 0.33333 | 0.16666 | 0.00000 |
24 | 0.16667 | 0.50000 | 0.00000 |
(1/3,2/3,1/2)' + set click here to show and hide |
25 | 0.50000 | 0.66667 | 0.50000 |
26 | 0.66667 | 0.16667 | 0.50000 |
27 | 0.16666 | 0.83333 | 0.50000 |
28 | 0.16666 | 0.66667 | 0.00000 |
29 | 0.66667 | 0.83333 | 0.00000 |
30 | 0.50000 | 0.16667 | 0.00000 |
(2/3,1/3,1/2)' + set click here to show and hide |
31 | 0.83334 | 0.33333 | 0.50000 |
32 | 0.00000 | 0.83334 | 0.50000 |
33 | 0.50000 | 0.50000 | 0.50000 |
34 | 0.50000 | 0.33333 | 0.00000 |
35 | 0.00000 | 0.50000 | 0.00000 |
36 | 0.83334 | 0.83334 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.83333 | 0.66667 | 0.00000 |
2 | 0.66666 | 0.49999 | 0.00000 |
3 | 0.83334 | 0.50000 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.16666 | 0.33334 | 0.00000 |
5 | 0.00000 | 0.16666 | 0.00000 |
6 | 0.16667 | 0.16667 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.00000 |
8 | 0.33333 | 0.83333 | 0.00000 |
9 | 0.50001 | 0.83334 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.83333 | 0.66667 | 0.50000 |
11 | 0.66666 | 0.49999 | 0.50000 |
12 | 0.83334 | 0.50000 | 0.50000 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.16666 | 0.33334 | 0.50000 |
14 | 0.00000 | 0.16666 | 0.50000 |
15 | 0.16667 | 0.16667 | 0.50000 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.50000 | 0.00000 | 0.50000 |
17 | 0.33333 | 0.83333 | 0.50000 |
18 | 0.50001 | 0.83334 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.05660 | 0.94340 | 0.16312 |
2 | 0.38993 | 0.44653 | 0.16312 |
3 | 0.88680 | 0.27673 | 0.16312 |
4 | 0.88680 | 0.94340 | 0.66312 |
5 | 0.38993 | 0.27673 | 0.66312 |
6 | 0.05660 | 0.44653 | 0.66312 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.38993 | 0.61007 | 0.16312 |
8 | 0.72327 | 0.11320 | 0.16312 |
9 | 0.22013 | 0.94340 | 0.16312 |
10 | 0.22013 | 0.61007 | 0.66312 |
11 | 0.72327 | 0.94340 | 0.66312 |
12 | 0.38993 | 0.11320 | 0.66312 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.72327 | 0.27673 | 0.16312 |
14 | 0.05660 | 0.77987 | 0.16312 |
15 | 0.55347 | 0.61007 | 0.16312 |
16 | 0.55347 | 0.27673 | 0.66312 |
17 | 0.05660 | 0.61007 | 0.66312 |
18 | 0.72327 | 0.77987 | 0.66312 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.05660 | 0.94340 | 0.66312 |
20 | 0.38993 | 0.44653 | 0.66312 |
21 | 0.88680 | 0.27673 | 0.66312 |
22 | 0.88680 | 0.94340 | 0.16312 |
23 | 0.38993 | 0.27673 | 0.16312 |
24 | 0.05660 | 0.44653 | 0.16312 |
(1/3,2/3,1/2)' + set click here to show and hide |
25 | 0.38993 | 0.61007 | 0.66312 |
26 | 0.72327 | 0.11320 | 0.66312 |
27 | 0.22013 | 0.94340 | 0.66312 |
28 | 0.22013 | 0.61007 | 0.16312 |
29 | 0.72327 | 0.94340 | 0.16312 |
30 | 0.38993 | 0.11320 | 0.16312 |
(2/3,1/3,1/2)' + set click here to show and hide |
31 | 0.72327 | 0.27673 | 0.66312 |
32 | 0.05660 | 0.77987 | 0.66312 |
33 | 0.55347 | 0.61007 | 0.66312 |
34 | 0.55347 | 0.27673 | 0.16312 |
35 | 0.05660 | 0.61007 | 0.16312 |
36 | 0.72327 | 0.77987 | 0.16312 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.05660 | 0.11320 | 0.16312 |
2 | 0.22013 | 0.27673 | 0.16312 |
3 | 0.05660 | 0.27673 | 0.16312 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.38993 | 0.77987 | 0.16312 |
