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 | 0.22740 | 0.77021 | 0.34063 | mx,my,mz | -0.24000 | -0.20000 | -0.76000 |
2 | 0.77260 | 0.27021 | 0.15937 | -mx,my,-mz | 0.24000 | -0.20000 | 0.76000 |
3 | 0.77260 | 0.22979 | 0.65937 | mx,my,mz | -0.24000 | -0.20000 | -0.76000 |
4 | 0.22740 | 0.72979 | 0.84063 | -mx,my,-mz | 0.24000 | -0.20000 | 0.76000 |
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5 | 0.72740 | 0.27021 | 0.34063 | -mx,-my,-mz | 0.24000 | 0.20000 | 0.76000 |
6 | 0.27260 | 0.77021 | 0.15937 | mx,-my,mz | -0.24000 | 0.20000 | -0.76000 |
7 | 0.27260 | 0.72979 | 0.65937 | -mx,-my,-mz | 0.24000 | 0.20000 | 0.76000 |
8 | 0.72740 | 0.22979 | 0.84063 | mx,-my,mz | -0.24000 | 0.20000 | -0.76000 |
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 | 0.23559 | 0.22886 | 0.14103 | mx,my,mz | -0.03000 | -0.26000 | -0.43000 |
2 | 0.76441 | 0.72886 | 0.35897 | -mx,my,-mz | 0.03000 | -0.26000 | 0.43000 |
3 | 0.76441 | 0.77114 | 0.85897 | mx,my,mz | -0.03000 | -0.26000 | -0.43000 |
4 | 0.23559 | 0.27114 | 0.64103 | -mx,my,-mz | 0.03000 | -0.26000 | 0.43000 |
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5 | 0.73559 | 0.72886 | 0.14103 | -mx,-my,-mz | 0.03000 | 0.26000 | 0.43000 |
6 | 0.26441 | 0.22886 | 0.35897 | mx,-my,mz | -0.03000 | 0.26000 | -0.43000 |
7 | 0.26441 | 0.27114 | 0.85897 | -mx,-my,-mz | 0.03000 | 0.26000 | 0.43000 |
8 | 0.73559 | 0.77114 | 0.64103 | mx,-my,mz | -0.03000 | 0.26000 | -0.43000 |
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 | 0.66231 | 0.99746 | 0.20169 | mx,my,mz | -0.45000 | 0.00000 | -0.41000 |
2 | 0.33769 | 0.49746 | 0.29831 | -mx,my,-mz | 0.45000 | 0.00000 | 0.41000 |
3 | 0.33769 | 0.00254 | 0.79831 | mx,my,mz | -0.45000 | 0.00000 | -0.41000 |
4 | 0.66231 | 0.50254 | 0.70169 | -mx,my,-mz | 0.45000 | 0.00000 | 0.41000 |
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5 | 0.16231 | 0.49746 | 0.20169 | -mx,-my,-mz | 0.45000 | 0.00000 | 0.41000 |
6 | 0.83769 | 0.99746 | 0.29831 | mx,-my,mz | -0.45000 | 0.00000 | -0.41000 |
7 | 0.83769 | 0.50254 | 0.79831 | -mx,-my,-mz | 0.45000 | 0.00000 | 0.41000 |
8 | 0.16231 | 0.00254 | 0.70169 | mx,-my,mz | -0.45000 | 0.00000 | -0.41000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Na1:
Atom | x | y | z |
1 | 0.57643 | 0.02745 | 0.44987 |
2 | 0.42357 | 0.52745 | 0.05013 |
3 | 0.42357 | 0.97255 | 0.55013 |
4 | 0.57643 | 0.47255 | 0.94987 |
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5 | 0.07643 | 0.52745 | 0.44987 |
6 | 0.92357 | 0.02745 | 0.05013 |
7 | 0.92357 | 0.47255 | 0.55013 |
8 | 0.07643 | 0.97255 | 0.94987 |
Set of atoms in the unit cell related by symmetry with the atom Na2:
Atom | x | y | z |
1 | 0.44742 | 0.00664 | 0.14412 |
2 | 0.55258 | 0.50664 | 0.35588 |
3 | 0.55258 | 0.99336 | 0.85588 |
4 | 0.44742 | 0.49336 | 0.64412 |
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5 | 0.94742 | 0.50664 | 0.14412 |
6 | 0.05258 | 0.00664 | 0.35588 |
7 | 0.05258 | 0.49336 | 0.85588 |
8 | 0.94742 | 0.99336 | 0.64412 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.75000 | 0.14070 | 0.25000 |
