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 Fe7PR:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33333 | 0.66667 | 0.74525 | 0,0,mz | 0.00000 | 0.00000 | 3.50000 |
2 | 0.66666 | 0.33333 | 0.24525 | 0,0,mz | 0.00000 | 0.00000 | 3.50000 |
3 | 0.66667 | 0.33333 | 0.25475 | 0,0,mz | 0.00000 | 0.00000 | 3.50000 |
4 | 0.33334 | 0.66667 | 0.75475 | 0,0,mz | 0.00000 | 0.00000 | 3.50000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4OS:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33333 | 0.66667 | 0.92472 | 0,0,mz | 0.00000 | 0.00000 | 3.40000 |
2 | 0.66666 | 0.33333 | 0.42472 | 0,0,mz | 0.00000 | 0.00000 | 3.40000 |
3 | 0.66667 | 0.33333 | 0.07528 | 0,0,mz | 0.00000 | 0.00000 | 3.40000 |
4 | 0.33334 | 0.66667 | 0.57528 | 0,0,mz | 0.00000 | 0.00000 | 3.40000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3OSS:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.00000 | 0.00000 | mx,2mx,mz | 0.00000 | 0.00000 | 2.40000 |
2 | 0.50000 | 0.50000 | 0.50000 | -mx,mx,mz | 0.00000 | 0.00000 | 2.40000 |
3 | 0.00000 | 0.50000 | 0.00000 | -2mx,-mx,mz | 0.00000 | 0.00000 | 2.40000 |
4 | 0.50000 | 0.00000 | 0.50000 | -mx,-2mx,mz | 0.00000 | 0.00000 | 2.40000 |
5 | 0.50000 | 0.50000 | 0.00000 | mx,-mx,mz | 0.00000 | 0.00000 | 2.40000 |
6 | 0.00000 | 0.50000 | 0.50000 | 2mx,mx,mz | 0.00000 | 0.00000 | 2.40000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1TS:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | | | | | | | |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2TS:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33333 | 0.66667 | 0.09400 | 0,0,mz | 0.00000 | 0.00000 | -3.50000 |
2 | 0.66666 | 0.33333 | 0.59400 | 0,0,mz | 0.00000 | 0.00000 | -3.50000 |
3 | 0.66667 | 0.33333 | 0.90600 | 0,0,mz | 0.00000 | 0.00000 | -3.50000 |
4 | 0.33334 | 0.66667 | 0.40600 | 0,0,mz | 0.00000 | 0.00000 | -3.50000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe6OR:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33333 | 0.66667 | 0.20856 | 0,0,mz | 0.00000 | 0.00000 | -4.40000 |
2 | 0.66666 | 0.33333 | 0.70856 | 0,0,mz | 0.00000 | 0.00000 | -4.40000 |
3 | 0.66667 | 0.33333 | 0.79144 | 0,0,mz | 0.00000 | 0.00000 | -4.40000 |
4 | 0.33334 | 0.66667 | 0.29144 | 0,0,mz | 0.00000 | 0.00000 | -4.40000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5ORS:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.83606 | 0.67212 | 0.15139 | mx,2mx,mz | 0.00000 | 0.00000 | 2.90000 |
2 | 0.16394 | 0.83606 | 0.65139 | -mx,mx,mz | 0.00000 | 0.00000 | 2.90000 |
3 | 0.32788 | 0.16394 | 0.15139 | -2mx,-mx,mz | 0.00000 | 0.00000 | 2.90000 |
4 | 0.16394 | 0.32788 | 0.65139 | -mx,-2mx,mz | 0.00000 | 0.00000 | 2.90000 |
5 | 0.83606 | 0.16394 | 0.15139 | mx,-mx,mz | 0.00000 | 0.00000 | 2.90000 |
6 | 0.67212 | 0.83606 | 0.65139 | 2mx,mx,mz | 0.00000 | 0.00000 | 2.90000 |
7 | 0.16394 | 0.32788 | 0.84861 | mx,2mx,mz | 0.00000 | 0.00000 | 2.90000 |
8 | 0.83606 | 0.16394 | 0.34861 | -mx,mx,mz | 0.00000 | 0.00000 | 2.90000 |
9 | 0.67212 | 0.83606 | 0.84861 | -2mx,-mx,mz | 0.00000 | 0.00000 | 2.90000 |
10 | 0.83606 | 0.67212 | 0.34861 | -mx,-2mx,mz | 0.00000 | 0.00000 | 2.90000 |
11 | 0.16394 | 0.83606 | 0.84861 | mx,-mx,mz | 0.00000 | 0.00000 | 2.90000 |
12 | 0.32788 | 0.16394 | 0.34861 | 2mx,mx,mz | 0.00000 | 0.00000 | 2.90000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Sr1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Zn4OS:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.92472 |
2 | 0.66666 | 0.33333 | 0.42472 |
3 | 0.66667 | 0.33333 | 0.07528 |
4 | 0.33334 | 0.66667 | 0.57528 |
Set of atoms in the unit cell related by symmetry with the atom Zn3OSS:
Atom | x | y | z |