5 | 0.55347 | 0.94340 | 0.16312 |
6 | 0.38993 | 0.94340 | 0.16312 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.72327 | 0.44653 | 0.16312 |
8 | 0.88680 | 0.61007 | 0.16312 |
9 | 0.72327 | 0.61007 | 0.16312 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.05660 | 0.11320 | 0.66312 |
11 | 0.22013 | 0.27673 | 0.66312 |
12 | 0.05660 | 0.27673 | 0.66312 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.38993 | 0.77987 | 0.66312 |
14 | 0.55347 | 0.94340 | 0.66312 |
15 | 0.38993 | 0.94340 | 0.66312 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.72327 | 0.44653 | 0.66312 |
17 | 0.88680 | 0.61007 | 0.66312 |
18 | 0.72327 | 0.61007 | 0.66312 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.11320 | 0.05660 | 0.83688 |
2 | 0.27673 | 0.38993 | 0.83688 |
3 | 0.94340 | 0.22013 | 0.83688 |
4 | 0.94340 | 0.05660 | 0.33688 |
5 | 0.27673 | 0.22013 | 0.33688 |
6 | 0.11320 | 0.38993 | 0.33688 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.44653 | 0.72327 | 0.83688 |
8 | 0.61007 | 0.05660 | 0.83688 |
9 | 0.27673 | 0.88680 | 0.83688 |
10 | 0.27673 | 0.72327 | 0.33688 |
11 | 0.61007 | 0.88680 | 0.33688 |
12 | 0.44653 | 0.05660 | 0.33688 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.77987 | 0.38993 | 0.83688 |
14 | 0.94340 | 0.72327 | 0.83688 |
15 | 0.61007 | 0.55347 | 0.83688 |
16 | 0.61007 | 0.38993 | 0.33688 |
17 | 0.94340 | 0.55347 | 0.33688 |
18 | 0.77987 | 0.72327 | 0.33688 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.11320 | 0.05660 | 0.33688 |
20 | 0.27673 | 0.38993 | 0.33688 |
21 | 0.94340 | 0.22013 | 0.33688 |
22 | 0.94340 | 0.05660 | 0.83688 |
23 | 0.27673 | 0.22013 | 0.83688 |
24 | 0.11320 | 0.38993 | 0.83688 |
(1/3,2/3,1/2)' + set click here to show and hide |
25 | 0.44653 | 0.72327 | 0.33688 |
26 | 0.61007 | 0.05660 | 0.33688 |
27 | 0.27673 | 0.88680 | 0.33688 |
28 | 0.27673 | 0.72327 | 0.83688 |
29 | 0.61007 | 0.88680 | 0.83688 |
30 | 0.44653 | 0.05660 | 0.83688 |
(2/3,1/3,1/2)' + set click here to show and hide |
31 | 0.77987 | 0.38993 | 0.33688 |
32 | 0.94340 | 0.72327 | 0.33688 |
33 | 0.61007 | 0.55347 | 0.33688 |
34 | 0.61007 | 0.38993 | 0.83688 |
35 | 0.94340 | 0.55347 | 0.83688 |
36 | 0.77987 | 0.72327 | 0.83688 |
Set of atoms in the unit cell related by symmetry with the atom O2_4:
Atom | x | y | z |
1 | 0.94340 | 0.88680 | 0.83688 |
2 | 0.44653 | 0.38993 | 0.83688 |
3 | 0.94340 | 0.38993 | 0.83688 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.27673 | 0.55347 | 0.83688 |
5 | 0.77987 | 0.05660 | 0.83688 |
6 | 0.27673 | 0.05660 | 0.83688 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.61007 | 0.22013 | 0.83688 |
8 | 0.11320 | 0.72327 | 0.83688 |
9 | 0.61007 | 0.72327 | 0.83688 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.94340 | 0.88680 | 0.33688 |
11 | 0.44653 | 0.38993 | 0.33688 |
12 | 0.94340 | 0.38993 | 0.33688 |
(1/3,2/3,1/2)' + set click here to show and hide |
13 | 0.27673 | 0.55347 | 0.33688 |
14 | 0.77987 | 0.05660 | 0.33688 |
15 | 0.27673 | 0.05660 | 0.33688 |
(2/3,1/3,1/2)' + set click here to show and hide |
16 | 0.61007 | 0.22013 | 0.33688 |
17 | 0.11320 | 0.72327 | 0.33688 |
18 | 0.61007 | 0.72327 | 0.33688 |
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