2 | 0.25000 | 0.85930 | 0.75000 |
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3 | 0.25000 | 0.64070 | 0.25000 |
4 | 0.75000 | 0.35930 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.69621 | 0.07980 | 0.40845 |
2 | 0.30379 | 0.57980 | 0.09155 |
3 | 0.30379 | 0.92020 | 0.59155 |
4 | 0.69621 | 0.42020 | 0.90845 |
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5 | 0.19621 | 0.57980 | 0.40845 |
6 | 0.80379 | 0.07980 | 0.09155 |
7 | 0.80379 | 0.42020 | 0.59155 |
8 | 0.19621 | 0.92020 | 0.90845 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.81979 | 0.92387 | 0.45829 |
2 | 0.18021 | 0.42387 | 0.04171 |
3 | 0.18021 | 0.07613 | 0.54171 |
4 | 0.81979 | 0.57613 | 0.95829 |
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5 | 0.31979 | 0.42387 | 0.45829 |
6 | 0.68021 | 0.92387 | 0.04171 |
7 | 0.68021 | 0.57613 | 0.54171 |
8 | 0.31979 | 0.07613 | 0.95829 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.71056 | 0.89844 | 0.52811 |
2 | 0.28944 | 0.39844 | 0.97189 |
3 | 0.28944 | 0.10156 | 0.47189 |
4 | 0.71056 | 0.60156 | 0.02811 |
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5 | 0.21056 | 0.39844 | 0.52811 |
6 | 0.78944 | 0.89844 | 0.97189 |
7 | 0.78944 | 0.60156 | 0.47189 |
8 | 0.21056 | 0.10156 | 0.02811 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.34726 | 0.80441 | 0.41646 |
2 | 0.65274 | 0.30441 | 0.08354 |
3 | 0.65274 | 0.19559 | 0.58354 |
4 | 0.34726 | 0.69559 | 0.91646 |
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5 | 0.84726 | 0.30441 | 0.41646 |
6 | 0.15274 | 0.80441 | 0.08354 |
7 | 0.15274 | 0.69559 | 0.58354 |
8 | 0.84726 | 0.19559 | 0.91646 |
Set of atoms in the unit cell related by symmetry with the atom O6:
Atom | x | y | z |
1 | 0.14434 | 0.19072 | 0.31844 |
2 | 0.85566 | 0.69072 | 0.18156 |
3 | 0.85566 | 0.80928 | 0.68156 |
4 | 0.14434 | 0.30928 | 0.81844 |
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5 | 0.64434 | 0.69072 | 0.31844 |
6 | 0.35566 | 0.19072 | 0.18156 |
7 | 0.35566 | 0.30928 | 0.68156 |
8 | 0.64434 | 0.80928 | 0.81844 |
Set of atoms in the unit cell related by symmetry with the atom O8:
Atom | x | y | z |
1 | 0.00932 | 0.13618 | 0.19212 |
2 | 0.99068 | 0.63618 | 0.30788 |
3 | 0.99068 | 0.86382 | 0.80788 |
4 | 0.00932 | 0.36382 | 0.69212 |
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5 | 0.50932 | 0.63618 | 0.19212 |
6 | 0.49068 | 0.13618 | 0.30788 |
7 | 0.49068 | 0.36382 | 0.80788 |
8 | 0.50932 | 0.86382 | 0.69212 |
Set of atoms in the unit cell related by symmetry with the atom O9:
Atom | x | y | z |
1 | 0.80949 | 0.09761 | 0.57348 |
2 | 0.19051 | 0.59761 | 0.92652 |
3 | 0.19051 | 0.90239 | 0.42652 |
4 | 0.80949 | 0.40239 | 0.07348 |
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5 | 0.30949 | 0.59761 | 0.57348 |
6 | 0.69051 | 0.09761 | 0.92652 |
7 | 0.69051 | 0.40239 | 0.42652 |
8 | 0.30949 | 0.90239 | 0.07348 |
Set of atoms in the unit cell related by symmetry with the atom O10:
Atom | x | y | z |
1 | 0.38274 | 0.84045 | 0.26494 |
2 | 0.61726 | 0.34045 | 0.23506 |
