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 | 0.48270 | 0.02050 | 0.34300 | mx,my,mz | -0.40000 | -0.03000 | 0.40000 |
2 | 0.48270 | 0.97950 | 0.84300 | -mx,my,-mz | 0.40000 | -0.03000 | -0.40000 |
3 | 0.51730 | 0.02050 | 0.15700 | mx,-my,mz | -0.40000 | 0.03000 | 0.40000 |
4 | 0.51730 | 0.97950 | 0.65700 | -mx,-my,-mz | 0.40000 | 0.03000 | -0.40000 |
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5 | 0.98270 | 0.52050 | 0.34300 | mx,my,mz | -0.40000 | -0.03000 | 0.40000 |
6 | 0.98270 | 0.47950 | 0.84300 | -mx,my,-mz | 0.40000 | -0.03000 | -0.40000 |
7 | 0.01730 | 0.52050 | 0.15700 | mx,-my,mz | -0.40000 | 0.03000 | 0.40000 |
8 | 0.01730 | 0.47950 | 0.65700 | -mx,-my,-mz | 0.40000 | 0.03000 | -0.40000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.48340 | 0.47240 | 0.13810 | mx,my,mz | -0.09000 | -0.29000 | 0.46000 |
2 | 0.48340 | 0.52760 | 0.63810 | -mx,my,-mz | 0.09000 | -0.29000 | -0.46000 |
3 | 0.51660 | 0.47240 | 0.36190 | mx,-my,mz | -0.09000 | 0.29000 | 0.46000 |
4 | 0.51660 | 0.52760 | 0.86190 | -mx,-my,-mz | 0.09000 | 0.29000 | -0.46000 |
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5 | 0.98340 | 0.97240 | 0.13810 | mx,my,mz | -0.09000 | -0.29000 | 0.46000 |
6 | 0.98340 | 0.02760 | 0.63810 | -mx,my,-mz | 0.09000 | -0.29000 | -0.46000 |
7 | 0.01660 | 0.97240 | 0.36190 | mx,-my,mz | -0.09000 | 0.29000 | 0.46000 |
8 | 0.01660 | 0.02760 | 0.86190 | -mx,-my,-mz | 0.09000 | 0.29000 | -0.46000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Cu3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.41660 | 0.74830 | 0.20430 | mx,my,mz | -0.10000 | 0.00000 | -0.56000 |
2 | 0.41660 | 0.25170 | 0.70430 | -mx,my,-mz | 0.10000 | 0.00000 | 0.56000 |
3 | 0.58340 | 0.74830 | 0.29570 | mx,-my,mz | -0.10000 | 0.00000 | -0.56000 |
4 | 0.58340 | 0.25170 | 0.79570 | -mx,-my,-mz | 0.10000 | 0.00000 | 0.56000 |
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5 | 0.91660 | 0.24830 | 0.20430 | mx,my,mz | -0.10000 | 0.00000 | -0.56000 |
6 | 0.91660 | 0.75170 | 0.70430 | -mx,my,-mz | 0.10000 | 0.00000 | 0.56000 |
7 | 0.08340 | 0.24830 | 0.29570 | mx,-my,mz | -0.10000 | 0.00000 | -0.56000 |
8 | 0.08340 | 0.75170 | 0.79570 | -mx,-my,-mz | 0.10000 | 0.00000 | 0.56000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom K1:
Atom | x | y | z |
1 | 0.32450 | 0.75950 | 0.45730 |
2 | 0.32450 | 0.24050 | 0.95730 |
3 | 0.67550 | 0.75950 | 0.04270 |
4 | 0.67550 | 0.24050 | 0.54270 |
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5 | 0.82450 | 0.25950 | 0.45730 |
6 | 0.82450 | 0.74050 | 0.95730 |
7 | 0.17550 | 0.25950 | 0.04270 |
8 | 0.17550 | 0.74050 | 0.54270 |
Set of atoms in the unit cell related by symmetry with the atom Na1:
Atom | x | y | z |
1 | 0.19380 | 0.73990 | 0.12720 |
2 | 0.19380 | 0.26010 | 0.62720 |
3 | 0.80620 | 0.73990 | 0.37280 |
4 | 0.80620 | 0.26010 | 0.87280 |
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5 | 0.69380 | 0.23990 | 0.12720 |
6 | 0.69380 | 0.76010 | 0.62720 |
7 | 0.30620 | 0.23990 | 0.37280 |
8 | 0.30620 | 0.76010 | 0.87280 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.50000 | 0.89070 | 0.25000 |
2 | 0.50000 | 0.10930 | 0.75000 |
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3 | 0.00000 | 0.39070 | 0.25000 |
