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 | 0.40640 | mx,2mx,mz | 0.00000 | 0.00000 | 1.88000 |
2 | 0.66667 | 0.16667 | 0.92693 | -mx,-2mx,-mz | 0.00000 | 0.00000 | -1.88000 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.07307 | mx,2mx,mz | 0.00000 | 0.00000 | 1.88000 |
4 | 0.00000 | 0.50000 | 0.59360 | -mx,-2mx,-mz | 0.00000 | 0.00000 | -1.88000 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.73973 | mx,2mx,mz | 0.00000 | 0.00000 | 1.88000 |
6 | 0.33333 | 0.83333 | 0.26027 | -mx,-2mx,-mz | 0.00000 | 0.00000 | -1.88000 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.66667 | 0.16667 | 0.73973 | -mx,-2mx,-mz | 0.00000 | 0.00000 | -1.88000 |
8 | 0.33333 | 0.33333 | 0.26027 | mx,2mx,mz | 0.00000 | 0.00000 | 1.88000 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.00000 | 0.50000 | 0.40640 | -mx,-2mx,-mz | 0.00000 | 0.00000 | -1.88000 |
10 | 0.66667 | 0.66667 | 0.92693 | mx,2mx,mz | 0.00000 | 0.00000 | 1.88000 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.33333 | 0.83333 | 0.07307 | -mx,-2mx,-mz | 0.00000 | 0.00000 | -1.88000 |
12 | 0.00000 | 0.00000 | 0.59360 | mx,2mx,mz | 0.00000 | 0.00000 | 1.88000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.12570 |
2 | 0.66667 | 0.16667 | 0.20763 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.79237 |
4 | 0.00000 | 0.50000 | 0.87430 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.45903 |
6 | 0.33333 | 0.83333 | 0.54097 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.66667 | 0.16667 | 0.45903 |
8 | 0.33333 | 0.33333 | 0.54097 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.00000 | 0.50000 | 0.12570 |
10 | 0.66667 | 0.66667 | 0.20763 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.33333 | 0.83333 | 0.79237 |
12 | 0.00000 | 0.00000 | 0.87430 |
Set of atoms in the unit cell related by symmetry with the atom Ba2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.28400 |
2 | 0.66667 | 0.16667 | 0.04933 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.95067 |
4 | 0.00000 | 0.50000 | 0.71600 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.61733 |
6 | 0.33333 | 0.83333 | 0.38267 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.66667 | 0.16667 | 0.61733 |
8 | 0.33333 | 0.33333 | 0.38267 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.00000 | 0.50000 | 0.28400 |
10 | 0.66667 | 0.66667 | 0.04933 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.33333 | 0.83333 | 0.95067 |
12 | 0.00000 | 0.00000 | 0.71600 |
Set of atoms in the unit cell related by symmetry with the atom Te1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(1/3,1/3,2/3) + set click here to show and hide |
2 | 0.33333 | 0.33333 | 0.66667 |
(2/3,2/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.66667 | 0.33333 |
(2/3,1/6,1/3)' + set click here to show and hide |
4 | 0.66667 | 0.16667 | 0.33333 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.00000 |
(1/3,5/6,2/3)' + set click here to show and hide |
6 | 0.33333 | 0.83333 | 0.66667 |
Set of atoms in the unit cell related by symmetry with the atom Te2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.50000 |
(1/3,1/3,2/3) + set click here to show and hide |
2 | 0.33333 | 0.33333 | 0.16667 |
(2/3,2/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.66667 | 0.83333 |
(2/3,1/6,1/3)' + set click here to show and hide |
4 | 0.66667 | 0.16667 | 0.83333 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.50000 |
(1/3,5/6,2/3)' + set click here to show and hide |
6 | 0.33333 | 0.83333 | 0.16667 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.15080 | 0.42460 | 0.45890 |
