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 | 0.25000 | mx,my,mz | -0.61000 | 2.87000 | -1.77000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.75000 | mx,my,mz | -0.61000 | 2.87000 | -1.77000 |
(1/2,1/4,3/4) + set click here to show and hide |
3 | 0.50000 | 0.25000 | 0.00000 | mx,my,mz | -0.61000 | 2.87000 | -1.77000 |
(1/2,3/4,1/4) + set click here to show and hide |
4 | 0.50000 | 0.75000 | 0.50000 | mx,my,mz | -0.61000 | 2.87000 | -1.77000 |
(1/2,1/4,1/4)' + set click here to show and hide |
5 | 0.50000 | 0.25000 | 0.50000 | -mx,-my,-mz | 0.61000 | -2.87000 | 1.77000 |
(1/2,3/4,3/4)' + set click here to show and hide |
6 | 0.50000 | 0.75000 | 0.00000 | -mx,-my,-mz | 0.61000 | -2.87000 | 1.77000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.00000 | 0.50000 | 0.25000 | -mx,-my,-mz | 0.61000 | -2.87000 | 1.77000 |
(0,0,1/2)' + set click here to show and hide |
8 | 0.00000 | 0.00000 | 0.75000 | -mx,-my,-mz | 0.61000 | -2.87000 | 1.77000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.12500 |
2 | 0.00000 | 0.25000 | 0.87500 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.75000 | 0.62500 |
4 | 0.00000 | 0.75000 | 0.37500 |
(1/2,1/4,3/4) + set click here to show and hide |
5 | 0.50000 | 0.50000 | 0.87500 |
6 | 0.50000 | 0.50000 | 0.62500 |
(1/2,3/4,1/4) + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.37500 |
8 | 0.50000 | 0.00000 | 0.12500 |
(1/2,1/4,1/4)' + set click here to show and hide |
9 | 0.50000 | 0.50000 | 0.37500 |
10 | 0.50000 | 0.50000 | 0.12500 |
(1/2,3/4,3/4)' + set click here to show and hide |
11 | 0.50000 | 0.00000 | 0.87500 |
12 | 0.50000 | 0.00000 | 0.62500 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.00000 | 0.75000 | 0.12500 |
14 | 0.00000 | 0.75000 | 0.87500 |
(0,0,1/2)' + set click here to show and hide |
15 | 0.00000 | 0.25000 | 0.62500 |
16 | 0.00000 | 0.25000 | 0.37500 |
Set of atoms in the unit cell related by symmetry with the atom W1:
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 |
(1/2,1/4,3/4) + set click here to show and hide |
3 | 0.50000 | 0.25000 | 0.75000 |
(1/2,3/4,1/4) + set click here to show and hide |
4 | 0.50000 | 0.75000 | 0.25000 |
(1/2,1/4,1/4)' + set click here to show and hide |
5 | 0.50000 | 0.25000 | 0.25000 |
(1/2,3/4,3/4)' + set click here to show and hide |
6 | 0.50000 | 0.75000 | 0.75000 |
(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 O1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.12050 |
2 | 0.00000 | 0.50000 | 0.87950 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.62050 |
4 | 0.00000 | 0.00000 | 0.37950 |
(1/2,1/4,3/4) + set click here to show and hide |
5 | 0.50000 | 0.25000 | 0.87050 |
6 | 0.50000 | 0.75000 | 0.62950 |
(1/2,3/4,1/4) + set click here to show and hide |
7 | 0.50000 | 0.75000 | 0.37050 |
8 | 0.50000 | 0.25000 | 0.12950 |
(1/2,1/4,1/4)' + set click here to show and hide |
9 | 0.50000 | 0.25000 | 0.37050 |
10 | 0.50000 | 0.75000 | 0.12950 |
(1/2,3/4,3/4)' + set click here to show and hide |
11 | 0.50000 | 0.75000 | 0.87050 |
12 | 0.50000 | 0.25000 | 0.62950 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.00000 | 0.50000 | 0.12050 |
14 | 0.00000 | 0.00000 | 0.87950 |
(0,0,1/2)' + set click here to show and hide |
15 | 0.00000 | 0.00000 | 0.62050 |
16 | 0.00000 | 0.50000 | 0.37950 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.23900 | 0.11750 | 0.00000 |
2 | 0.76100 | 0.38250 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.23900 | 0.61750 | 0.50000 |
4 | 0.76100 | 0.88250 | 0.50000 |
(1/2,1/4,3/4) + set click here to show and hide |
5 | 0.73900 | 0.36750 | 0.75000 |
6 | 0.26100 | 0.63250 | 0.75000 |
(1/2,3/4,1/4) + set click here to show and hide |
7 | 0.73900 | 0.86750 | 0.25000 |
8 | 0.26100 | 0.13250 | 0.25000 |
(1/2,1/4,1/4)' + set click here to show and hide |
9 | 0.73900 | 0.36750 | 0.25000 |
10 | 0.26100 | 0.63250 | 0.25000 |
(1/2,3/4,3/4)' + set click here to show and hide |
11 | 0.73900 | 0.86750 | 0.75000 |
12 | 0.26100 | 0.13250 | 0.75000 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.23900 | 0.61750 | 0.00000 |
14 | 0.76100 | 0.88250 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
15 | 0.23900 | 0.11750 | 0.50000 |
16 | 0.76100 | 0.38250 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.76500 | 0.11950 | 0.00000 |
2 | 0.23500 | 0.38050 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.76500 | 0.61950 | 0.50000 |
4 | 0.23500 | 0.88050 | 0.50000 |
(1/2,1/4,3/4) + set click here to show and hide |
5 | 0.26500 | 0.36950 | 0.75000 |
6 | 0.73500 | 0.63050 | 0.75000 |
(1/2,3/4,1/4) + set click here to show and hide |
7 | 0.26500 | 0.86950 | 0.25000 |
8 | 0.73500 | 0.13050 | 0.25000 |
(1/2,1/4,1/4)' + set click here to show and hide |
9 | 0.26500 | 0.36950 | 0.25000 |
10 | 0.73500 | 0.63050 | 0.25000 |
(1/2,3/4,3/4)' + set click here to show and hide |
11 | 0.26500 | 0.86950 | 0.75000 |
12 | 0.73500 | 0.13050 | 0.75000 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.76500 | 0.61950 | 0.00000 |
14 | 0.23500 | 0.88050 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
15 | 0.76500 | 0.11950 | 0.50000 |
16 | 0.23500 | 0.38050 | 0.50000 |
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