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:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.50000 | mx,my,mz | 0.00000 | 0.00000 | 4.42000 |
2 | 0.50000 | 0.50000 | 0.50000 | mx,-my,-mz | 0.00000 | 0.00000 | -4.42000 |
3 | 0.00000 | 0.50000 | 0.00000 | -mx,my,-mz | 0.00000 | 0.00000 | -4.42000 |
4 | 0.50000 | 0.00000 | 0.00000 | -mx,-my,mz | 0.00000 | 0.00000 | 4.42000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.11940 | 0.57380 | 0.88961 |
2 | 0.61940 | 0.92620 | 0.11039 |
3 | 0.88060 | 0.07380 | 0.61039 |
4 | 0.38060 | 0.42620 | 0.38961 |
5 | 0.88060 | 0.42620 | 0.11039 |
6 | 0.38060 | 0.07380 | 0.88961 |
7 | 0.11940 | 0.92620 | 0.38961 |
8 | 0.61940 | 0.57380 | 0.61039 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.06260 | 0.70180 | 0.05468 |
2 | 0.56260 | 0.79820 | 0.94532 |
3 | 0.93740 | 0.20180 | 0.44532 |
4 | 0.43740 | 0.29820 | 0.55468 |
5 | 0.93740 | 0.29820 | 0.94532 |
6 | 0.43740 | 0.20180 | 0.05468 |
7 | 0.06260 | 0.79820 | 0.55468 |
8 | 0.56260 | 0.70180 | 0.44532 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.29230 | 0.49599 | 0.20290 |
2 | 0.79230 | 0.00401 | 0.79710 |
3 | 0.70770 | 0.99599 | 0.29710 |
4 | 0.20770 | 0.50401 | 0.70290 |
5 | 0.70770 | 0.50401 | 0.79710 |
6 | 0.20770 | 0.99599 | 0.20290 |
7 | 0.29230 | 0.00401 | 0.70290 |
8 | 0.79230 | 0.49599 | 0.29710 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.20280 | 0.76160 | 0.30053 |
2 | 0.70280 | 0.73840 | 0.69947 |
3 | 0.79720 | 0.26160 | 0.19947 |
4 | 0.29720 | 0.23840 | 0.80053 |
5 | 0.79720 | 0.23840 | 0.69947 |
6 | 0.29720 | 0.26160 | 0.30053 |
7 | 0.20280 | 0.73840 | 0.80053 |
8 | 0.70280 | 0.76160 | 0.19947 |
Set of atoms in the unit cell related by symmetry with the atom O5:
Atom | x | y | z |
1 | 0.71600 | 0.59170 | 0.95555 |
2 | 0.21600 | 0.90830 | 0.04445 |
3 | 0.28400 | 0.09170 | 0.54445 |
4 | 0.78400 | 0.40830 | 0.45555 |
5 | 0.28400 | 0.40830 | 0.04445 |
6 | 0.78400 | 0.09170 | 0.95555 |
7 | 0.71600 | 0.90830 | 0.45555 |
8 | 0.21600 | 0.59170 | 0.54445 |
Set of atoms in the unit cell related by symmetry with the atom C1:
Atom | x | y | z |
1 | 0.13760 | 0.79870 | 0.36771 |
2 | 0.63760 | 0.70130 | 0.63229 |
3 | 0.86240 | 0.29870 | 0.13229 |
4 | 0.36240 | 0.20130 | 0.86771 |
5 | 0.86240 | 0.20130 | 0.63229 |
6 | 0.36240 | 0.29870 | 0.36771 |
7 | 0.13760 | 0.70130 | 0.86771 |
8 | 0.63760 | 0.79870 | 0.13229 |
Set of atoms in the unit cell related by symmetry with the atom C2:
Atom | x | y | z |
