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 Sm1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.50000 | 0.50000 | mx,mx,mx | 0.25500 | 0.25500 | 0.25550 |
2 | 0.50000 | 0.75000 | 0.75000 | mx,-mx,-mx | 0.25500 | -0.25500 | -0.25550 |
3 | 0.75000 | 0.50000 | 0.75000 | -mx,mx,-mx | -0.25500 | 0.25500 | -0.25550 |
4 | 0.75000 | 0.75000 | 0.50000 | -mx,-mx,mx | -0.25500 | -0.25500 | 0.25550 |
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5 | 0.50000 | 0.00000 | 0.00000 | mx,mx,mx | 0.25500 | 0.25500 | 0.25550 |
6 | 0.50000 | 0.25000 | 0.25000 | mx,-mx,-mx | 0.25500 | -0.25500 | -0.25550 |
7 | 0.75000 | 0.00000 | 0.25000 | -mx,mx,-mx | -0.25500 | 0.25500 | -0.25550 |
8 | 0.75000 | 0.25000 | 0.00000 | -mx,-mx,mx | -0.25500 | -0.25500 | 0.25550 |
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9 | 0.00000 | 0.50000 | 0.00000 | mx,mx,mx | 0.25500 | 0.25500 | 0.25550 |
10 | 0.00000 | 0.75000 | 0.25000 | mx,-mx,-mx | 0.25500 | -0.25500 | -0.25550 |
11 | 0.25000 | 0.50000 | 0.25000 | -mx,mx,-mx | -0.25500 | 0.25500 | -0.25550 |
12 | 0.25000 | 0.75000 | 0.00000 | -mx,-mx,mx | -0.25500 | -0.25500 | 0.25550 |
(1/2,1/2,0) + set click here to show and hide |
13 | 0.00000 | 0.00000 | 0.50000 | mx,mx,mx | 0.25500 | 0.25500 | 0.25550 |
14 | 0.00000 | 0.25000 | 0.75000 | mx,-mx,-mx | 0.25500 | -0.25500 | -0.25550 |
15 | 0.25000 | 0.00000 | 0.75000 | -mx,mx,-mx | -0.25500 | 0.25500 | -0.25550 |
16 | 0.25000 | 0.25000 | 0.50000 | -mx,-mx,mx | -0.25500 | -0.25500 | 0.25550 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ti1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.25000 | 0.25000 |
3 | 0.25000 | 0.00000 | 0.25000 |
4 | 0.25000 | 0.25000 | 0.00000 |
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5 | 0.00000 | 0.50000 | 0.50000 |
6 | 0.00000 | 0.75000 | 0.75000 |
7 | 0.25000 | 0.50000 | 0.75000 |
8 | 0.25000 | 0.75000 | 0.50000 |
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9 | 0.50000 | 0.00000 | 0.50000 |
10 | 0.50000 | 0.25000 | 0.75000 |
11 | 0.75000 | 0.00000 | 0.75000 |
12 | 0.75000 | 0.25000 | 0.50000 |
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13 | 0.50000 | 0.50000 | 0.00000 |
14 | 0.50000 | 0.75000 | 0.25000 |
15 | 0.75000 | 0.50000 | 0.25000 |
16 | 0.75000 | 0.75000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.32700 | 0.12500 | 0.12500 |
2 | 0.92300 | 0.12500 | 0.12500 |
3 | 0.12500 | 0.32700 | 0.12500 |
4 | 0.12500 | 0.12500 | 0.32700 |
5 | 0.12500 | 0.12500 | 0.92300 |
6 | 0.12500 | 0.92300 | 0.12500 |
7 | 0.67300 | 0.87500 | 0.87500 |
8 | 0.57700 | 0.87500 | 0.37500 |
9 | 0.87500 | 0.67300 | 0.87500 |
10 | 0.87500 | 0.87500 | 0.67300 |
11 | 0.37500 | 0.87500 | 0.57700 |
12 | 0.37500 | 0.57700 | 0.87500 |
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13 | 0.32700 | 0.62500 | 0.62500 |
14 | 0.92300 | 0.62500 | 0.62500 |
15 | 0.12500 | 0.82700 | 0.62500 |
16 | 0.12500 | 0.62500 | 0.82700 |
17 | 0.12500 | 0.62500 | 0.42300 |
18 | 0.12500 | 0.42300 | 0.62500 |
19 | 0.67300 | 0.37500 | 0.37500 |
20 | 0.57700 | 0.37500 | 0.87500 |
21 | 0.87500 | 0.17300 | 0.37500 |
22 | 0.87500 | 0.37500 | 0.17300 |
23 | 0.37500 | 0.37500 | 0.07700 |
24 | 0.37500 | 0.07700 | 0.37500 |
(1/2,0,1/2) + set click here to show and hide |
25 | 0.82700 | 0.12500 | 0.62500 |
26 | 0.42300 | 0.12500 | 0.62500 |
27 | 0.62500 | 0.32700 | 0.62500 |
28 | 0.62500 | 0.12500 | 0.82700 |
29 | 0.62500 | 0.12500 | 0.42300 |
30 | 0.62500 | 0.92300 | 0.62500 |
31 | 0.17300 | 0.87500 | 0.37500 |
32 | 0.07700 | 0.87500 | 0.87500 |
33 | 0.37500 | 0.67300 | 0.37500 |
34 | 0.37500 | 0.87500 | 0.17300 |
35 | 0.87500 | 0.87500 | 0.07700 |
36 | 0.87500 | 0.57700 | 0.37500 |
(1/2,1/2,0) + set click here to show and hide |
37 | 0.82700 | 0.62500 | 0.12500 |
38 | 0.42300 | 0.62500 | 0.12500 |
39 | 0.62500 | 0.82700 | 0.12500 |
40 | 0.62500 | 0.62500 | 0.32700 |
41 | 0.62500 | 0.62500 | 0.92300 |
42 | 0.62500 | 0.42300 | 0.12500 |
43 | 0.17300 | 0.37500 | 0.87500 |
44 | 0.07700 | 0.37500 | 0.37500 |
45 | 0.37500 | 0.17300 | 0.87500 |
46 | 0.37500 | 0.37500 | 0.67300 |
47 | 0.87500 | 0.37500 | 0.57700 |
48 | 0.87500 | 0.07700 | 0.87500 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.37500 | 0.37500 | 0.37500 |
2 | 0.62500 | 0.62500 | 0.62500 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.37500 | 0.87500 | 0.87500 |
4 | 0.62500 | 0.12500 | 0.12500 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.87500 | 0.37500 | 0.87500 |
6 | 0.12500 | 0.62500 | 0.12500 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.87500 | 0.87500 | 0.37500 |
8 | 0.12500 | 0.12500 | 0.62500 |
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