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_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.16540 | 0.00000 | 0.00600 | mx,my,mz | -1.88000 | 0.00000 | -1.64000 |
2 | 0.66540 | 0.50000 | 0.24400 | mx,-my,-mz | -1.88000 | 0.00000 | 1.64000 |
3 | 0.16540 | 0.50000 | 0.00600 | -mx,my,-mz | 1.88000 | 0.00000 | 1.64000 |
4 | 0.66540 | 0.00000 | 0.24400 | -mx,-my,mz | 1.88000 | 0.00000 | -1.64000 |
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5 | 0.16540 | 0.00000 | 0.50600 | -mx,-my,-mz | 1.88000 | 0.00000 | 1.64000 |
6 | 0.66540 | 0.50000 | 0.74400 | -mx,my,mz | 1.88000 | 0.00000 | -1.64000 |
7 | 0.16540 | 0.50000 | 0.50600 | mx,-my,mz | -1.88000 | 0.00000 | -1.64000 |
8 | 0.66540 | 0.00000 | 0.74400 | mx,my,-mz | -1.88000 | 0.00000 | 1.64000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.33460 | 0.00000 | 0.25600 | mx,my,mz | -1.88000 | 0.00000 | 1.64000 |
2 | 0.83460 | 0.50000 | 0.99400 | mx,-my,-mz | -1.88000 | 0.00000 | -1.64000 |
3 | 0.33460 | 0.50000 | 0.25600 | -mx,my,-mz | 1.88000 | 0.00000 | -1.64000 |
4 | 0.83460 | 0.00000 | 0.99400 | -mx,-my,mz | 1.88000 | 0.00000 | 1.64000 |
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5 | 0.33460 | 0.00000 | 0.75600 | -mx,-my,-mz | 1.88000 | 0.00000 | -1.64000 |
6 | 0.83460 | 0.50000 | 0.49400 | -mx,my,mz | 1.88000 | 0.00000 | 1.64000 |
7 | 0.33460 | 0.50000 | 0.75600 | mx,-my,mz | -1.88000 | 0.00000 | 1.64000 |
8 | 0.83460 | 0.00000 | 0.49400 | mx,my,-mz | -1.88000 | 0.00000 | -1.64000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.25000 | mx,my,mz | 2.27000 | 0.00000 | 0.60000 |
2 | 0.50000 | 0.50000 | 0.00000 | mx,-my,-mz | 2.27000 | 0.00000 | -0.60000 |
3 | 0.00000 | 0.50000 | 0.25000 | -mx,my,-mz | -2.27000 | 0.00000 | -0.60000 |
4 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,mz | -2.27000 | 0.00000 | 0.60000 |
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5 | 0.00000 | 0.00000 | 0.75000 | -mx,-my,-mz | -2.27000 | 0.00000 | -0.60000 |
6 | 0.50000 | 0.50000 | 0.50000 | -mx,my,mz | -2.27000 | 0.00000 | 0.60000 |
7 | 0.00000 | 0.50000 | 0.75000 | mx,-my,mz | 2.27000 | 0.00000 | 0.60000 |
8 | 0.50000 | 0.00000 | 0.50000 | mx,my,-mz | 2.27000 | 0.00000 | -0.60000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom La1_1:
Atom | x | y | z |
1 | 0.01000 | 0.25000 | 0.49975 |
2 | 0.51000 | 0.25000 | 0.75025 |
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3 | 0.01000 | 0.25000 | 0.99975 |
4 | 0.51000 | 0.25000 | 0.25025 |
Set of atoms in the unit cell related by symmetry with the atom La1_2:
Atom | x | y | z |
1 | 0.49000 | 0.75000 | 0.74975 |
2 | 0.99000 | 0.75000 | 0.50025 |
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3 | 0.49000 | 0.75000 | 0.24975 |
4 | 0.99000 | 0.75000 | 0.00025 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_1:
Atom | x | y | z |
1 | 0.01000 | 0.25000 | 0.49975 |
2 | 0.51000 | 0.25000 | 0.75025 |
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3 | 0.01000 | 0.25000 | 0.99975 |
4 | 0.51000 | 0.25000 | 0.25025 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_2:
Atom | x | y | z |
1 | 0.49000 | 0.75000 | 0.74975 |
2 | 0.99000 | 0.75000 | 0.50025 |
