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 Fe2_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.50000 | 0.00000 | 0.25000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.50000 | 0.50000 | 0.75000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
3 | 0.50000 | 0.00000 | 0.75000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
4 | 0.50000 | 0.50000 | 0.25000 | 0,0,0 | 0.00000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.25000 | 0.25000 | mx,my,mz | 0.44000 | 2.71000 | 0.00000 |
2 | 0.50000 | 0.75000 | 0.75000 | mx-my,-my,-mz | -2.27000 | -2.71000 | 0.00000 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.00000 | 0.75000 | 0.75000 | mx,my,mz | 0.44000 | 2.71000 | 0.00000 |
4 | 0.50000 | 0.25000 | 0.25000 | mx-my,-my,-mz | -2.27000 | -2.71000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.25000 | 0.75000 | -mx,-my,-mz | -0.44000 | -2.71000 | 0.00000 |
6 | 0.50000 | 0.75000 | 0.25000 | -mx+my,my,mz | 2.27000 | 2.71000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.00000 | 0.75000 | 0.25000 | -mx,-my,-mz | -0.44000 | -2.71000 | 0.00000 |
8 | 0.50000 | 0.25000 | 0.75000 | -mx+my,my,mz | 2.27000 | 2.71000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Fe1:
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 |
(0,0,1/2)' + set click here to show and hide |
3 | 0.00000 | 0.00000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
4 | 0.00000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Sn1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
(0,1/2,1/2) + set click here to show and hide |
2 | 0.00000 | 0.50000 | 0.75000 |
(0,0,1/2)' + set click here to show and hide |
3 | 0.00000 | 0.00000 | 0.75000 |
(0,1/2,0)' + set click here to show and hide |
4 | 0.00000 | 0.50000 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Sn2_1:
Atom | x | y | z |
1 | 0.16518 | 0.41741 | 0.41962 |
2 | 0.33036 | 0.58259 | 0.58038 |
3 | 0.83482 | 0.58259 | 0.58038 |
4 | 0.66964 | 0.41741 | 0.41962 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.16518 | 0.91741 | 0.91962 |
6 | 0.33036 | 0.08259 | 0.08038 |
7 | 0.83482 | 0.08259 | 0.08038 |
8 | 0.66964 | 0.91741 | 0.91962 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.16518 | 0.41741 | 0.91962 |
10 | 0.33036 | 0.58259 | 0.08038 |
11 | 0.83482 | 0.58259 | 0.08038 |
12 | 0.66964 | 0.41741 | 0.91962 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.16518 | 0.91741 | 0.41962 |
14 | 0.33036 | 0.08259 | 0.58038 |
15 | 0.83482 | 0.08259 | 0.58038 |
16 | 0.66964 | 0.91741 | 0.41962 |
Set of atoms in the unit cell related by symmetry with the atom Sn2_2:
Atom | x | y | z |
1 | 0.16517 | 0.16517 | 0.41962 |
2 | 0.83483 | 0.83483 | 0.58038 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.16517 | 0.66517 | 0.91962 |
4 | 0.83483 | 0.33483 | 0.08038 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.16517 | 0.16517 | 0.91962 |
6 | 0.83483 | 0.83483 | 0.08038 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.16517 | 0.66517 | 0.41962 |
8 | 0.83483 | 0.33483 | 0.58038 |
Set of atoms in the unit cell related by symmetry with the atom Si1:
Atom | x | y | z |
1 | 0.33333 | 0.33333 | 0.11760 |
2 | 0.66667 | 0.66667 | 0.88240 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.33333 | 0.83333 | 0.61760 |
4 | 0.66667 | 0.16667 | 0.38240 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.33333 | 0.33333 | 0.61760 |
6 | 0.66667 | 0.66667 | 0.38240 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.33333 | 0.83333 | 0.11760 |
