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 | 0.00000 | mx,my,mz | -1.17000 | 0.10000 | 4.14300 |
2 | 0.50000 | 0.00000 | 0.50000 | mx,-my,-mz | -1.17000 | -0.10000 | -4.14300 |
3 | 0.50000 | 0.50000 | 0.50000 | mx,my,-mz | -1.17000 | 0.10000 | -4.14300 |
4 | 0.00000 | 0.50000 | 0.00000 | mx,-my,mz | -1.17000 | -0.10000 | 4.14300 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.06612 | 0.25000 | 0.94597 | mx,0,mz | -0.68000 | 0.00000 | -3.66300 |
2 | 0.56612 | 0.75000 | 0.55403 | mx,0,-mz | -0.68000 | 0.00000 | 3.66300 |
3 | 0.93388 | 0.75000 | 0.05403 | mx,0,mz | -0.68000 | 0.00000 | -3.66300 |
4 | 0.43388 | 0.25000 | 0.44597 | mx,0,-mz | -0.68000 | 0.00000 | 3.66300 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ca1:
Atom | x | y | z |
1 | 0.97706 | 0.10790 | 0.48088 |
2 | 0.47706 | 0.89210 | 0.01912 |
3 | 0.02294 | 0.89210 | 0.51912 |
4 | 0.52294 | 0.10790 | 0.98088 |
5 | 0.52294 | 0.39210 | 0.98088 |
6 | 0.02294 | 0.60790 | 0.51912 |
7 | 0.47706 | 0.60790 | 0.01912 |
8 | 0.97706 | 0.39210 | 0.48088 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.76322 | 0.98390 | 0.26299 |
2 | 0.26322 | 0.01610 | 0.23701 |
3 | 0.23678 | 0.01610 | 0.73701 |
4 | 0.73678 | 0.98390 | 0.76299 |
5 | 0.73678 | 0.51610 | 0.76299 |
6 | 0.23678 | 0.48390 | 0.73701 |
7 | 0.26322 | 0.48390 | 0.23701 |
8 | 0.76322 | 0.51610 | 0.26299 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.92741 | 0.14069 | 0.02386 |
2 | 0.42741 | 0.85931 | 0.47614 |
3 | 0.07259 | 0.85931 | 0.97614 |
4 | 0.57259 | 0.14069 | 0.52386 |
5 | 0.57259 | 0.35931 | 0.52386 |
6 | 0.07259 | 0.64069 | 0.97614 |
7 | 0.42741 | 0.64069 | 0.47614 |
8 | 0.92741 | 0.35931 | 0.02386 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.12579 | 0.25000 | 0.59786 |
2 | 0.62579 | 0.75000 | 0.90214 |
3 | 0.87421 | 0.75000 | 0.40214 |
4 | 0.37421 | 0.25000 | 0.09786 |
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