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3 | 0.49000 | 0.75000 | 0.24975 |
4 | 0.99000 | 0.75000 | 0.00025 |
Set of atoms in the unit cell related by symmetry with the atom La2_1:
Atom | x | y | z |
1 | 0.34050 | 0.25000 | 0.00765 |
2 | 0.84050 | 0.25000 | 0.24235 |
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3 | 0.34050 | 0.25000 | 0.50765 |
4 | 0.84050 | 0.25000 | 0.74235 |
Set of atoms in the unit cell related by symmetry with the atom La2_2:
Atom | x | y | z |
1 | 0.15950 | 0.75000 | 0.25765 |
2 | 0.65950 | 0.75000 | 0.99235 |
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3 | 0.15950 | 0.75000 | 0.75765 |
4 | 0.65950 | 0.75000 | 0.49235 |
Set of atoms in the unit cell related by symmetry with the atom Ca2_1:
Atom | x | y | z |
1 | 0.34050 | 0.25000 | 0.00765 |
2 | 0.84050 | 0.25000 | 0.24235 |
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3 | 0.34050 | 0.25000 | 0.50765 |
4 | 0.84050 | 0.25000 | 0.74235 |
Set of atoms in the unit cell related by symmetry with the atom Ca2_2:
Atom | x | y | z |
1 | 0.15950 | 0.75000 | 0.25765 |
2 | 0.65950 | 0.75000 | 0.99235 |
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3 | 0.15950 | 0.75000 | 0.75765 |
4 | 0.65950 | 0.75000 | 0.49235 |
Set of atoms in the unit cell related by symmetry with the atom La3_1:
Atom | x | y | z |
1 | 0.67240 | 0.25000 | 0.48800 |
2 | 0.17240 | 0.25000 | 0.76200 |
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3 | 0.67240 | 0.25000 | 0.98800 |
4 | 0.17240 | 0.25000 | 0.26200 |
Set of atoms in the unit cell related by symmetry with the atom La3_2:
Atom | x | y | z |
1 | 0.82760 | 0.75000 | 0.73800 |
2 | 0.32760 | 0.75000 | 0.51200 |
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3 | 0.82760 | 0.75000 | 0.23800 |
4 | 0.32760 | 0.75000 | 0.01200 |
Set of atoms in the unit cell related by symmetry with the atom Ca3_1:
Atom | x | y | z |
1 | 0.67240 | 0.25000 | 0.48800 |
2 | 0.17240 | 0.25000 | 0.76200 |
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3 | 0.67240 | 0.25000 | 0.98800 |
4 | 0.17240 | 0.25000 | 0.26200 |
Set of atoms in the unit cell related by symmetry with the atom Ca3_2:
Atom | x | y | z |
1 | 0.82760 | 0.75000 | 0.73800 |
2 | 0.32760 | 0.75000 | 0.51200 |
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3 | 0.82760 | 0.75000 | 0.23800 |
4 | 0.32760 | 0.75000 | 0.01200 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.16370 | 0.25000 | 0.03950 |
2 | 0.66370 | 0.25000 | 0.21050 |
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3 | 0.16370 | 0.25000 | 0.53950 |
4 | 0.66370 | 0.25000 | 0.71050 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.33630 | 0.75000 | 0.28950 |
2 | 0.83630 | 0.75000 | 0.96050 |
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3 | 0.33630 | 0.75000 | 0.78950 |
4 | 0.83630 | 0.75000 | 0.46050 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.50120 | 0.25000 | 0.03100 |
2 | 0.00120 | 0.25000 | 0.21900 |
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3 | 0.50120 | 0.25000 | 0.53100 |
4 | 0.00120 | 0.25000 | 0.71900 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.99880 | 0.75000 | 0.28100 |
