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 Nd1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.07915 | 0.32915 | 0.00000 | mx,my,0 | 1.85000 | -1.85000 | 0.00000 |
2 | 0.92085 | 0.67085 | 0.00000 | -mx,-my,0 | -1.85000 | 1.85000 | 0.00000 |
3 | 0.32915 | 0.92085 | 0.00000 | -my,mx,0 | 1.85000 | 1.85000 | 0.00000 |
4 | 0.67085 | 0.07915 | 0.00000 | my,-mx,0 | -1.85000 | -1.85000 | 0.00000 |
5 | 0.32915 | 0.07915 | 0.50000 | my,mx,0 | -1.85000 | 1.85000 | 0.00000 |
6 | 0.07915 | 0.67085 | 0.50000 | -mx,my,0 | -1.85000 | -1.85000 | 0.00000 |
7 | 0.92085 | 0.32915 | 0.50000 | mx,-my,0 | 1.85000 | 1.85000 | 0.00000 |
8 | 0.67085 | 0.92085 | 0.50000 | -my,-mx,0 | 1.85000 | -1.85000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
9 | 0.57915 | 0.82915 | 0.00000 | mx,my,0 | 1.85000 | -1.85000 | 0.00000 |
10 | 0.42085 | 0.17085 | 0.00000 | -mx,-my,0 | -1.85000 | 1.85000 | 0.00000 |
11 | 0.82915 | 0.42085 | 0.00000 | -my,mx,0 | 1.85000 | 1.85000 | 0.00000 |
12 | 0.17085 | 0.57915 | 0.00000 | my,-mx,0 | -1.85000 | -1.85000 | 0.00000 |
13 | 0.82915 | 0.57915 | 0.50000 | my,mx,0 | -1.85000 | 1.85000 | 0.00000 |
14 | 0.57915 | 0.17085 | 0.50000 | -mx,my,0 | -1.85000 | -1.85000 | 0.00000 |
15 | 0.42085 | 0.82915 | 0.50000 | mx,-my,0 | 1.85000 | 1.85000 | 0.00000 |
16 | 0.17085 | 0.42085 | 0.50000 | -my,-mx,0 | 1.85000 | -1.85000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
17 | 0.07915 | 0.82915 | 0.00000 | -mx,-my,0 | -1.85000 | 1.85000 | 0.00000 |
18 | 0.92085 | 0.17085 | 0.00000 | mx,my,0 | 1.85000 | -1.85000 | 0.00000 |
19 | 0.32915 | 0.42085 | 0.00000 | my,-mx,0 | -1.85000 | -1.85000 | 0.00000 |
20 | 0.67085 | 0.57915 | 0.00000 | -my,mx,0 | 1.85000 | 1.85000 | 0.00000 |
21 | 0.32915 | 0.57915 | 0.50000 | -my,-mx,0 | 1.85000 | -1.85000 | 0.00000 |
22 | 0.07915 | 0.17085 | 0.50000 | mx,-my,0 | 1.85000 | 1.85000 | 0.00000 |
23 | 0.92085 | 0.82915 | 0.50000 | -mx,my,0 | -1.85000 | -1.85000 | 0.00000 |
24 | 0.67085 | 0.42085 | 0.50000 | my,mx,0 | -1.85000 | 1.85000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
25 | 0.57915 | 0.32915 | 0.00000 | -mx,-my,0 | -1.85000 | 1.85000 | 0.00000 |
26 | 0.42085 | 0.67085 | 0.00000 | mx,my,0 | 1.85000 | -1.85000 | 0.00000 |
27 | 0.82915 | 0.92085 | 0.00000 | my,-mx,0 | -1.85000 | -1.85000 | 0.00000 |
28 | 0.17085 | 0.07915 | 0.00000 | -my,mx,0 | 1.85000 | 1.85000 | 0.00000 |
29 | 0.82915 | 0.07915 | 0.50000 | -my,-mx,0 | 1.85000 | -1.85000 | 0.00000 |
30 | 0.57915 | 0.67085 | 0.50000 | mx,-my,0 | 1.85000 | 1.85000 | 0.00000 |
31 | 0.42085 | 0.32915 | 0.50000 | -mx,my,0 | -1.85000 | -1.85000 | 0.00000 |
32 | 0.17085 | 0.92085 | 0.50000 | my,mx,0 | -1.85000 | 1.85000 | 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 | 0.00000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.00000 | 0.75000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.25000 |
4 | 0.50000 | 0.50000 | 0.75000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.25000 |
6 | 0.00000 | 0.50000 | 0.75000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.25000 |
8 | 0.50000 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_2:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.75000 |
2 | 0.75000 | 0.75000 | 0.25000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.75000 | 0.75000 | 0.75000 |
4 | 0.25000 | 0.25000 | 0.25000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.25000 | 0.75000 | 0.75000 |
6 | 0.75000 | 0.25000 | 0.25000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.75000 |
8 | 0.25000 | 0.75000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Zn1:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.25000 |
2 | 0.00000 | 0.75000 | 0.75000 |
3 | 0.25000 | 0.00000 | 0.25000 |
