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 Cu1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.99625 | 0.00076 | 0.49850 | mx,my,mz | 0.00000 | 0.63000 | 0.00000 |
2 | 0.00375 | 0.99924 | 0.99850 | -mx,-my,mz | 0.00000 | -0.63000 | 0.00000 |
3 | 0.50375 | 0.50076 | 0.99850 | mx,-my,-mz | 0.00000 | -0.63000 | 0.00000 |
4 | 0.49625 | 0.49924 | 0.49850 | -mx,my,-mz | 0.00000 | 0.63000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.86350 | 0.84890 | 0.56950 |
2 | 0.13650 | 0.15110 | 0.06950 |
3 | 0.63650 | 0.34890 | 0.06950 |
4 | 0.36350 | 0.65110 | 0.56950 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.70880 | 0.65290 | 0.55890 |
2 | 0.29120 | 0.34710 | 0.05890 |
3 | 0.79120 | 0.15290 | 0.05890 |
4 | 0.20880 | 0.84710 | 0.55890 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.99980 | 0.11000 | 0.65140 |
2 | 0.00020 | 0.89000 | 0.15140 |
3 | 0.50020 | 0.61000 | 0.15140 |
4 | 0.49980 | 0.39000 | 0.65140 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.01200 | 0.10850 | 0.84500 |
2 | 0.98800 | 0.89150 | 0.34500 |
3 | 0.48800 | 0.60850 | 0.34500 |
4 | 0.51200 | 0.39150 | 0.84500 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.16810 | 0.12320 | 0.43580 |
2 | 0.83190 | 0.87680 | 0.93580 |
3 | 0.33190 | 0.62320 | 0.93580 |
4 | 0.66810 | 0.37680 | 0.43580 |
Set of atoms in the unit cell related by symmetry with the atom O6:
Atom | x | y | z |
1 | 0.32190 | 0.31890 | 0.42420 |
2 | 0.67810 | 0.68110 | 0.92420 |
3 | 0.17810 | 0.81890 | 0.92420 |
4 | 0.82190 | 0.18110 | 0.42420 |
Set of atoms in the unit cell related by symmetry with the atom C1:
Atom | x | y | z |
1 | 0.74830 | 0.77750 | 0.52750 |
2 | 0.25170 | 0.22250 | 0.02750 |
3 | 0.75170 | 0.27750 | 0.02750 |
4 | 0.24830 | 0.72250 | 0.52750 |
Set of atoms in the unit cell related by symmetry with the atom H1:
Atom | x | y | z |
1 | 0.68950 | 0.82280 | 0.46870 |
2 | 0.31050 | 0.17720 | 0.96870 |
3 | 0.81050 | 0.32280 | 0.96870 |
4 | 0.18950 | 0.67720 | 0.46870 |
Set of atoms in the unit cell related by symmetry with the atom C2:
Atom | x | y | z |
1 | 0.00730 | 0.04460 | 0.74850 |
2 | 0.99270 | 0.95540 | 0.24850 |
3 | 0.49270 | 0.54460 | 0.24850 |
4 | 0.50730 | 0.45540 | 0.74850 |
Set of atoms in the unit cell related by symmetry with the atom H2:
Atom | x | y | z |
1 | 0.00950 | 0.94170 | 0.74820 |
2 | 0.99050 | 0.05830 | 0.24820 |
3 | 0.49050 | 0.44170 | 0.24820 |
4 | 0.50950 | 0.55830 | 0.74820 |
Set of atoms in the unit cell related by symmetry with the atom C3:
Atom | x | y | z |
1 | 0.20680 | 0.25390 | 0.46130 |
2 | 0.79320 | 0.74610 | 0.96130 |
3 | 0.29320 | 0.75390 | 0.96130 |
4 | 0.70680 | 0.24610 | 0.46130 |
Set of atoms in the unit cell related by symmetry with the atom H3:
Atom | x | y | z |
1 | 0.14190 | 0.30530 | 0.51290 |
2 | 0.85810 | 0.69470 | 0.01290 |
3 | 0.35810 | 0.80530 | 0.01290 |
4 | 0.64190 | 0.19470 | 0.51290 |
Set of atoms in the unit cell related by symmetry with the atom C4:
Atom | x | y | z |
1 | 0.00600 | 0.50070 | 0.74700 |
2 | 0.99400 | 0.49930 | 0.24700 |
3 | 0.49400 | 0.00070 | 0.24700 |
4 | 0.50600 | 0.99930 | 0.74700 |
Set of atoms in the unit cell related by symmetry with the atom N1:
Atom | x | y | z |
1 | 0.01470 | 0.64540 | 0.74400 |
2 | 0.98530 | 0.35460 | 0.24400 |
3 | 0.48530 | 0.14540 | 0.24400 |
4 | 0.51470 | 0.85460 | 0.74400 |
Set of atoms in the unit cell related by symmetry with the atom H4:
Atom | x | y | z |
1 | 0.07940 | 0.69100 | 0.78950 |
2 | 0.92060 | 0.30900 | 0.28950 |
3 | 0.42060 | 0.19100 | 0.28950 |
4 | 0.57940 | 0.80900 | 0.78950 |
Set of atoms in the unit cell related by symmetry with the atom H5:
Atom | x | y | z |
1 | 0.95560 | 0.69480 | 0.69680 |
2 | 0.04440 | 0.30520 | 0.19680 |
3 | 0.54440 | 0.19480 | 0.19680 |
4 | 0.45560 | 0.80520 | 0.69680 |
Set of atoms in the unit cell related by symmetry with the atom N2:
Atom | x | y | z |
1 | 0.09590 | 0.42450 | 0.81880 |
2 | 0.90410 | 0.57550 | 0.31880 |
3 | 0.40410 | 0.92450 | 0.31880 |
4 | 0.59590 | 0.07550 | 0.81880 |
Set of atoms in the unit cell related by symmetry with the atom H6:
Atom | x | y | z |
1 | 0.16080 | 0.46960 | 0.86430 |
2 | 0.83920 | 0.53040 | 0.36430 |
3 | 0.33920 | 0.96960 | 0.36430 |
4 | 0.66080 | 0.03040 | 0.86430 |
Set of atoms in the unit cell related by symmetry with the atom H7:
Atom | x | y | z |
1 | 0.08980 | 0.32950 | 0.82030 |
2 | 0.91020 | 0.67050 | 0.32030 |
3 | 0.41020 | 0.82950 | 0.32030 |
4 | 0.58980 | 0.17050 | 0.82030 |
Set of atoms in the unit cell related by symmetry with the atom N3:
Atom | x | y | z |
1 | 0.90860 | 0.42970 | 0.67530 |
2 | 0.09140 | 0.57030 | 0.17530 |
3 | 0.59140 | 0.92970 | 0.17530 |
4 | 0.40860 | 0.07030 | 0.67530 |
Set of atoms in the unit cell related by symmetry with the atom H8:
Atom | x | y | z |
1 | 0.85080 | 0.47870 | 0.62690 |
2 | 0.14920 | 0.52130 | 0.12690 |
3 | 0.64920 | 0.97870 | 0.12690 |
4 | 0.35080 | 0.02130 | 0.62690 |
Set of atoms in the unit cell related by symmetry with the atom H9:
Atom | x | y | z |
1 | 0.90320 | 0.33470 | 0.67730 |
2 | 0.09680 | 0.66530 | 0.17730 |
3 | 0.59680 | 0.83470 | 0.17730 |
4 | 0.40320 | 0.16530 | 0.67730 |
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