4 | 0.00000 | 0.60930 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.43820 | 0.82720 | 0.39630 |
2 | 0.43820 | 0.17280 | 0.89630 |
3 | 0.56180 | 0.82720 | 0.10370 |
4 | 0.56180 | 0.17280 | 0.60370 |
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5 | 0.93820 | 0.32720 | 0.39630 |
6 | 0.93820 | 0.67280 | 0.89630 |
7 | 0.06180 | 0.32720 | 0.10370 |
8 | 0.06180 | 0.67280 | 0.60370 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.55770 | 0.67270 | 0.45920 |
2 | 0.55770 | 0.32730 | 0.95920 |
3 | 0.44230 | 0.67270 | 0.04080 |
4 | 0.44230 | 0.32730 | 0.54080 |
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5 | 0.05770 | 0.17270 | 0.45920 |
6 | 0.05770 | 0.82730 | 0.95920 |
7 | 0.94230 | 0.17270 | 0.04080 |
8 | 0.94230 | 0.82730 | 0.54080 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.45460 | 0.65150 | 0.51860 |
2 | 0.45460 | 0.34850 | 0.01860 |
3 | 0.54540 | 0.65150 | 0.98140 |
4 | 0.54540 | 0.34850 | 0.48140 |
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5 | 0.95460 | 0.15150 | 0.51860 |
6 | 0.95460 | 0.84850 | 0.01860 |
7 | 0.04540 | 0.15150 | 0.98140 |
8 | 0.04540 | 0.84850 | 0.48140 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.59610 | 0.05960 | 0.41440 |
2 | 0.59610 | 0.94040 | 0.91440 |
3 | 0.40390 | 0.05960 | 0.08560 |
4 | 0.40390 | 0.94040 | 0.58560 |
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5 | 0.09610 | 0.55960 | 0.41440 |
6 | 0.09610 | 0.44040 | 0.91440 |
7 | 0.90390 | 0.55960 | 0.08560 |
8 | 0.90390 | 0.44040 | 0.58560 |
Set of atoms in the unit cell related by symmetry with the atom O6:
Atom | x | y | z |
1 | 0.40110 | 0.43600 | 0.31440 |
2 | 0.40110 | 0.56400 | 0.81440 |
3 | 0.59890 | 0.43600 | 0.18560 |
4 | 0.59890 | 0.56400 | 0.68560 |
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5 | 0.90110 | 0.93600 | 0.31440 |
6 | 0.90110 | 0.06400 | 0.81440 |
7 | 0.09890 | 0.93600 | 0.18560 |
8 | 0.09890 | 0.06400 | 0.68560 |
Set of atoms in the unit cell related by symmetry with the atom O7:
Atom | x | y | z |
1 | 0.33140 | 0.60870 | 0.18640 |
2 | 0.33140 | 0.39130 | 0.68640 |
3 | 0.66860 | 0.60870 | 0.31360 |
4 | 0.66860 | 0.39130 | 0.81360 |
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5 | 0.83140 | 0.10870 | 0.18640 |
6 | 0.83140 | 0.89130 | 0.68640 |
7 | 0.16860 | 0.10870 | 0.31360 |
8 | 0.16860 | 0.89130 | 0.81360 |
Set of atoms in the unit cell related by symmetry with the atom O8:
Atom | x | y | z |
1 | 0.27180 | 0.38690 | 0.18720 |
2 | 0.27180 | 0.61310 | 0.68720 |
3 | 0.72820 | 0.38690 | 0.31280 |
4 | 0.72820 | 0.61310 | 0.81280 |
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5 | 0.77180 | 0.88690 | 0.18720 |
6 | 0.77180 | 0.11310 | 0.68720 |
7 | 0.22820 | 0.88690 | 0.31280 |
8 | 0.22820 | 0.11310 | 0.81280 |
Set of atoms in the unit cell related by symmetry with the atom O9:
Atom | x | y | z |
1 | 0.54130 | 0.85580 | 0.56560 |
2 | 0.54130 | 0.14420 | 0.06560 |
3 | 0.45870 | 0.85580 | 0.93440 |
4 | 0.45870 | 0.14420 | 0.43440 |
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5 | 0.04130 | 0.35580 | 0.56560 |
6 | 0.04130 | 0.64420 | 0.06560 |
7 | 0.95870 | 0.35580 | 0.93440 |
8 | 0.95870 | 0.64420 | 0.43440 |
