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 | 0.26797 | 0.98806 | 0.20210 | mx,my,mz | 0.56000 | 0.03000 | -0.57000 |
2 | 0.51194 | 0.76797 | 0.70210 | -my,mx,mz | -0.03000 | 0.56000 | -0.57000 |
3 | 0.48806 | 0.23203 | 0.70210 | my,-mx,mz | 0.03000 | -0.56000 | -0.57000 |
4 | 0.76797 | 0.51194 | 0.29790 | mx,-my,-mz | 0.56000 | -0.03000 | 0.57000 |
5 | 0.23203 | 0.48806 | 0.29790 | -mx,my,-mz | -0.56000 | 0.03000 | 0.57000 |
6 | 0.73203 | 0.01194 | 0.20210 | -mx,-my,mz | -0.56000 | -0.03000 | -0.57000 |
7 | 0.98806 | 0.26797 | 0.79790 | my,mx,-mz | 0.03000 | 0.56000 | 0.57000 |
8 | 0.01194 | 0.73203 | 0.79790 | -my,-mx,-mz | -0.03000 | -0.56000 | 0.57000 |
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9 | 0.26797 | 0.98806 | 0.70210 | -mx,-my,-mz | -0.56000 | -0.03000 | 0.57000 |
10 | 0.51194 | 0.76797 | 0.20210 | my,-mx,-mz | 0.03000 | -0.56000 | 0.57000 |
11 | 0.48806 | 0.23203 | 0.20210 | -my,mx,-mz | -0.03000 | 0.56000 | 0.57000 |
12 | 0.76797 | 0.51194 | 0.79790 | -mx,my,mz | -0.56000 | 0.03000 | -0.57000 |
13 | 0.23203 | 0.48806 | 0.79790 | mx,-my,mz | 0.56000 | -0.03000 | -0.57000 |
14 | 0.73203 | 0.01194 | 0.70210 | mx,my,-mz | 0.56000 | 0.03000 | 0.57000 |
15 | 0.98806 | 0.26797 | 0.29790 | -my,-mx,mz | -0.03000 | -0.56000 | -0.57000 |
16 | 0.01194 | 0.73203 | 0.29790 | my,mx,mz | 0.03000 | 0.56000 | -0.57000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.50000 | 0.50000 | 0.50000 |
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3 | 0.00000 | 0.00000 | 0.50000 |
4 | 0.50000 | 0.50000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom Ti1:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.01020 |
2 | 0.50000 | 0.00000 | 0.48980 |
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3 | 0.00000 | 0.50000 | 0.51020 |
4 | 0.50000 | 0.00000 | 0.98980 |
Set of atoms in the unit cell related by symmetry with the atom P1:
Atom | x | y | z |
1 | 0.28150 | 0.19210 | 0.36990 |
2 | 0.30790 | 0.78150 | 0.86990 |
3 | 0.69210 | 0.21850 | 0.86990 |
4 | 0.78150 | 0.30790 | 0.13010 |
5 | 0.21850 | 0.69210 | 0.13010 |
6 | 0.71850 | 0.80790 | 0.36990 |
7 | 0.19210 | 0.28150 | 0.63010 |
8 | 0.80790 | 0.71850 | 0.63010 |
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9 | 0.28150 | 0.19210 | 0.86990 |
10 | 0.30790 | 0.78150 | 0.36990 |
11 | 0.69210 | 0.21850 | 0.36990 |
12 | 0.78150 | 0.30790 | 0.63010 |
13 | 0.21850 | 0.69210 | 0.63010 |
14 | 0.71850 | 0.80790 | 0.86990 |
15 | 0.19210 | 0.28150 | 0.13010 |
16 | 0.80790 | 0.71850 | 0.13010 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.34930 | 0.13510 | 0.27830 |
2 | 0.36490 | 0.84930 | 0.77830 |
3 | 0.63510 | 0.15070 | 0.77830 |
4 | 0.84930 | 0.36490 | 0.22170 |
