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 | 0.50000 | 0.00000 | 0.00000 | mx,my,mz | 0.85000 | 1.51000 | -0.25000 |
2 | 0.00000 | 0.50000 | 0.00000 | -my,mx-my,mz | -1.51000 | -0.66000 | -0.25000 |
3 | 0.50000 | 0.50000 | 0.00000 | -mx+my,-mx,mz | 0.66000 | -0.85000 | -0.25000 |
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4 | 0.83333 | 0.66667 | 0.66667 | mx,my,mz | 0.85000 | 1.51000 | -0.25000 |
5 | 0.33333 | 0.16667 | 0.66667 | -my,mx-my,mz | -1.51000 | -0.66000 | -0.25000 |
6 | 0.83333 | 0.16667 | 0.66667 | -mx+my,-mx,mz | 0.66000 | -0.85000 | -0.25000 |
(2/3,1/3,1/3) + set click here to show and hide |
7 | 0.16667 | 0.33333 | 0.33333 | mx,my,mz | 0.85000 | 1.51000 | -0.25000 |
8 | 0.66667 | 0.83333 | 0.33333 | -my,mx-my,mz | -1.51000 | -0.66000 | -0.25000 |
9 | 0.16667 | 0.83333 | 0.33333 | -mx+my,-mx,mz | 0.66000 | -0.85000 | -0.25000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Ni2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | 0,0,mz | 0.00000 | 0.00000 | 1.33000 |
(1/3,2/3,2/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.66667 | 0,0,mz | 0.00000 | 0.00000 | 1.33000 |
(2/3,1/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.33333 | 0,0,mz | 0.00000 | 0.00000 | 1.33000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom N1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.33438 |
2 | 0.00000 | 0.00000 | 0.66562 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.00105 |
4 | 0.33333 | 0.66667 | 0.33229 |
(2/3,1/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.66771 |
6 | 0.66667 | 0.33333 | 0.99895 |
Set of atoms in the unit cell related by symmetry with the atom N2:
Atom | x | y | z |
1 | 0.23127 | 0.27504 | 0.11656 |
2 | 0.72496 | 0.95623 | 0.11656 |
3 | 0.04377 | 0.76873 | 0.11656 |
4 | 0.76873 | 0.72496 | 0.88344 |
5 | 0.27504 | 0.04377 | 0.88344 |
6 | 0.95623 | 0.23127 | 0.88344 |
(1/3,2/3,2/3) + set click here to show and hide |
7 | 0.56460 | 0.94171 | 0.78323 |
8 | 0.05829 | 0.62290 | 0.78323 |
9 | 0.37710 | 0.43540 | 0.78323 |
10 | 0.10206 | 0.39163 | 0.55011 |
11 | 0.60837 | 0.71044 | 0.55011 |
12 | 0.28956 | 0.89794 | 0.55011 |
(2/3,1/3,1/3) + set click here to show and hide |
13 | 0.89794 | 0.60837 | 0.44989 |
14 | 0.39163 | 0.28956 | 0.44989 |
15 | 0.71044 | 0.10206 | 0.44989 |
16 | 0.43540 | 0.05829 | 0.21677 |
17 | 0.94171 | 0.37710 | 0.21677 |
18 | 0.62290 | 0.56460 | 0.21677 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.32590 | 0.54199 | 0.00114 |
2 | 0.45801 | 0.78391 | 0.00114 |
3 | 0.21609 | 0.67410 | 0.00114 |
4 | 0.67410 | 0.45801 | 0.99886 |
5 | 0.54199 | 0.21609 | 0.99886 |
6 | 0.78391 | 0.32590 | 0.99886 |
(1/3,2/3,2/3) + set click here to show and hide |
7 | 0.65923 | 0.20866 | 0.66781 |
8 | 0.79134 | 0.45058 | 0.66781 |
