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 Mn1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25192 | 0.25000 | 0.25000 | 0,my,mz | 0.00000 | 5.04000 | 0.00000 |
2 | 0.24808 | 0.75000 | 0.25000 | 0,-my,mz | 0.00000 | -5.04000 | 0.00000 |
3 | 0.74808 | 0.75000 | 0.75000 | 0,my,mz | 0.00000 | 5.04000 | 0.00000 |
4 | 0.75192 | 0.25000 | 0.75000 | 0,-my,mz | 0.00000 | -5.04000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.25685 | 0.40746 | 0.37153 |
2 | 0.24315 | 0.59254 | 0.37153 |
3 | 0.74315 | 0.59254 | 0.62847 |
4 | 0.75685 | 0.40746 | 0.62847 |
5 | 0.25685 | 0.09254 | 0.12847 |
6 | 0.24315 | 0.90746 | 0.12847 |
7 | 0.74315 | 0.90746 | 0.87153 |
8 | 0.75685 | 0.09254 | 0.87153 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.40434 | 0.17949 | 0.41632 |
2 | 0.09566 | 0.82051 | 0.41632 |
3 | 0.59566 | 0.82051 | 0.58368 |
4 | 0.90434 | 0.17949 | 0.58368 |
5 | 0.40434 | 0.32051 | 0.08368 |
6 | 0.09566 | 0.67949 | 0.08368 |
7 | 0.59566 | 0.67949 | 0.91632 |
8 | 0.90434 | 0.32051 | 0.91632 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.55742 | 0.19135 | 0.61227 |
2 | 0.94258 | 0.80865 | 0.61227 |
3 | 0.44258 | 0.80865 | 0.38773 |
4 | 0.05742 | 0.19135 | 0.38773 |
5 | 0.55742 | 0.30865 | 0.88773 |
6 | 0.94258 | 0.69135 | 0.88773 |
7 | 0.44258 | 0.69135 | 0.11227 |
8 | 0.05742 | 0.30865 | 0.11227 |
Set of atoms in the unit cell related by symmetry with the atom C1:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.18920 |
2 | 0.75000 | 0.00000 | 0.81080 |
3 | 0.25000 | 0.50000 | 0.31080 |
4 | 0.75000 | 0.50000 | 0.68920 |
Set of atoms in the unit cell related by symmetry with the atom H1:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.29180 |
2 | 0.75000 | 0.00000 | 0.70820 |
3 | 0.25000 | 0.50000 | 0.20820 |
4 | 0.75000 | 0.50000 | 0.79180 |
Set of atoms in the unit cell related by symmetry with the atom C2:
Atom | x | y | z |
1 | 0.51980 | 0.21654 | 0.48493 |
2 | 0.98020 | 0.78346 | 0.48493 |
3 | 0.48020 | 0.78346 | 0.51507 |
4 | 0.01980 | 0.21654 | 0.51507 |
5 | 0.51980 | 0.28346 | 0.01507 |
6 | 0.98020 | 0.71654 | 0.01507 |
7 | 0.48020 | 0.71654 | 0.98493 |
8 | 0.01980 | 0.28346 | 0.98493 |
Set of atoms in the unit cell related by symmetry with the atom H2:
Atom | x | y | z |
1 | 0.58330 | 0.26770 | 0.43590 |
2 | 0.91670 | 0.73230 | 0.43590 |
3 | 0.41670 | 0.73230 | 0.56410 |
4 | 0.08330 | 0.26770 | 0.56410 |
5 | 0.58330 | 0.23230 | 0.06410 |
6 | 0.91670 | 0.76770 | 0.06410 |
7 | 0.41670 | 0.76770 | 0.93590 |
8 | 0.08330 | 0.23230 | 0.93590 |
Set of atoms in the unit cell related by symmetry with the atom C3:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.74000 |
2 | 0.75000 | 0.00000 | 0.26000 |
3 | 0.25000 | 0.50000 | 0.76000 |
4 | 0.75000 | 0.50000 | 0.24000 |
Set of atoms in the unit cell related by symmetry with the atom N1:
Atom | x | y | z |
1 | 0.33610 | 0.42720 | 0.68777 |
2 | 0.16390 | 0.57280 | 0.68777 |
3 | 0.66390 | 0.57280 | 0.31223 |
4 | 0.83610 | 0.42720 | 0.31223 |
5 | 0.33610 | 0.07280 | 0.81223 |
6 | 0.16390 | 0.92720 | 0.81223 |
7 | 0.66390 | 0.92720 | 0.18777 |
8 | 0.83610 | 0.07280 | 0.18777 |
Set of atoms in the unit cell related by symmetry with the atom H3:
Atom | x | y | z |
1 | 0.33630 | 0.42710 | 0.59280 |
2 | 0.16370 | 0.57290 | 0.59280 |
3 | 0.66370 | 0.57290 | 0.40720 |
4 | 0.83630 | 0.42710 | 0.40720 |
5 | 0.33630 | 0.07290 | 0.90720 |
6 | 0.16370 | 0.92710 | 0.90720 |
7 | 0.66370 | 0.92710 | 0.09280 |
8 | 0.83630 | 0.07290 | 0.09280 |
Set of atoms in the unit cell related by symmetry with the atom H4:
Atom | x | y | z |
1 | 0.39230 | 0.37970 | 0.73540 |
2 | 0.10770 | 0.62030 | 0.73540 |
3 | 0.60770 | 0.62030 | 0.26460 |
4 | 0.89230 | 0.37970 | 0.26460 |
5 | 0.39230 | 0.12030 | 0.76460 |
6 | 0.10770 | 0.87970 | 0.76460 |
7 | 0.60770 | 0.87970 | 0.23540 |
8 | 0.89230 | 0.12030 | 0.23540 |
Set of atoms in the unit cell related by symmetry with the atom N2:
Atom | x | y | z |
1 | 0.25000 | 0.00000 | 0.59400 |
2 | 0.75000 | 0.00000 | 0.40600 |
3 | 0.25000 | 0.50000 | 0.90600 |
4 | 0.75000 | 0.50000 | 0.09400 |
Set of atoms in the unit cell related by symmetry with the atom H5:
Atom | x | y | z |
1 | 0.19370 | 0.54760 | 0.95340 |
2 | 0.30630 | 0.45240 | 0.95340 |
3 | 0.80630 | 0.45240 | 0.04660 |
4 | 0.69370 | 0.54760 | 0.04660 |
5 | 0.19370 | 0.95240 | 0.54660 |
6 | 0.30630 | 0.04760 | 0.54660 |
7 | 0.80630 | 0.04760 | 0.45340 |
8 | 0.69370 | 0.95240 | 0.45340 |
Set of atoms in the unit cell related by symmetry with the atom H6:
Atom | x | y | z |
1 | 0.30630 | 0.45240 | 0.95340 |
2 | 0.19370 | 0.54760 | 0.95340 |
3 | 0.69370 | 0.54760 | 0.04660 |
4 | 0.80630 | 0.45240 | 0.04660 |
5 | 0.30630 | 0.04760 | 0.54660 |
6 | 0.19370 | 0.95240 | 0.54660 |
7 | 0.69370 | 0.95240 | 0.45340 |
8 | 0.80630 | 0.04760 | 0.45340 |
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