2 | 0.49880 | 0.75000 | 0.96900 |
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3 | 0.99880 | 0.75000 | 0.78100 |
4 | 0.49880 | 0.75000 | 0.46900 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.82680 | 0.25000 | 0.02350 |
2 | 0.32680 | 0.25000 | 0.22650 |
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3 | 0.82680 | 0.25000 | 0.52350 |
4 | 0.32680 | 0.25000 | 0.72650 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.67320 | 0.75000 | 0.27350 |
2 | 0.17320 | 0.75000 | 0.97650 |
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3 | 0.67320 | 0.75000 | 0.77350 |
4 | 0.17320 | 0.75000 | 0.47650 |
Set of atoms in the unit cell related by symmetry with the atom O4_1:
Atom | x | y | z |
1 | 0.09380 | 0.02930 | 0.37205 |
2 | 0.59380 | 0.47070 | 0.87795 |
3 | 0.09380 | 0.47070 | 0.37205 |
4 | 0.59380 | 0.02930 | 0.87795 |
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5 | 0.09380 | 0.02930 | 0.87205 |
6 | 0.59380 | 0.47070 | 0.37795 |
7 | 0.09380 | 0.47070 | 0.87205 |
8 | 0.59380 | 0.02930 | 0.37795 |
Set of atoms in the unit cell related by symmetry with the atom O4_2:
Atom | x | y | z |
1 | 0.40620 | 0.97070 | 0.62205 |
2 | 0.90620 | 0.52930 | 0.62795 |
3 | 0.40620 | 0.52930 | 0.62205 |
4 | 0.90620 | 0.97070 | 0.62795 |
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5 | 0.40620 | 0.97070 | 0.12205 |
6 | 0.90620 | 0.52930 | 0.12795 |
7 | 0.40620 | 0.52930 | 0.12205 |
8 | 0.90620 | 0.97070 | 0.12795 |
Set of atoms in the unit cell related by symmetry with the atom O5_1:
Atom | x | y | z |
1 | 0.07590 | 0.96420 | 0.11635 |
2 | 0.57590 | 0.53580 | 0.13365 |
3 | 0.07590 | 0.53580 | 0.11635 |
4 | 0.57590 | 0.96420 | 0.13365 |
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5 | 0.07590 | 0.96420 | 0.61635 |
6 | 0.57590 | 0.53580 | 0.63365 |
7 | 0.07590 | 0.53580 | 0.61635 |
8 | 0.57590 | 0.96420 | 0.63365 |
Set of atoms in the unit cell related by symmetry with the atom O5_2:
Atom | x | y | z |
1 | 0.42410 | 0.03580 | 0.36635 |
2 | 0.92410 | 0.46420 | 0.88365 |
3 | 0.42410 | 0.46420 | 0.36635 |
4 | 0.92410 | 0.03580 | 0.88365 |
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5 | 0.42410 | 0.03580 | 0.86635 |
6 | 0.92410 | 0.46420 | 0.38365 |
7 | 0.42410 | 0.46420 | 0.86635 |
8 | 0.92410 | 0.03580 | 0.38365 |
Set of atoms in the unit cell related by symmetry with the atom O6_1:
Atom | x | y | z |
1 | 0.24120 | 0.96740 | 0.15165 |
2 | 0.74120 | 0.53260 | 0.09835 |
3 | 0.24120 | 0.53260 | 0.15165 |
4 | 0.74120 | 0.96740 | 0.09835 |
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5 | 0.24120 | 0.96740 | 0.65165 |
6 | 0.74120 | 0.53260 | 0.59835 |
7 | 0.24120 | 0.53260 | 0.65165 |
8 | 0.74120 | 0.96740 | 0.59835 |
Set of atoms in the unit cell related by symmetry with the atom O6_2:
Atom | x | y | z |
1 | 0.25880 | 0.03260 | 0.40165 |
2 | 0.75880 | 0.46740 | 0.84835 |
3 | 0.25880 | 0.46740 | 0.40165 |
4 | 0.75880 | 0.03260 | 0.84835 |
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5 | 0.25880 | 0.03260 | 0.90165 |
6 | 0.75880 | 0.46740 | 0.34835 |
7 | 0.25880 | 0.46740 | 0.90165 |
8 | 0.75880 | 0.03260 | 0.34835 |
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