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_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.08710 | 0.33710 | 0.25000 | mx,my,mz | -1.15000 | -2.08000 | 0.77000 |
2 | 0.91290 | 0.66290 | 0.75000 | mx,my,mz | -1.15000 | -2.08000 | 0.77000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.08710 | 0.83710 | 0.75000 | mx,my,mz | -1.15000 | -2.08000 | 0.77000 |
4 | 0.91290 | 0.16290 | 0.25000 | mx,my,mz | -1.15000 | -2.08000 | 0.77000 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.58710 | 0.33710 | 0.75000 | mx,my,mz | -1.15000 | -2.08000 | 0.77000 |
6 | 0.41290 | 0.66290 | 0.25000 | mx,my,mz | -1.15000 | -2.08000 | 0.77000 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.58710 | 0.83710 | 0.25000 | mx,my,mz | -1.15000 | -2.08000 | 0.77000 |
8 | 0.41290 | 0.16290 | 0.75000 | mx,my,mz | -1.15000 | -2.08000 | 0.77000 |
(1/2,1/2,1/2)' + set click here to show and hide |
9 | 0.58710 | 0.83710 | 0.75000 | -mx,-my,-mz | 1.15000 | 2.08000 | -0.77000 |
10 | 0.41290 | 0.16290 | 0.25000 | -mx,-my,-mz | 1.15000 | 2.08000 | -0.77000 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.58710 | 0.33710 | 0.25000 | -mx,-my,-mz | 1.15000 | 2.08000 | -0.77000 |
12 | 0.41290 | 0.66290 | 0.75000 | -mx,-my,-mz | 1.15000 | 2.08000 | -0.77000 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.08710 | 0.83710 | 0.25000 | -mx,-my,-mz | 1.15000 | 2.08000 | -0.77000 |
14 | 0.91290 | 0.16290 | 0.75000 | -mx,-my,-mz | 1.15000 | 2.08000 | -0.77000 |
(0,0,1/2)' + set click here to show and hide |
15 | 0.08710 | 0.33710 | 0.75000 | -mx,-my,-mz | 1.15000 | 2.08000 | -0.77000 |
16 | 0.91290 | 0.66290 | 0.25000 | -mx,-my,-mz | 1.15000 | 2.08000 | -0.77000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.16290 | 0.08710 | 0.25000 | mx,my,mz | -2.36000 | 0.29000 | 0.77000 |
2 | 0.83710 | 0.91290 | 0.75000 | mx,my,mz | -2.36000 | 0.29000 | 0.77000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.16290 | 0.58710 | 0.75000 | mx,my,mz | -2.36000 | 0.29000 | 0.77000 |
4 | 0.83710 | 0.41290 | 0.25000 | mx,my,mz | -2.36000 | 0.29000 | 0.77000 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.66290 | 0.08710 | 0.75000 | mx,my,mz | -2.36000 | 0.29000 | 0.77000 |
6 | 0.33710 | 0.91290 | 0.25000 | mx,my,mz | -2.36000 | 0.29000 | 0.77000 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.66290 | 0.58710 | 0.25000 | mx,my,mz | -2.36000 | 0.29000 | 0.77000 |
8 | 0.33710 | 0.41290 | 0.75000 | mx,my,mz | -2.36000 | 0.29000 | 0.77000 |
(1/2,1/2,1/2)' + set click here to show and hide |
9 | 0.66290 | 0.58710 | 0.75000 | -mx,-my,-mz | 2.36000 | -0.29000 | -0.77000 |
10 | 0.33710 | 0.41290 | 0.25000 | -mx,-my,-mz | 2.36000 | -0.29000 | -0.77000 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.66290 | 0.08710 | 0.25000 | -mx,-my,-mz | 2.36000 | -0.29000 | -0.77000 |
12 | 0.33710 | 0.91290 | 0.75000 | -mx,-my,-mz | 2.36000 | -0.29000 | -0.77000 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.16290 | 0.58710 | 0.25000 | -mx,-my,-mz | 2.36000 | -0.29000 | -0.77000 |
14 | 0.83710 | 0.41290 | 0.75000 | -mx,-my,-mz | 2.36000 | -0.29000 | -0.77000 |
(0,0,1/2)' + set click here to show and hide |
15 | 0.16290 | 0.08710 | 0.75000 | -mx,-my,-mz | 2.36000 | -0.29000 | -0.77000 |
16 | 0.83710 | 0.91290 | 0.25000 | -mx,-my,-mz | 2.36000 | -0.29000 | -0.77000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Pt1_1:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.75000 | 0.50000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.25000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.75000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
5 | 0.50000 | 0.75000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
6 | 0.50000 | 0.25000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.00000 | 0.75000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
8 | 0.00000 | 0.25000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Pt1_2:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.25000 | 0.50000 | 0.50000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.75000 | 0.00000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.75000 | 0.50000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
5 | 0.75000 | 0.50000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
6 | 0.75000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.25000 | 0.50000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
8 | 0.25000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.50000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
6 | 0.50000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.00000 | 0.50000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
8 | 0.00000 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_2:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.25000 | 0.75000 | 0.50000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.75000 | 0.25000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.75000 | 0.75000 | 0.00000 |
(1/2,1/2,1/2)' + set click here to show and hide |
5 | 0.75000 | 0.75000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