1 | 0.50000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.50000 |
3 | 0.00000 | 0.50000 | 0.00000 |
4 | 0.50000 | 0.00000 | 0.50000 |
5 | 0.50000 | 0.50000 | 0.00000 |
6 | 0.00000 | 0.50000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Zn1TS:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.05650 |
2 | 0.00000 | 0.00000 | 0.55650 |
3 | 0.00000 | 0.00000 | 0.94350 |
4 | 0.00000 | 0.00000 | 0.44350 |
Set of atoms in the unit cell related by symmetry with the atom Zn2TS:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.09400 |
2 | 0.66666 | 0.33333 | 0.59400 |
3 | 0.66667 | 0.33333 | 0.90600 |
4 | 0.33334 | 0.66667 | 0.40600 |
Set of atoms in the unit cell related by symmetry with the atom Zn6OR:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.20856 |
2 | 0.66666 | 0.33333 | 0.70856 |
3 | 0.66667 | 0.33333 | 0.79144 |
4 | 0.33334 | 0.66667 | 0.29144 |
Set of atoms in the unit cell related by symmetry with the atom Zn5ORS:
Atom | x | y | z |
1 | 0.83606 | 0.67212 | 0.15139 |
2 | 0.16394 | 0.83606 | 0.65139 |
3 | 0.32788 | 0.16394 | 0.15139 |
4 | 0.16394 | 0.32788 | 0.65139 |
5 | 0.83606 | 0.16394 | 0.15139 |
6 | 0.67212 | 0.83606 | 0.65139 |
7 | 0.16394 | 0.32788 | 0.84861 |
8 | 0.83606 | 0.16394 | 0.34861 |
9 | 0.67212 | 0.83606 | 0.84861 |
10 | 0.83606 | 0.67212 | 0.34861 |
11 | 0.16394 | 0.83606 | 0.84861 |
12 | 0.32788 | 0.16394 | 0.34861 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.82235 | 0.64470 | 0.03517 |
2 | 0.17765 | 0.82235 | 0.53517 |
3 | 0.35530 | 0.17765 | 0.03517 |
4 | 0.17765 | 0.35530 | 0.53517 |
5 | 0.82235 | 0.17765 | 0.03517 |
6 | 0.64470 | 0.82235 | 0.53517 |
7 | 0.17765 | 0.35530 | 0.96483 |
8 | 0.82235 | 0.17765 | 0.46483 |
9 | 0.64470 | 0.82235 | 0.96483 |
10 | 0.82235 | 0.64470 | 0.46483 |
11 | 0.17765 | 0.82235 | 0.96483 |
12 | 0.35530 | 0.17765 | 0.46483 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.03394 |
2 | 0.66666 | 0.33333 | 0.53394 |
3 | 0.66667 | 0.33333 | 0.96606 |
4 | 0.33334 | 0.66667 | 0.46606 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.51220 | 0.02440 | 0.11054 |
2 | 0.48780 | 0.51220 | 0.61054 |
3 | 0.97560 | 0.48780 | 0.11054 |
4 | 0.48780 | 0.97560 | 0.61054 |
5 | 0.51220 | 0.48780 | 0.11054 |
6 | 0.02440 | 0.51220 | 0.61054 |
7 | 0.48780 | 0.97560 | 0.88946 |
8 | 0.51220 | 0.48780 | 0.38946 |
9 | 0.02440 | 0.51220 | 0.88946 |
10 | 0.51220 | 0.02440 | 0.38946 |
11 | 0.48780 | 0.51220 | 0.88946 |
12 | 0.97560 | 0.48780 | 0.38946 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.11473 |
2 | 0.00000 | 0.00000 | 0.61473 |
3 | 0.00000 | 0.00000 | 0.88527 |
4 | 0.00000 | 0.00000 | 0.38527 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.16173 | 0.32346 | 0.18037 |
2 | 0.83827 | 0.16173 | 0.68037 |
3 | 0.67654 | 0.83827 | 0.18037 |
4 | 0.83827 | 0.67654 | 0.68037 |
5 | 0.16173 | 0.83827 | 0.18037 |
6 | 0.32346 | 0.16173 | 0.68037 |
7 | 0.83827 | 0.67654 | 0.81963 |
8 | 0.16173 | 0.83827 | 0.31963 |
9 | 0.32346 | 0.16173 | 0.81963 |
10 | 0.16173 | 0.32346 | 0.31963 |
11 | 0.83827 | 0.16173 | 0.81963 |
12 | 0.67654 | 0.83827 | 0.31963 |
Set of atoms in the unit cell related by symmetry with the atom O6:
Atom | x | y | z |
1 | 0.33333 | 0.66667 | 0.81945 |
2 | 0.66666 | 0.33333 | 0.31945 |
3 | 0.66667 | 0.33333 | 0.18055 |
4 | 0.33334 | 0.66667 | 0.68055 |
Set of atoms in the unit cell related by symmetry with the atom O7:
Atom | x | y | z |
1 | 0.48415 | 0.96830 | 0.25000 |
2 | 0.51585 | 0.48415 | 0.75000 |
3 | 0.03170 | 0.51585 | 0.25000 |
4 | 0.51585 | 0.03170 | 0.75000 |
5 | 0.48415 | 0.51585 | 0.25000 |
6 | 0.96830 | 0.48415 | 0.75000 |
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