8 | 0.66667 | 0.16667 | 0.88240 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.33333 | 0.33333 | 0.20770 |
2 | 0.66667 | 0.66667 | 0.79230 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.33333 | 0.83333 | 0.70770 |
4 | 0.66667 | 0.16667 | 0.29230 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.33333 | 0.33333 | 0.70770 |
6 | 0.66667 | 0.66667 | 0.29230 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.33333 | 0.83333 | 0.20770 |
8 | 0.66667 | 0.16667 | 0.79230 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.33333 | 0.33333 | 0.43645 |
2 | 0.66667 | 0.66667 | 0.56355 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.33333 | 0.83333 | 0.93645 |
4 | 0.66667 | 0.16667 | 0.06355 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.33333 | 0.33333 | 0.93645 |
6 | 0.66667 | 0.66667 | 0.06355 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.33333 | 0.83333 | 0.43645 |
8 | 0.66667 | 0.16667 | 0.56355 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.15330 | 0.42335 | 0.30755 |
2 | 0.30660 | 0.57665 | 0.69245 |
3 | 0.84670 | 0.57665 | 0.69245 |
4 | 0.69340 | 0.42335 | 0.30755 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.15330 | 0.92335 | 0.80755 |
6 | 0.30660 | 0.07665 | 0.19245 |
7 | 0.84670 | 0.07665 | 0.19245 |
8 | 0.69340 | 0.92335 | 0.80755 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.15330 | 0.42335 | 0.80755 |
10 | 0.30660 | 0.57665 | 0.19245 |
11 | 0.84670 | 0.57665 | 0.19245 |
12 | 0.69340 | 0.42335 | 0.80755 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.15330 | 0.92335 | 0.30755 |
14 | 0.30660 | 0.07665 | 0.69245 |
15 | 0.84670 | 0.07665 | 0.69245 |
16 | 0.69340 | 0.92335 | 0.30755 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.15330 | 0.15330 | 0.30755 |
2 | 0.84670 | 0.84670 | 0.69245 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.15330 | 0.65330 | 0.80755 |
4 | 0.84670 | 0.34670 | 0.19245 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.15330 | 0.15330 | 0.80755 |
6 | 0.84670 | 0.84670 | 0.19245 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.15330 | 0.65330 | 0.30755 |
8 | 0.84670 | 0.34670 | 0.69245 |
Set of atoms in the unit cell related by symmetry with the atom O4_1:
Atom | x | y | z |
1 | 0.46360 | 0.26820 | 0.09125 |
2 | 0.92720 | 0.73180 | 0.90875 |
3 | 0.53640 | 0.73180 | 0.90875 |
4 | 0.07280 | 0.26820 | 0.09125 |
(0,1/2,1/2) + set click here to show and hide |
5 | 0.46360 | 0.76820 | 0.59125 |
6 | 0.92720 | 0.23180 | 0.40875 |
7 | 0.53640 | 0.23180 | 0.40875 |
8 | 0.07280 | 0.76820 | 0.59125 |
(0,0,1/2)' + set click here to show and hide |
9 | 0.46360 | 0.26820 | 0.59125 |
10 | 0.92720 | 0.73180 | 0.40875 |
11 | 0.53640 | 0.73180 | 0.40875 |
12 | 0.07280 | 0.26820 | 0.59125 |
(0,1/2,0)' + set click here to show and hide |
13 | 0.46360 | 0.76820 | 0.09125 |
14 | 0.92720 | 0.23180 | 0.90875 |
15 | 0.53640 | 0.23180 | 0.90875 |
16 | 0.07280 | 0.76820 | 0.09125 |
Set of atoms in the unit cell related by symmetry with the atom O4_2:
Atom | x | y | z |
1 | 0.46360 | 0.46360 | 0.09125 |
2 | 0.53640 | 0.53640 | 0.90875 |
(0,1/2,1/2) + set click here to show and hide |
3 | 0.46360 | 0.96360 | 0.59125 |
4 | 0.53640 | 0.03640 | 0.40875 |
(0,0,1/2)' + set click here to show and hide |
5 | 0.46360 | 0.46360 | 0.59125 |
6 | 0.53640 | 0.53640 | 0.40875 |
(0,1/2,0)' + set click here to show and hide |
7 | 0.46360 | 0.96360 | 0.09125 |
8 | 0.53640 | 0.03640 | 0.90875 |
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