9 | 0.54942 | 0.34077 | 0.66781 |
10 | 0.00743 | 0.12468 | 0.66553 |
11 | 0.87532 | 0.88276 | 0.66553 |
12 | 0.11724 | 0.99257 | 0.66553 |
(2/3,1/3,1/3) + set click here to show and hide |
13 | 0.99257 | 0.87532 | 0.33447 |
14 | 0.12468 | 0.11724 | 0.33447 |
15 | 0.88276 | 0.00743 | 0.33447 |
16 | 0.34077 | 0.79134 | 0.33219 |
17 | 0.20866 | 0.54942 | 0.33219 |
18 | 0.45058 | 0.65923 | 0.33219 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.27215 | 0.36713 | 0.19133 |
2 | 0.63287 | 0.90502 | 0.19133 |
3 | 0.09498 | 0.72785 | 0.19133 |
4 | 0.72785 | 0.63287 | 0.80867 |
5 | 0.36713 | 0.09498 | 0.80867 |
6 | 0.90502 | 0.27215 | 0.80867 |
(1/3,2/3,2/3) + set click here to show and hide |
7 | 0.60548 | 0.03380 | 0.85800 |
8 | 0.96620 | 0.57169 | 0.85800 |
9 | 0.42831 | 0.39452 | 0.85800 |
10 | 0.06118 | 0.29954 | 0.47534 |
11 | 0.70046 | 0.76165 | 0.47534 |
12 | 0.23835 | 0.93882 | 0.47534 |
(2/3,1/3,1/3) + set click here to show and hide |
13 | 0.93882 | 0.70046 | 0.52466 |
14 | 0.29954 | 0.23835 | 0.52466 |
15 | 0.76165 | 0.06118 | 0.52466 |
16 | 0.39452 | 0.96620 | 0.14200 |
17 | 0.03380 | 0.42831 | 0.14200 |
18 | 0.57169 | 0.60548 | 0.14200 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.09997 | 0.16768 | 0.11332 |
2 | 0.83232 | 0.93229 | 0.11332 |
3 | 0.06771 | 0.90003 | 0.11332 |
4 | 0.90003 | 0.83232 | 0.88668 |
5 | 0.16768 | 0.06771 | 0.88668 |
6 | 0.93229 | 0.09997 | 0.88668 |
(1/3,2/3,2/3) + set click here to show and hide |
7 | 0.43330 | 0.83435 | 0.77999 |
8 | 0.16565 | 0.59896 | 0.77999 |
9 | 0.40104 | 0.56670 | 0.77999 |
10 | 0.23336 | 0.49899 | 0.55335 |
11 | 0.50101 | 0.73438 | 0.55335 |
12 | 0.26562 | 0.76664 | 0.55335 |
(2/3,1/3,1/3) + set click here to show and hide |
13 | 0.76664 | 0.50101 | 0.44665 |
14 | 0.49899 | 0.26562 | 0.44665 |
15 | 0.73438 | 0.23336 | 0.44665 |
16 | 0.56670 | 0.16565 | 0.22001 |
17 | 0.83435 | 0.40104 | 0.22001 |
18 | 0.59896 | 0.43330 | 0.22001 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.32302 | 0.29130 | 0.04577 |
2 | 0.70870 | 0.03172 | 0.04577 |
3 | 0.96828 | 0.67698 | 0.04577 |
4 | 0.67698 | 0.70870 | 0.95423 |
5 | 0.29130 | 0.96828 | 0.95423 |
6 | 0.03172 | 0.32302 | 0.95423 |
(1/3,2/3,2/3) + set click here to show and hide |
7 | 0.65635 | 0.95797 | 0.71244 |
8 | 0.04203 | 0.69839 | 0.71244 |
9 | 0.30161 | 0.34365 | 0.71244 |
10 | 0.01031 | 0.37537 | 0.62090 |
11 | 0.62463 | 0.63495 | 0.62090 |
12 | 0.36505 | 0.98969 | 0.62090 |
(2/3,1/3,1/3) + set click here to show and hide |
13 | 0.98969 | 0.62463 | 0.37910 |
14 | 0.37537 | 0.36505 | 0.37910 |
15 | 0.63495 | 0.01031 | 0.37910 |
16 | 0.34365 | 0.04203 | 0.28756 |
17 | 0.95797 | 0.30161 | 0.28756 |
18 | 0.69839 | 0.65635 | 0.28756 |
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