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 | 0.25000 | 0.25000 | 0.42595 | mx,my,0 | 3.23000 | 0.00000 | 0.00000 |
2 | 0.75000 | 0.75000 | 0.07405 | mx,my,0 | 3.23000 | 0.00000 | 0.00000 |
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3 | 0.25000 | 0.25000 | 0.92595 | -mx,-my,0 | -3.23000 | 0.00000 | 0.00000 |
4 | 0.75000 | 0.75000 | 0.57405 | -mx,-my,0 | -3.23000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom F1:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.17635 |
2 | 0.75000 | 0.75000 | 0.32365 |
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3 | 0.25000 | 0.25000 | 0.67635 |
4 | 0.75000 | 0.75000 | 0.82365 |
Set of atoms in the unit cell related by symmetry with the atom O11:
Atom | x | y | z |
1 | 0.25000 | 0.75000 | 0.25000 |
2 | 0.75000 | 0.25000 | 0.25000 |
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3 | 0.25000 | 0.75000 | 0.75000 |
4 | 0.75000 | 0.25000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.85273 | 0.97690 | 0.07065 |
2 | 0.64727 | 0.52310 | 0.57065 |
3 | 0.14727 | 0.02310 | 0.42935 |
4 | 0.35273 | 0.47690 | 0.92935 |
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5 | 0.85273 | 0.97690 | 0.57065 |
6 | 0.64727 | 0.52310 | 0.07065 |
7 | 0.14727 | 0.02310 | 0.92935 |
8 | 0.35273 | 0.47690 | 0.42935 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.52310 | 0.85273 | 0.07065 |
2 | 0.97690 | 0.64727 | 0.57065 |
3 | 0.47690 | 0.14727 | 0.42935 |
4 | 0.02310 | 0.35273 | 0.92935 |
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5 | 0.52310 | 0.85273 | 0.57065 |
6 | 0.97690 | 0.64727 | 0.07065 |
7 | 0.47690 | 0.14727 | 0.92935 |
8 | 0.02310 | 0.35273 | 0.42935 |
Set of atoms in the unit cell related by symmetry with the atom F2_1:
Atom | x | y | z |
1 | 0.85273 | 0.97690 | 0.07065 |
2 | 0.64727 | 0.52310 | 0.57065 |
3 | 0.14727 | 0.02310 | 0.42935 |
4 | 0.35273 | 0.47690 | 0.92935 |
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5 | 0.85273 | 0.97690 | 0.57065 |
6 | 0.64727 | 0.52310 | 0.07065 |
7 | 0.14727 | 0.02310 | 0.92935 |
8 | 0.35273 | 0.47690 | 0.42935 |
Set of atoms in the unit cell related by symmetry with the atom F2_2:
Atom | x | y | z |
1 | 0.52310 | 0.85273 | 0.07065 |
2 | 0.97690 | 0.64727 | 0.57065 |
3 | 0.47690 | 0.14727 | 0.42935 |
4 | 0.02310 | 0.35273 | 0.92935 |
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5 | 0.52310 | 0.85273 | 0.57065 |
6 | 0.97690 | 0.64727 | 0.07065 |
7 | 0.47690 | 0.14727 | 0.92935 |
8 | 0.02310 | 0.35273 | 0.42935 |
Set of atoms in the unit cell related by symmetry with the atom H11_1:
Atom | x | y | z |
1 | 0.17770 | 0.92040 | 0.36450 |
2 | 0.32230 | 0.57960 | 0.86450 |
3 | 0.82230 | 0.07960 | 0.13550 |
4 | 0.67770 | 0.42040 | 0.63550 |
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5 | 0.17770 | 0.92040 | 0.86450 |
6 | 0.32230 | 0.57960 | 0.36450 |
7 | 0.82230 | 0.07960 | 0.63550 |
8 | 0.67770 | 0.42040 | 0.13550 |
Set of atoms in the unit cell related by symmetry with the atom H11_2:
Atom | x | y | z |
1 | 0.57960 | 0.17770 | 0.36450 |
2 | 0.92040 | 0.32230 | 0.86450 |
3 | 0.42040 | 0.82230 | 0.13550 |
4 | 0.07960 | 0.67770 | 0.63550 |
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5 | 0.57960 | 0.17770 | 0.86450 |
6 | 0.92040 | 0.32230 | 0.36450 |
7 | 0.42040 | 0.82230 | 0.63550 |
8 | 0.07960 | 0.67770 | 0.13550 |
Set of atoms in the unit cell related by symmetry with the atom H1_1:
Atom | x | y | z |
1 | 0.34810 | 0.78400 | 0.18000 |
2 | 0.15190 | 0.71600 | 0.68000 |
3 | 0.65190 | 0.21600 | 0.32000 |
4 | 0.84810 | 0.28400 | 0.82000 |
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5 | 0.34810 | 0.78400 | 0.68000 |
6 | 0.15190 | 0.71600 | 0.18000 |
7 | 0.65190 | 0.21600 | 0.82000 |
8 | 0.84810 | 0.28400 | 0.32000 |
Set of atoms in the unit cell related by symmetry with the atom H1_2:
Atom | x | y | z |
1 | 0.71600 | 0.34810 | 0.18000 |
2 | 0.78400 | 0.15190 | 0.68000 |
3 | 0.28400 | 0.65190 | 0.32000 |
4 | 0.21600 | 0.84810 | 0.82000 |
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5 | 0.71600 | 0.34810 | 0.68000 |
6 | 0.78400 | 0.15190 | 0.18000 |
7 | 0.28400 | 0.65190 | 0.82000 |
8 | 0.21600 | 0.84810 | 0.32000 |
Set of atoms in the unit cell related by symmetry with the atom H2_1:
Atom | x | y | z |
1 | 0.03150 | 0.00000 | 0.00000 |
2 | 0.46850 | 0.50000 | 0.50000 |
3 | 0.96850 | 0.00000 | 0.50000 |
4 | 0.53150 | 0.50000 | 0.00000 |
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5 | 0.03150 | 0.00000 | 0.50000 |
6 | 0.46850 | 0.50000 | 0.00000 |
7 | 0.96850 | 0.00000 | 0.00000 |
8 | 0.53150 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom H2_2:
Atom | x | y | z |
1 | 0.50000 | 0.03150 | 0.00000 |
2 | 0.00000 | 0.46850 | 0.50000 |
3 | 0.50000 | 0.96850 | 0.50000 |
4 | 0.00000 | 0.53150 | 0.00000 |
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5 | 0.50000 | 0.03150 | 0.50000 |
6 | 0.00000 | 0.46850 | 0.00000 |
7 | 0.50000 | 0.96850 | 0.00000 |
8 | 0.00000 | 0.53150 | 0.50000 |
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