3 | 0.61726 | 0.15955 | 0.73506 |
4 | 0.38274 | 0.65955 | 0.76494 |
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5 | 0.88274 | 0.34045 | 0.26494 |
6 | 0.11726 | 0.84045 | 0.23506 |
7 | 0.11726 | 0.65955 | 0.73506 |
8 | 0.88274 | 0.15955 | 0.76494 |
Set of atoms in the unit cell related by symmetry with the atom O11:
Atom | x | y | z |
1 | 0.12824 | 0.15154 | 0.14432 |
2 | 0.87176 | 0.65154 | 0.35568 |
3 | 0.87176 | 0.84846 | 0.85568 |
4 | 0.12824 | 0.34846 | 0.64432 |
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5 | 0.62824 | 0.65154 | 0.14432 |
6 | 0.37176 | 0.15154 | 0.35568 |
7 | 0.37176 | 0.34846 | 0.85568 |
8 | 0.62824 | 0.84846 | 0.64432 |
Set of atoms in the unit cell related by symmetry with the atom O12:
Atom | x | y | z |
1 | 0.75000 | 0.85046 | 0.25000 |
2 | 0.25000 | 0.14954 | 0.75000 |
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3 | 0.25000 | 0.35046 | 0.25000 |
4 | 0.75000 | 0.64954 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom O13:
Atom | x | y | z |
1 | 0.92829 | 0.12542 | 0.36813 |
2 | 0.07171 | 0.62542 | 0.13187 |
3 | 0.07171 | 0.87458 | 0.63187 |
4 | 0.92829 | 0.37458 | 0.86813 |
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5 | 0.42829 | 0.62542 | 0.36813 |
6 | 0.57171 | 0.12542 | 0.13187 |
7 | 0.57171 | 0.37458 | 0.63187 |
8 | 0.42829 | 0.87458 | 0.86813 |
Set of atoms in the unit cell related by symmetry with the atom O14:
Atom | x | y | z |
1 | 0.48655 | 0.85536 | 0.43271 |
2 | 0.51345 | 0.35536 | 0.06729 |
3 | 0.51345 | 0.14464 | 0.56729 |
4 | 0.48655 | 0.64464 | 0.93271 |
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5 | 0.98655 | 0.35536 | 0.43271 |
6 | 0.01345 | 0.85536 | 0.06729 |
7 | 0.01345 | 0.64464 | 0.56729 |
8 | 0.98655 | 0.14464 | 0.93271 |
Set of atoms in the unit cell related by symmetry with the atom S1:
Atom | x | y | z |
1 | 0.76074 | 0.00095 | 0.49084 |
2 | 0.23926 | 0.50095 | 0.00916 |
3 | 0.23926 | 0.99905 | 0.50916 |
4 | 0.76074 | 0.49905 | 0.99084 |
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5 | 0.26074 | 0.50095 | 0.49084 |
6 | 0.73926 | 0.00095 | 0.00916 |
7 | 0.73926 | 0.49905 | 0.50916 |
8 | 0.26074 | 0.99905 | 0.99084 |
Set of atoms in the unit cell related by symmetry with the atom S2:
Atom | x | y | z |
1 | 0.41266 | 0.78545 | 0.36881 |
2 | 0.58734 | 0.28545 | 0.13119 |
3 | 0.58734 | 0.21455 | 0.63119 |
4 | 0.41266 | 0.71455 | 0.86881 |
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5 | 0.91266 | 0.28545 | 0.36881 |
6 | 0.08734 | 0.78545 | 0.13119 |
7 | 0.08734 | 0.71455 | 0.63119 |
8 | 0.91266 | 0.21455 | 0.86881 |
Set of atoms in the unit cell related by symmetry with the atom S3:
Atom | x | y | z |
1 | 0.08644 | 0.21304 | 0.21219 |
2 | 0.91356 | 0.71304 | 0.28781 |
3 | 0.91356 | 0.78696 | 0.78781 |
4 | 0.08644 | 0.28696 | 0.71219 |
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5 | 0.58644 | 0.71304 | 0.21219 |
6 | 0.41356 | 0.21304 | 0.28781 |
7 | 0.41356 | 0.28696 | 0.78781 |
8 | 0.58644 | 0.78696 | 0.71219 |
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