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 Fe1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.15988 | 0,my,0 | 0.00000 | 0.99000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.34012 | 0,my,0 | 0.00000 | 0.99000 | 0.00000 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.65988 | 0,my,0 | 0.00000 | 0.99000 | 0.00000 |
4 | 0.50000 | 0.50000 | 0.84012 | 0,my,0 | 0.00000 | 0.99000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.65988 | 0,-my,0 | 0.00000 | -0.99000 | 0.00000 |
6 | 0.00000 | 0.00000 | 0.84012 | 0,-my,0 | 0.00000 | -0.99000 | 0.00000 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.50000 | 0.50000 | 0.15988 | 0,-my,0 | 0.00000 | -0.99000 | 0.00000 |
8 | 0.50000 | 0.50000 | 0.34012 | 0,-my,0 | 0.00000 | -0.99000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.25000 |
(1/2,1/2,1/2) + set click here to show and hide |
2 | 0.50000 | 0.00000 | 0.75000 |
(0,0,1/2)' + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.75000 |
(1/2,1/2,0)' + set click here to show and hide |
4 | 0.50000 | 0.00000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Cl1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(1/2,1/2,1/2) + set click here to show and hide |
2 | 0.50000 | 0.50000 | 0.50000 |
(0,0,1/2)' + set click here to show and hide |
3 | 0.00000 | 0.00000 | 0.50000 |
(1/2,1/2,0)' + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Cu1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.15988 |
2 | 0.00000 | 0.00000 | 0.34012 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.65988 |
4 | 0.50000 | 0.50000 | 0.84012 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.65988 |
6 | 0.00000 | 0.00000 | 0.84012 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.50000 | 0.50000 | 0.15988 |
8 | 0.50000 | 0.50000 | 0.34012 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25390 |
2 | 0.00000 | 0.00000 | 0.24610 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.75390 |
4 | 0.50000 | 0.50000 | 0.74610 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.00000 | 0.75390 |
6 | 0.00000 | 0.00000 | 0.74610 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.50000 | 0.50000 | 0.25390 |
8 | 0.50000 | 0.50000 | 0.24610 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.75000 | 0.25000 | 0.14547 |
2 | 0.25000 | 0.25000 | 0.35453 |
3 | 0.25000 | 0.75000 | 0.35453 |
4 | 0.75000 | 0.75000 | 0.14547 |
(1/2,1/2,1/2) + set click here to show and hide |
5 | 0.25000 | 0.75000 | 0.64547 |
6 | 0.75000 | 0.75000 | 0.85453 |
7 | 0.75000 | 0.25000 | 0.85453 |
8 | 0.25000 | 0.25000 | 0.64547 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.75000 | 0.25000 | 0.64547 |
10 | 0.25000 | 0.25000 | 0.85453 |
11 | 0.25000 | 0.75000 | 0.85453 |
12 | 0.75000 | 0.75000 | 0.64547 |
(1/2,1/2,0)' + set click here to show and hide |
13 | 0.25000 | 0.75000 | 0.14547 |
14 | 0.75000 | 0.75000 | 0.35453 |
15 | 0.75000 | 0.25000 | 0.35453 |
16 | 0.25000 | 0.25000 | 0.14547 |
Set of atoms in the unit cell related by symmetry with the atom Pb1:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.08269 |
2 | 0.00000 | 0.50000 | 0.41731 |
(1/2,1/2,1/2) + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.58269 |
4 | 0.50000 | 0.00000 | 0.91731 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.58269 |
6 | 0.00000 | 0.50000 | 0.91731 |
(1/2,1/2,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.08269 |
8 | 0.50000 | 0.00000 | 0.41731 |
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