6 | 0.75000 | 0.25000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.25000 | 0.75000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
8 | 0.25000 | 0.25000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.32220 | 0.57220 | 0.12550 |
2 | 0.67780 | 0.42780 | 0.87450 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.32220 | 0.07220 | 0.62550 |
4 | 0.67780 | 0.92780 | 0.37450 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.82220 | 0.57220 | 0.62550 |
6 | 0.17780 | 0.42780 | 0.37450 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.82220 | 0.07220 | 0.12550 |
8 | 0.17780 | 0.92780 | 0.87450 |
(1/2,1/2,1/2)' + set click here to show and hide |
9 | 0.82220 | 0.07220 | 0.62550 |
10 | 0.17780 | 0.92780 | 0.37450 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.82220 | 0.57220 | 0.12550 |
12 | 0.17780 | 0.42780 | 0.87450 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.32220 | 0.07220 | 0.12550 |
14 | 0.67780 | 0.92780 | 0.87450 |
(0,0,1/2)' + set click here to show and hide |
15 | 0.32220 | 0.57220 | 0.62550 |
16 | 0.67780 | 0.42780 | 0.37450 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.67780 | 0.92780 | 0.12550 |
2 | 0.32220 | 0.07220 | 0.87450 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.67780 | 0.42780 | 0.62550 |
4 | 0.32220 | 0.57220 | 0.37450 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.17780 | 0.92780 | 0.62550 |
6 | 0.82220 | 0.07220 | 0.37450 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.17780 | 0.42780 | 0.12550 |
8 | 0.82220 | 0.57220 | 0.87450 |
(1/2,1/2,1/2)' + set click here to show and hide |
9 | 0.17780 | 0.42780 | 0.62550 |
10 | 0.82220 | 0.57220 | 0.37450 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.17780 | 0.92780 | 0.12550 |
12 | 0.82220 | 0.07220 | 0.87450 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.67780 | 0.42780 | 0.12550 |
14 | 0.32220 | 0.57220 | 0.87450 |
(0,0,1/2)' + set click here to show and hide |
15 | 0.67780 | 0.92780 | 0.62550 |
16 | 0.32220 | 0.07220 | 0.37450 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.92780 | 0.32220 | 0.12550 |
2 | 0.07220 | 0.67780 | 0.87450 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.92780 | 0.82220 | 0.62550 |
4 | 0.07220 | 0.17780 | 0.37450 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.42780 | 0.32220 | 0.62550 |
6 | 0.57220 | 0.67780 | 0.37450 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.42780 | 0.82220 | 0.12550 |
8 | 0.57220 | 0.17780 | 0.87450 |
(1/2,1/2,1/2)' + set click here to show and hide |
9 | 0.42780 | 0.82220 | 0.62550 |
10 | 0.57220 | 0.17780 | 0.37450 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.42780 | 0.32220 | 0.12550 |
12 | 0.57220 | 0.67780 | 0.87450 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.92780 | 0.82220 | 0.12550 |
14 | 0.07220 | 0.17780 | 0.87450 |
(0,0,1/2)' + set click here to show and hide |
15 | 0.92780 | 0.32220 | 0.62550 |
16 | 0.07220 | 0.67780 | 0.37450 |
Set of atoms in the unit cell related by symmetry with the atom O1_4:
Atom | x | y | z |
1 | 0.57220 | 0.67780 | 0.12550 |
2 | 0.42780 | 0.32220 | 0.87450 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.57220 | 0.17780 | 0.62550 |
4 | 0.42780 | 0.82220 | 0.37450 |
(1/2,0,1/2) + set click here to show and hide |
5 | 0.07220 | 0.67780 | 0.62550 |
6 | 0.92780 | 0.32220 | 0.37450 |
(1/2,1/2,0) + set click here to show and hide |
7 | 0.07220 | 0.17780 | 0.12550 |
8 | 0.92780 | 0.82220 | 0.87450 |
(1/2,1/2,1/2)' + set click here to show and hide |
9 | 0.07220 | 0.17780 | 0.62550 |
10 | 0.92780 | 0.82220 | 0.37450 |
(1/2,0,0)' + set click here to show and hide |
11 | 0.07220 | 0.67780 | 0.12550 |
12 | 0.92780 | 0.32220 | 0.87450 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.57220 | 0.17780 | 0.12550 |
14 | 0.42780 | 0.82220 | 0.87450 |
(0,0,1/2)' + set click here to show and hide |
15 | 0.57220 | 0.67780 | 0.62550 |
16 | 0.42780 | 0.32220 | 0.37450 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.75000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.75000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.25000 |
(1/2,1/2,1/2)' + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.75000 |
(1/2,0,0)' + set click here to show and hide |
6 | 0.50000 | 0.00000 | 0.25000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.00000 | 0.50000 | 0.25000 |
(0,0,1/2)' + set click here to show and hide |
8 | 0.00000 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.25000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.25000 | 0.75000 | 0.75000 |
(1/2,0,1/2) + set click here to show and hide |
3 | 0.75000 | 0.25000 | 0.75000 |
(1/2,1/2,0) + set click here to show and hide |
4 | 0.75000 | 0.75000 | 0.25000 |
(1/2,1/2,1/2)' + set click here to show and hide |
5 | 0.75000 | 0.75000 | 0.75000 |
(1/2,0,0)' + set click here to show and hide |
6 | 0.75000 | 0.25000 | 0.25000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.25000 | 0.75000 | 0.25000 |
(0,0,1/2)' + set click here to show and hide |
8 | 0.25000 | 0.25000 | 0.75000 |
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