Set of atoms in the unit cell related by symmetry with the atom O10:
Atom | x | y | z |
1 | 0.62280 | 0.08260 | 0.26080 |
2 | 0.62280 | 0.91740 | 0.76080 |
3 | 0.37720 | 0.08260 | 0.23920 |
4 | 0.37720 | 0.91740 | 0.73920 |
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5 | 0.12280 | 0.58260 | 0.26080 |
6 | 0.12280 | 0.41740 | 0.76080 |
7 | 0.87720 | 0.58260 | 0.23920 |
8 | 0.87720 | 0.41740 | 0.73920 |
Set of atoms in the unit cell related by symmetry with the atom O11:
Atom | x | y | z |
1 | 0.38070 | 0.39860 | 0.13720 |
2 | 0.38070 | 0.60140 | 0.63720 |
3 | 0.61930 | 0.39860 | 0.36280 |
4 | 0.61930 | 0.60140 | 0.86280 |
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5 | 0.88070 | 0.89860 | 0.13720 |
6 | 0.88070 | 0.10140 | 0.63720 |
7 | 0.11930 | 0.89860 | 0.36280 |
8 | 0.11930 | 0.10140 | 0.86280 |
Set of atoms in the unit cell related by symmetry with the atom O12:
Atom | x | y | z |
1 | 0.50000 | 0.59920 | 0.25000 |
2 | 0.50000 | 0.40080 | 0.75000 |
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3 | 0.00000 | 0.09920 | 0.25000 |
4 | 0.00000 | 0.90080 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O13:
Atom | x | y | z |
1 | 0.66980 | 0.87550 | 0.37270 |
2 | 0.66980 | 0.12450 | 0.87270 |
3 | 0.33020 | 0.87550 | 0.12730 |
4 | 0.33020 | 0.12450 | 0.62730 |
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5 | 0.16980 | 0.37550 | 0.37270 |
6 | 0.16980 | 0.62450 | 0.87270 |
7 | 0.83020 | 0.37550 | 0.12730 |
8 | 0.83020 | 0.62450 | 0.62730 |
Set of atoms in the unit cell related by symmetry with the atom O14:
Atom | x | y | z |
1 | 0.72850 | 0.10050 | 0.43060 |
2 | 0.72850 | 0.89950 | 0.93060 |
3 | 0.27150 | 0.10050 | 0.06940 |
4 | 0.27150 | 0.89950 | 0.56940 |
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5 | 0.22850 | 0.60050 | 0.43060 |
6 | 0.22850 | 0.39950 | 0.93060 |
7 | 0.77150 | 0.60050 | 0.06940 |
8 | 0.77150 | 0.39950 | 0.56940 |
Set of atoms in the unit cell related by symmetry with the atom S1:
Atom | x | y | z |
1 | 0.49570 | 0.75140 | 0.48730 |
2 | 0.49570 | 0.24860 | 0.98730 |
3 | 0.50430 | 0.75140 | 0.01270 |
4 | 0.50430 | 0.24860 | 0.51270 |
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5 | 0.99570 | 0.25140 | 0.48730 |
6 | 0.99570 | 0.74860 | 0.98730 |
7 | 0.00430 | 0.25140 | 0.01270 |
8 | 0.00430 | 0.74860 | 0.51270 |
Set of atoms in the unit cell related by symmetry with the atom S2:
Atom | x | y | z |
1 | 0.65670 | 0.03450 | 0.37710 |
2 | 0.65670 | 0.96550 | 0.87710 |
3 | 0.34330 | 0.03450 | 0.12290 |
4 | 0.34330 | 0.96550 | 0.62290 |
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5 | 0.15670 | 0.53450 | 0.37710 |
6 | 0.15670 | 0.46550 | 0.87710 |
7 | 0.84330 | 0.53450 | 0.12290 |
8 | 0.84330 | 0.46550 | 0.62290 |
Set of atoms in the unit cell related by symmetry with the atom S3:
Atom | x | y | z |
1 | 0.34860 | 0.44310 | 0.21260 |
2 | 0.34860 | 0.55690 | 0.71260 |
3 | 0.65140 | 0.44310 | 0.28740 |
4 | 0.65140 | 0.55690 | 0.78740 |
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5 | 0.84860 | 0.94310 | 0.21260 |
6 | 0.84860 | 0.05690 | 0.71260 |
7 | 0.15140 | 0.94310 | 0.28740 |
8 | 0.15140 | 0.05690 | 0.78740 |
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