5 | 0.15070 | 0.63510 | 0.22170 |
6 | 0.65070 | 0.86490 | 0.27830 |
7 | 0.13510 | 0.34930 | 0.72170 |
8 | 0.86490 | 0.65070 | 0.72170 |
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9 | 0.34930 | 0.13510 | 0.77830 |
10 | 0.36490 | 0.84930 | 0.27830 |
11 | 0.63510 | 0.15070 | 0.27830 |
12 | 0.84930 | 0.36490 | 0.72170 |
13 | 0.15070 | 0.63510 | 0.72170 |
14 | 0.65070 | 0.86490 | 0.77830 |
15 | 0.13510 | 0.34930 | 0.22170 |
16 | 0.86490 | 0.65070 | 0.22170 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.12470 | 0.16210 | 0.36585 |
2 | 0.33790 | 0.62470 | 0.86585 |
3 | 0.66210 | 0.37530 | 0.86585 |
4 | 0.62470 | 0.33790 | 0.13415 |
5 | 0.37530 | 0.66210 | 0.13415 |
6 | 0.87530 | 0.83790 | 0.36585 |
7 | 0.16210 | 0.12470 | 0.63415 |
8 | 0.83790 | 0.87530 | 0.63415 |
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9 | 0.12470 | 0.16210 | 0.86585 |
10 | 0.33790 | 0.62470 | 0.36585 |
11 | 0.66210 | 0.37530 | 0.36585 |
12 | 0.62470 | 0.33790 | 0.63415 |
13 | 0.37530 | 0.66210 | 0.63415 |
14 | 0.87530 | 0.83790 | 0.86585 |
15 | 0.16210 | 0.12470 | 0.13415 |
16 | 0.83790 | 0.87530 | 0.13415 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.33740 | 0.11160 | 0.45480 |
2 | 0.38840 | 0.83740 | 0.95480 |
3 | 0.61160 | 0.16260 | 0.95480 |
4 | 0.83740 | 0.38840 | 0.04520 |
5 | 0.16260 | 0.61160 | 0.04520 |
6 | 0.66260 | 0.88840 | 0.45480 |
7 | 0.11160 | 0.33740 | 0.54520 |
8 | 0.88840 | 0.66260 | 0.54520 |
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9 | 0.33740 | 0.11160 | 0.95480 |
10 | 0.38840 | 0.83740 | 0.45480 |
11 | 0.61160 | 0.16260 | 0.45480 |
12 | 0.83740 | 0.38840 | 0.54520 |
13 | 0.16260 | 0.61160 | 0.54520 |
14 | 0.66260 | 0.88840 | 0.95480 |
15 | 0.11160 | 0.33740 | 0.04520 |
16 | 0.88840 | 0.66260 | 0.04520 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.00000 | 0.50000 | 0.39145 |
2 | 0.50000 | 0.00000 | 0.10855 |
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3 | 0.00000 | 0.50000 | 0.89145 |
4 | 0.50000 | 0.00000 | 0.60855 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.31730 | 0.34730 | 0.37655 |
2 | 0.15270 | 0.81730 | 0.87655 |
3 | 0.84730 | 0.18270 | 0.87655 |
4 | 0.81730 | 0.15270 | 0.12345 |
5 | 0.18270 | 0.84730 | 0.12345 |
6 | 0.68270 | 0.65270 | 0.37655 |
7 | 0.34730 | 0.31730 | 0.62345 |
8 | 0.65270 | 0.68270 | 0.62345 |
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9 | 0.31730 | 0.34730 | 0.87655 |
10 | 0.15270 | 0.81730 | 0.37655 |
11 | 0.84730 | 0.18270 | 0.37655 |
12 | 0.81730 | 0.15270 | 0.62345 |
13 | 0.18270 | 0.84730 | 0.62345 |
14 | 0.68270 | 0.65270 | 0.87655 |
15 | 0.34730 | 0.31730 | 0.12345 |
16 | 0.65270 | 0.68270 | 0.12345 |
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