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 Mn1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.50000 | mx,mx,0 | -4.91000 | -4.91000 | 0.00000 |
2 | 0.00000 | 0.33333 | 0.50000 | -mx,0,0 | 4.91000 | 0.00000 | 0.00000 |
3 | 0.66667 | 0.00000 | 0.50000 | 0,-mx,0 | 0.00000 | 4.91000 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.50000 | mx,mx,0 | -4.91000 | -4.91000 | 0.00000 |
5 | 0.33333 | 0.00000 | 0.50000 | -mx,0,0 | 4.91000 | 0.00000 | 0.00000 |
6 | 0.00000 | 0.66667 | 0.50000 | 0,-mx,0 | 0.00000 | 4.91000 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.50000 | mx,mx,0 | -4.91000 | -4.91000 | 0.00000 |
8 | 0.66667 | 0.66667 | 0.50000 | -mx,0,0 | 4.91000 | 0.00000 | 0.00000 |
9 | 0.33333 | 0.33333 | 0.50000 | 0,-mx,0 | 0.00000 | 4.91000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Nb1_1:
Atom | x | y | z |
1 | 0.11111 | 0.22222 | 0.17620 |
2 | 0.77778 | 0.22222 | 0.17620 |
3 | 0.77778 | 0.88889 | 0.17620 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.44444 | 0.88889 | 0.17620 |
5 | 0.11111 | 0.88889 | 0.17620 |
6 | 0.11111 | 0.55556 | 0.17620 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.77778 | 0.55555 | 0.17620 |
8 | 0.44445 | 0.55556 | 0.17620 |
9 | 0.44444 | 0.22222 | 0.17620 |
Set of atoms in the unit cell related by symmetry with the atom Nb1_2:
Atom | x | y | z |
1 | 0.22222 | 0.11111 | 0.82380 |
2 | 0.88889 | 0.77778 | 0.82380 |
(1/3,2/3,0) + set click here to show and hide |
3 | 0.55555 | 0.77778 | 0.82380 |
4 | 0.22222 | 0.44445 | 0.82380 |
(2/3,1/3,0) + set click here to show and hide |
5 | 0.88889 | 0.44444 | 0.82380 |
6 | 0.55556 | 0.11111 | 0.82380 |
Set of atoms in the unit cell related by symmetry with the atom Nb1_3:
Atom | x | y | z |
1 | 0.22222 | 0.77778 | 0.82380 |
(1/3,2/3,0) + set click here to show and hide |
2 | 0.55555 | 0.44445 | 0.82380 |
(2/3,1/3,0) + set click here to show and hide |
3 | 0.88889 | 0.11111 | 0.82380 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_1:
Atom | x | y | z |
1 | 0.11111 | 0.22222 | 0.66170 |
2 | 0.77778 | 0.22222 | 0.66170 |
3 | 0.77778 | 0.88889 | 0.66170 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.44444 | 0.88889 | 0.66170 |
5 | 0.11111 | 0.88889 | 0.66170 |
6 | 0.11111 | 0.55556 | 0.66170 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.77778 | 0.55555 | 0.66170 |
8 | 0.44445 | 0.55556 | 0.66170 |
9 | 0.44444 | 0.22222 | 0.66170 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_2:
Atom | x | y | z |
1 | 0.22222 | 0.11111 | 0.33830 |
2 | 0.88889 | 0.77778 | 0.33830 |
(1/3,2/3,0) + set click here to show and hide |
3 | 0.55555 | 0.77778 | 0.33830 |
4 | 0.22222 | 0.44445 | 0.33830 |
(2/3,1/3,0) + set click here to show and hide |
5 | 0.88889 | 0.44444 | 0.33830 |
6 | 0.55556 | 0.11111 | 0.33830 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_3:
Atom | x | y | z |
1 | 0.22222 | 0.77778 | 0.33830 |
(1/3,2/3,0) + set click here to show and hide |
2 | 0.55555 | 0.44445 | 0.33830 |
(2/3,1/3,0) + set click here to show and hide |
3 | 0.88889 | 0.11111 | 0.33830 |
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 | 0.00000 | 0.33333 | 0.00000 |
3 | 0.66667 | 0.00000 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.33333 | 0.66667 | 0.00000 |
5 | 0.33333 | 0.00000 | 0.00000 |
6 | 0.00000 | 0.66667 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.66667 | 0.33333 | 0.00000 |
8 | 0.66667 | 0.66667 | 0.00000 |
9 | 0.33333 | 0.33333 | 0.00000 |
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 | 0.00000 | 0.50000 | 0.00000 |
