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 Nd:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.08680 | 0.33680 | 0.00000 | mx,my,0 | 1.34000 | -1.34000 | 0.00000 |
2 | 0.16320 | 0.58680 | 0.00000 | -my,mx,0 | 1.34000 | 1.34000 | 0.00000 |
3 | 0.83680 | 0.41320 | 0.00000 | my,-mx,0 | -1.34000 | -1.34000 | 0.00000 |
4 | 0.33680 | 0.58680 | 0.50000 | my,mx,0 | -1.34000 | 1.34000 | 0.00000 |
5 | 0.66320 | 0.41320 | 0.50000 | -my,-mx,0 | 1.34000 | -1.34000 | 0.00000 |
6 | 0.91320 | 0.66320 | 0.00000 | -mx,-my,0 | -1.34000 | 1.34000 | 0.00000 |
7 | 0.91320 | 0.83680 | 0.50000 | -mx,my,0 | -1.34000 | -1.34000 | 0.00000 |
8 | 0.08680 | 0.16320 | 0.50000 | mx,-my,0 | 1.34000 | 1.34000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
9 | 0.58680 | 0.83680 | 0.00000 | mx,my,0 | 1.34000 | -1.34000 | 0.00000 |
10 | 0.66320 | 0.08680 | 0.00000 | -my,mx,0 | 1.34000 | 1.34000 | 0.00000 |
11 | 0.33680 | 0.91320 | 0.00000 | my,-mx,0 | -1.34000 | -1.34000 | 0.00000 |
12 | 0.83680 | 0.08680 | 0.50000 | my,mx,0 | -1.34000 | 1.34000 | 0.00000 |
13 | 0.16320 | 0.91320 | 0.50000 | -my,-mx,0 | 1.34000 | -1.34000 | 0.00000 |
14 | 0.41320 | 0.16320 | 0.00000 | -mx,-my,0 | -1.34000 | 1.34000 | 0.00000 |
15 | 0.41320 | 0.33680 | 0.50000 | -mx,my,0 | -1.34000 | -1.34000 | 0.00000 |
16 | 0.58680 | 0.66320 | 0.50000 | mx,-my,0 | 1.34000 | 1.34000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
17 | 0.08680 | 0.83680 | 0.00000 | -mx,-my,0 | -1.34000 | 1.34000 | 0.00000 |
18 | 0.16320 | 0.08680 | 0.00000 | my,-mx,0 | -1.34000 | -1.34000 | 0.00000 |
19 | 0.83680 | 0.91320 | 0.00000 | -my,mx,0 | 1.34000 | 1.34000 | 0.00000 |
20 | 0.33680 | 0.08680 | 0.50000 | -my,-mx,0 | 1.34000 | -1.34000 | 0.00000 |
21 | 0.66320 | 0.91320 | 0.50000 | my,mx,0 | -1.34000 | 1.34000 | 0.00000 |
22 | 0.91320 | 0.16320 | 0.00000 | mx,my,0 | 1.34000 | -1.34000 | 0.00000 |
23 | 0.91320 | 0.33680 | 0.50000 | mx,-my,0 | 1.34000 | 1.34000 | 0.00000 |
24 | 0.08680 | 0.66320 | 0.50000 | -mx,my,0 | -1.34000 | -1.34000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
25 | 0.58680 | 0.33680 | 0.00000 | -mx,-my,0 | -1.34000 | 1.34000 | 0.00000 |
26 | 0.66320 | 0.58680 | 0.00000 | my,-mx,0 | -1.34000 | -1.34000 | 0.00000 |
27 | 0.33680 | 0.41320 | 0.00000 | -my,mx,0 | 1.34000 | 1.34000 | 0.00000 |
28 | 0.83680 | 0.58680 | 0.50000 | -my,-mx,0 | 1.34000 | -1.34000 | 0.00000 |
29 | 0.16320 | 0.41320 | 0.50000 | my,mx,0 | -1.34000 | 1.34000 | 0.00000 |
30 | 0.41320 | 0.66320 | 0.00000 | mx,my,0 | 1.34000 | -1.34000 | 0.00000 |
31 | 0.41320 | 0.83680 | 0.50000 | mx,-my,0 | 1.34000 | 1.34000 | 0.00000 |
32 | 0.58680 | 0.16320 | 0.50000 | -mx,my,0 | -1.34000 | -1.34000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.50000 | 0.75000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.25000 |
4 | 0.50000 | 0.00000 | 0.75000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.25000 |
6 | 0.00000 | 0.00000 | 0.75000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.25000 |
8 | 0.50000 | 0.50000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Ba_2:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.75000 |
2 | 0.75000 | 0.25000 | 0.25000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.75000 | 0.75000 | 0.75000 |
4 | 0.25000 | 0.75000 | 0.25000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.25000 | 0.75000 | 0.75000 |
6 | 0.75000 | 0.75000 | 0.25000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.75000 |
8 | 0.25000 | 0.25000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Zn:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.25000 |
2 | 0.25000 | 0.50000 | 0.25000 |
3 | 0.00000 | 0.25000 | 0.75000 |