1 | 0.07090 | 0.81920 | 0.92460 |
2 | 0.57090 | 0.68080 | 0.07540 |
3 | 0.92910 | 0.31920 | 0.57540 |
4 | 0.42910 | 0.18080 | 0.42460 |
5 | 0.92910 | 0.18080 | 0.07540 |
6 | 0.42910 | 0.31920 | 0.92460 |
7 | 0.07090 | 0.68080 | 0.42460 |
8 | 0.57090 | 0.81920 | 0.57540 |
Set of atoms in the unit cell related by symmetry with the atom H1:
Atom | x | y | z |
1 | 0.38400 | 0.44500 | 0.17120 |
2 | 0.88400 | 0.05500 | 0.82880 |
3 | 0.61600 | 0.94500 | 0.32880 |
4 | 0.11600 | 0.55500 | 0.67120 |
5 | 0.61600 | 0.55500 | 0.82880 |
6 | 0.11600 | 0.94500 | 0.17120 |
7 | 0.38400 | 0.05500 | 0.67120 |
8 | 0.88400 | 0.44500 | 0.32880 |
Set of atoms in the unit cell related by symmetry with the atom H2:
Atom | x | y | z |
1 | 0.26400 | 0.42430 | 0.24130 |
2 | 0.76400 | 0.07570 | 0.75870 |
3 | 0.73600 | 0.92430 | 0.25870 |
4 | 0.23600 | 0.57570 | 0.74130 |
5 | 0.73600 | 0.57570 | 0.75870 |
6 | 0.23600 | 0.92430 | 0.24130 |
7 | 0.26400 | 0.07570 | 0.74130 |
8 | 0.76400 | 0.42430 | 0.25870 |
Set of atoms in the unit cell related by symmetry with the atom C3:
Atom | x | y | z |
1 | 0.12130 | 0.80690 | 0.01260 |
2 | 0.62130 | 0.69310 | 0.98740 |
3 | 0.87870 | 0.30690 | 0.48740 |
4 | 0.37870 | 0.19310 | 0.51260 |
5 | 0.87870 | 0.19310 | 0.98740 |
6 | 0.37870 | 0.30690 | 0.01260 |
7 | 0.12130 | 0.69310 | 0.51260 |
8 | 0.62130 | 0.80690 | 0.48740 |
Set of atoms in the unit cell related by symmetry with the atom Na1:
Atom | x | y | z |
1 | 0.99830 | 0.62352 | 0.20419 |
2 | 0.49830 | 0.87648 | 0.79581 |
3 | 0.00170 | 0.12352 | 0.29581 |
4 | 0.50170 | 0.37648 | 0.70419 |
5 | 0.00170 | 0.37648 | 0.79581 |
6 | 0.50170 | 0.12352 | 0.20419 |
7 | 0.99830 | 0.87648 | 0.70419 |
8 | 0.49830 | 0.62352 | 0.29581 |
Set of atoms in the unit cell related by symmetry with the atom H3:
Atom | x | y | z |
1 | 0.13100 | 0.89730 | 0.90220 |
2 | 0.63100 | 0.60270 | 0.09780 |
3 | 0.86900 | 0.39730 | 0.59780 |
4 | 0.36900 | 0.10270 | 0.40220 |
5 | 0.86900 | 0.10270 | 0.09780 |
6 | 0.36900 | 0.39730 | 0.90220 |
7 | 0.13100 | 0.60270 | 0.40220 |
8 | 0.63100 | 0.89730 | 0.59780 |
Set of atoms in the unit cell related by symmetry with the atom H4:
Atom | x | y | z |
1 | 0.56390 | 0.31100 | 0.91450 |
2 | 0.06390 | 0.18900 | 0.08550 |
3 | 0.43610 | 0.81100 | 0.58550 |
4 | 0.93610 | 0.68900 | 0.41450 |
5 | 0.43610 | 0.68900 | 0.08550 |
6 | 0.93610 | 0.81100 | 0.91450 |
7 | 0.56390 | 0.18900 | 0.41450 |
8 | 0.06390 | 0.31100 | 0.58550 |
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