3 | 0.50000 | 0.83333 | 0.00000 |
4 | 0.00000 | 0.83333 | 0.00000 |
5 | 0.16667 | 0.50000 | 0.00000 |
6 | 0.50000 | 0.00000 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.50000 | 0.66667 | 0.00000 |
8 | 0.33333 | 0.16667 | 0.00000 |
9 | 0.83333 | 0.50000 | 0.00000 |
10 | 0.33333 | 0.50000 | 0.00000 |
11 | 0.50000 | 0.16667 | 0.00000 |
12 | 0.83333 | 0.66667 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.83334 | 0.33333 | 0.00000 |
14 | 0.66667 | 0.83334 | 0.00000 |
15 | 0.16666 | 0.16666 | 0.00000 |
16 | 0.66667 | 0.16666 | 0.00000 |
17 | 0.83334 | 0.83334 | 0.00000 |
18 | 0.16666 | 0.33333 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.00000 | 0.16667 | 0.00000 |
2 | 0.83333 | 0.16666 | 0.00000 |
3 | 0.83334 | 0.00000 | 0.00000 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.33333 | 0.83334 | 0.00000 |
5 | 0.16666 | 0.83333 | 0.00000 |
6 | 0.16667 | 0.66667 | 0.00000 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.66667 | 0.50000 | 0.00000 |
8 | 0.50000 | 0.50000 | 0.00000 |
9 | 0.50000 | 0.33333 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.05753 | 0.94247 | 0.32290 |
2 | 0.05753 | 0.44839 | 0.32290 |
3 | 0.55161 | 0.94247 | 0.32290 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.39086 | 0.60914 | 0.32290 |
5 | 0.39086 | 0.11506 | 0.32290 |
6 | 0.88494 | 0.60914 | 0.32290 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.72420 | 0.27580 | 0.32290 |
8 | 0.72420 | 0.78173 | 0.32290 |
9 | 0.21827 | 0.27580 | 0.32290 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.05753 | 0.11507 | 0.32290 |
2 | 0.88493 | 0.27579 | 0.32290 |
3 | 0.72421 | 0.94247 | 0.32290 |
4 | 0.88493 | 0.94247 | 0.32290 |
5 | 0.05753 | 0.27579 | 0.32290 |
6 | 0.72421 | 0.11507 | 0.32290 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.39086 | 0.78174 | 0.32290 |
8 | 0.21826 | 0.94246 | 0.32290 |
9 | 0.05754 | 0.60914 | 0.32290 |
10 | 0.21826 | 0.60914 | 0.32290 |
11 | 0.39086 | 0.94246 | 0.32290 |
12 | 0.05754 | 0.78174 | 0.32290 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.72420 | 0.44840 | 0.32290 |
14 | 0.55160 | 0.60913 | 0.32290 |
15 | 0.39087 | 0.27580 | 0.32290 |
16 | 0.55160 | 0.27580 | 0.32290 |
17 | 0.72420 | 0.60913 | 0.32290 |
18 | 0.39087 | 0.44840 | 0.32290 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.94247 | 0.05753 | 0.67710 |
2 | 0.94247 | 0.21827 | 0.67710 |
3 | 0.78173 | 0.05753 | 0.67710 |
(1/3,2/3,0) + set click here to show and hide |
4 | 0.27580 | 0.72420 | 0.67710 |
5 | 0.27580 | 0.88494 | 0.67710 |
6 | 0.11506 | 0.72420 | 0.67710 |
(2/3,1/3,0) + set click here to show and hide |
7 | 0.60914 | 0.39086 | 0.67710 |
8 | 0.60914 | 0.55161 | 0.67710 |
9 | 0.44839 | 0.39086 | 0.67710 |
Set of atoms in the unit cell related by symmetry with the atom O2_4:
Atom | x | y | z |
1 | 0.11507 | 0.05753 | 0.67710 |
2 | 0.94247 | 0.39087 | 0.67710 |
3 | 0.60913 | 0.88493 | 0.67710 |
4 | 0.94247 | 0.88493 | 0.67710 |
5 | 0.11507 | 0.39087 | 0.67710 |
6 | 0.60913 | 0.05753 | 0.67710 |
(1/3,2/3,0) + set click here to show and hide |
7 | 0.44840 | 0.72420 | 0.67710 |
8 | 0.27580 | 0.05754 | 0.67710 |
9 | 0.94246 | 0.55160 | 0.67710 |
10 | 0.27580 | 0.55160 | 0.67710 |
11 | 0.44840 | 0.05754 | 0.67710 |
12 | 0.94246 | 0.72420 | 0.67710 |
(2/3,1/3,0) + set click here to show and hide |
13 | 0.78174 | 0.39086 | 0.67710 |
14 | 0.60914 | 0.72421 | 0.67710 |
15 | 0.27579 | 0.21826 | 0.67710 |
16 | 0.60914 | 0.21826 | 0.67710 |
17 | 0.78174 | 0.72421 | 0.67710 |
18 | 0.27579 | 0.39086 | 0.67710 |
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