4 | 0.25000 | 0.50000 | 0.75000 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.50000 | 0.75000 | 0.25000 |
6 | 0.75000 | 0.00000 | 0.25000 |
7 | 0.50000 | 0.75000 | 0.75000 |
8 | 0.75000 | 0.00000 | 0.75000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.00000 | 0.75000 | 0.25000 |
10 | 0.25000 | 0.00000 | 0.25000 |
11 | 0.00000 | 0.75000 | 0.75000 |
12 | 0.25000 | 0.00000 | 0.75000 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.25000 | 0.25000 |
14 | 0.75000 | 0.50000 | 0.25000 |
15 | 0.50000 | 0.25000 | 0.75000 |
16 | 0.75000 | 0.50000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.00000 |
4 | 0.50000 | 0.00000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.00000 |
6 | 0.00000 | 0.00000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.00000 |
8 | 0.50000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.50000 |
2 | 0.25000 | 0.75000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.75000 | 0.75000 | 0.50000 |
4 | 0.75000 | 0.25000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.25000 | 0.75000 | 0.50000 |
6 | 0.25000 | 0.25000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.50000 |
8 | 0.75000 | 0.75000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.17735 | 0.42735 | 0.13120 |
2 | 0.07265 | 0.67735 | 0.13120 |
3 | 0.92735 | 0.32265 | 0.13120 |
4 | 0.42735 | 0.67735 | 0.36880 |
5 | 0.57265 | 0.32265 | 0.36880 |
6 | 0.82265 | 0.57265 | 0.13120 |
7 | 0.82265 | 0.92735 | 0.36880 |
8 | 0.17735 | 0.07265 | 0.36880 |
9 | 0.82265 | 0.07265 | 0.86880 |
10 | 0.42735 | 0.32265 | 0.86880 |
11 | 0.57265 | 0.67735 | 0.86880 |
12 | 0.07265 | 0.32265 | 0.63120 |
13 | 0.92735 | 0.67735 | 0.63120 |
14 | 0.17735 | 0.92735 | 0.86880 |
15 | 0.17735 | 0.57265 | 0.63120 |
16 | 0.82265 | 0.42735 | 0.63120 |
(1/2,1/2,0) + set click here to show and hide |
17 | 0.67735 | 0.92735 | 0.13120 |
18 | 0.57265 | 0.17735 | 0.13120 |
19 | 0.42735 | 0.82265 | 0.13120 |
20 | 0.92735 | 0.17735 | 0.36880 |
21 | 0.07265 | 0.82265 | 0.36880 |
22 | 0.32265 | 0.07265 | 0.13120 |
23 | 0.32265 | 0.42735 | 0.36880 |
24 | 0.67735 | 0.57265 | 0.36880 |
25 | 0.32265 | 0.57265 | 0.86880 |
26 | 0.92735 | 0.82265 | 0.86880 |
27 | 0.07265 | 0.17735 | 0.86880 |
28 | 0.57265 | 0.82265 | 0.63120 |
29 | 0.42735 | 0.17735 | 0.63120 |
30 | 0.67735 | 0.42735 | 0.86880 |
31 | 0.67735 | 0.07265 | 0.63120 |
32 | 0.32265 | 0.92735 | 0.63120 |
(0,1/2,0)' + set click here to show and hide |
33 | 0.17735 | 0.92735 | 0.13120 |
34 | 0.07265 | 0.17735 | 0.13120 |
35 | 0.92735 | 0.82265 | 0.13120 |
36 | 0.42735 | 0.17735 | 0.36880 |
37 | 0.57265 | 0.82265 | 0.36880 |
38 | 0.82265 | 0.07265 | 0.13120 |
39 | 0.82265 | 0.42735 | 0.36880 |
40 | 0.17735 | 0.57265 | 0.36880 |
41 | 0.82265 | 0.57265 | 0.86880 |
42 | 0.42735 | 0.82265 | 0.86880 |
43 | 0.57265 | 0.17735 | 0.86880 |
44 | 0.07265 | 0.82265 | 0.63120 |
45 | 0.92735 | 0.17735 | 0.63120 |
46 | 0.17735 | 0.42735 | 0.86880 |
47 | 0.17735 | 0.07265 | 0.63120 |
48 | 0.82265 | 0.92735 | 0.63120 |
(1/2,0,0)' + set click here to show and hide |
49 | 0.67735 | 0.42735 | 0.13120 |
50 | 0.57265 | 0.67735 | 0.13120 |
51 | 0.42735 | 0.32265 | 0.13120 |
52 | 0.92735 | 0.67735 | 0.36880 |
53 | 0.07265 | 0.32265 | 0.36880 |
54 | 0.32265 | 0.57265 | 0.13120 |
55 | 0.32265 | 0.92735 | 0.36880 |
56 | 0.67735 | 0.07265 | 0.36880 |
57 | 0.32265 | 0.07265 | 0.86880 |
58 | 0.92735 | 0.32265 | 0.86880 |
59 | 0.07265 | 0.67735 | 0.86880 |
60 | 0.57265 | 0.32265 | 0.63120 |
61 | 0.42735 | 0.67735 | 0.63120 |
62 | 0.67735 | 0.92735 | 0.86880 |
63 | 0.67735 | 0.57265 | 0.63120 |
64 | 0.32265 | 0.42735 | 0.63120 |
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