4 | 0.75000 | 0.00000 | 0.75000 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.50000 | 0.75000 | 0.25000 |
6 | 0.50000 | 0.25000 | 0.75000 |
7 | 0.75000 | 0.50000 | 0.25000 |
8 | 0.25000 | 0.50000 | 0.75000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.00000 | 0.75000 | 0.25000 |
10 | 0.00000 | 0.25000 | 0.75000 |
11 | 0.25000 | 0.50000 | 0.25000 |
12 | 0.75000 | 0.50000 | 0.75000 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.25000 | 0.25000 |
14 | 0.50000 | 0.75000 | 0.75000 |
15 | 0.75000 | 0.00000 | 0.25000 |
16 | 0.25000 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom S1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.00000 |
4 | 0.50000 | 0.50000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.00000 |
6 | 0.00000 | 0.50000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.00000 |
8 | 0.50000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom S1_2:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.50000 |
2 | 0.25000 | 0.25000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.75000 | 0.75000 | 0.50000 |
4 | 0.75000 | 0.75000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.25000 | 0.75000 | 0.50000 |
6 | 0.25000 | 0.75000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.50000 |
8 | 0.75000 | 0.25000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom S2:
Atom | x | y | z |
1 | 0.07500 | 0.32500 | 0.62500 |
2 | 0.92500 | 0.67500 | 0.37500 |
3 | 0.92500 | 0.67500 | 0.62500 |
4 | 0.32500 | 0.92500 | 0.62500 |
5 | 0.67500 | 0.07500 | 0.62500 |
6 | 0.67500 | 0.07500 | 0.37500 |
7 | 0.32500 | 0.92500 | 0.37500 |
8 | 0.07500 | 0.32500 | 0.37500 |
9 | 0.32500 | 0.07500 | 0.12500 |
10 | 0.07500 | 0.67500 | 0.87500 |
11 | 0.92500 | 0.32500 | 0.87500 |
12 | 0.67500 | 0.92500 | 0.12500 |
13 | 0.92500 | 0.32500 | 0.12500 |
14 | 0.07500 | 0.67500 | 0.12500 |
15 | 0.32500 | 0.07500 | 0.87500 |
16 | 0.67500 | 0.92500 | 0.87500 |
(1/2,1/2,0) + set click here to show and hide |
17 | 0.57500 | 0.82500 | 0.62500 |
18 | 0.42500 | 0.17500 | 0.37500 |
19 | 0.42500 | 0.17500 | 0.62500 |
20 | 0.82500 | 0.42500 | 0.62500 |
21 | 0.17500 | 0.57500 | 0.62500 |
22 | 0.17500 | 0.57500 | 0.37500 |
23 | 0.82500 | 0.42500 | 0.37500 |
24 | 0.57500 | 0.82500 | 0.37500 |
25 | 0.82500 | 0.57500 | 0.12500 |
26 | 0.57500 | 0.17500 | 0.87500 |
27 | 0.42500 | 0.82500 | 0.87500 |
28 | 0.17500 | 0.42500 | 0.12500 |
29 | 0.42500 | 0.82500 | 0.12500 |
30 | 0.57500 | 0.17500 | 0.12500 |
31 | 0.82500 | 0.57500 | 0.87500 |
32 | 0.17500 | 0.42500 | 0.87500 |
(0,1/2,0)' + set click here to show and hide |
33 | 0.07500 | 0.82500 | 0.62500 |
34 | 0.92500 | 0.17500 | 0.37500 |
35 | 0.92500 | 0.17500 | 0.62500 |
36 | 0.32500 | 0.42500 | 0.62500 |
37 | 0.67500 | 0.57500 | 0.62500 |
38 | 0.67500 | 0.57500 | 0.37500 |
39 | 0.32500 | 0.42500 | 0.37500 |
40 | 0.07500 | 0.82500 | 0.37500 |
41 | 0.32500 | 0.57500 | 0.12500 |
42 | 0.07500 | 0.17500 | 0.87500 |
43 | 0.92500 | 0.82500 | 0.87500 |
44 | 0.67500 | 0.42500 | 0.12500 |
45 | 0.92500 | 0.82500 | 0.12500 |
46 | 0.07500 | 0.17500 | 0.12500 |
47 | 0.32500 | 0.57500 | 0.87500 |
48 | 0.67500 | 0.42500 | 0.87500 |
(1/2,0,0)' + set click here to show and hide |
49 | 0.57500 | 0.32500 | 0.62500 |
50 | 0.42500 | 0.67500 | 0.37500 |
51 | 0.42500 | 0.67500 | 0.62500 |
52 | 0.82500 | 0.92500 | 0.62500 |
53 | 0.17500 | 0.07500 | 0.62500 |
54 | 0.17500 | 0.07500 | 0.37500 |
55 | 0.82500 | 0.92500 | 0.37500 |
56 | 0.57500 | 0.32500 | 0.37500 |
57 | 0.82500 | 0.07500 | 0.12500 |
58 | 0.57500 | 0.67500 | 0.87500 |
59 | 0.42500 | 0.32500 | 0.87500 |
60 | 0.17500 | 0.92500 | 0.12500 |
61 | 0.42500 | 0.32500 | 0.12500 |
62 | 0.57500 | 0.67500 | 0.12500 |
63 | 0.82500 | 0.07500 | 0.87500 |
64 | 0.17500 | 0.92500 | 0.87500 |
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