2 | 0.96827 | 0.74207 | 0.87443 |
3 | 0.84920 | 0.57540 | 0.54110 |
4 | 0.36507 | 0.59127 | 0.79223 |
(1/3,1/3,2/3) + set click here to show and hide |
5 | 0.48413 | 0.75793 | 0.12557 |
6 | 0.30160 | 0.07540 | 0.54110 |
7 | 0.18253 | 0.90873 | 0.20777 |
8 | 0.69840 | 0.92460 | 0.45890 |
(2/3,2/3,1/3) + set click here to show and hide |
9 | 0.81747 | 0.09127 | 0.79223 |
10 | 0.63493 | 0.40873 | 0.20777 |
11 | 0.51587 | 0.24207 | 0.87443 |
12 | 0.03173 | 0.25793 | 0.12557 |
(2/3,1/6,1/3)' + set click here to show and hide |
13 | 0.81747 | 0.59127 | 0.79223 |
14 | 0.63493 | 0.90873 | 0.20777 |
15 | 0.51587 | 0.74207 | 0.87443 |
16 | 0.03173 | 0.75793 | 0.12557 |
(0,1/2,0)' + set click here to show and hide |
17 | 0.15080 | 0.92460 | 0.45890 |
18 | 0.96827 | 0.24207 | 0.87443 |
19 | 0.84920 | 0.07540 | 0.54110 |
20 | 0.36507 | 0.09127 | 0.79223 |
(1/3,5/6,2/3)' + set click here to show and hide |
21 | 0.48413 | 0.25793 | 0.12557 |
22 | 0.30160 | 0.57540 | 0.54110 |
23 | 0.18253 | 0.40873 | 0.20777 |
24 | 0.69840 | 0.42460 | 0.45890 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.15080 | 0.15080 | 0.45890 |
2 | 0.51587 | 0.01587 | 0.87443 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.48413 | 0.48413 | 0.12557 |
4 | 0.84920 | 0.34920 | 0.54110 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.81747 | 0.81747 | 0.79223 |
6 | 0.18253 | 0.68253 | 0.20777 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.81747 | 0.31747 | 0.79223 |
8 | 0.18253 | 0.18253 | 0.20777 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.15080 | 0.65080 | 0.45890 |
10 | 0.51587 | 0.51587 | 0.87443 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.48413 | 0.98413 | 0.12557 |
12 | 0.84920 | 0.84920 | 0.54110 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.17710 | 0.41145 | 0.62770 |
2 | 0.02087 | 0.75522 | 0.70563 |
3 | 0.82290 | 0.58855 | 0.37230 |
4 | 0.31247 | 0.57812 | 0.96103 |
(1/3,1/3,2/3) + set click here to show and hide |
5 | 0.51043 | 0.74478 | 0.29437 |
6 | 0.35420 | 0.08855 | 0.37230 |
7 | 0.15623 | 0.92188 | 0.03897 |
8 | 0.64580 | 0.91145 | 0.62770 |
(2/3,2/3,1/3) + set click here to show and hide |
9 | 0.84377 | 0.07812 | 0.96103 |
10 | 0.68753 | 0.42188 | 0.03897 |
11 | 0.48957 | 0.25522 | 0.70563 |
12 | 0.97913 | 0.24478 | 0.29437 |
(2/3,1/6,1/3)' + set click here to show and hide |
13 | 0.84377 | 0.57812 | 0.96103 |
14 | 0.68753 | 0.92188 | 0.03897 |
15 | 0.48957 | 0.75522 | 0.70563 |
16 | 0.97913 | 0.74478 | 0.29437 |
(0,1/2,0)' + set click here to show and hide |
17 | 0.17710 | 0.91145 | 0.62770 |
18 | 0.02087 | 0.25522 | 0.70563 |
19 | 0.82290 | 0.08855 | 0.37230 |
20 | 0.31247 | 0.07812 | 0.96103 |
(1/3,5/6,2/3)' + set click here to show and hide |
21 | 0.51043 | 0.24478 | 0.29437 |
22 | 0.35420 | 0.58855 | 0.37230 |
23 | 0.15623 | 0.42188 | 0.03897 |
24 | 0.64580 | 0.41145 | 0.62770 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.17710 | 0.17710 | 0.62770 |
2 | 0.48957 | 0.98957 | 0.70563 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.51043 | 0.51043 | 0.29437 |
4 | 0.82290 | 0.32290 | 0.37230 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.84377 | 0.84377 | 0.96103 |
6 | 0.15623 | 0.65623 | 0.03897 |
(2/3,1/6,1/3)' + set click here to show and hide |
7 | 0.84377 | 0.34377 | 0.96103 |
8 | 0.15623 | 0.15623 | 0.03897 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.17710 | 0.67710 | 0.62770 |
10 | 0.48957 | 0.48957 | 0.70563 |
(1/3,5/6,2/3)' + set click here to show and hide |
11 | 0.51043 | 0.01043 | 0.29437 |
12 | 0.82290 | 0.82290 | 0.37230 |
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