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 Co1_1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.77634 | 0.22867 | 0.53000 | mx,my,mz | 1.56500 | 3.13000 | 0.00000 |
2 | 0.54767 | 0.77634 | 0.03000 | mx-my,mx,mz | -1.56500 | 1.56500 | 0.00000 |
3 | 0.77133 | 0.54767 | 0.53000 | -my,mx-my,mz | -3.13000 | -1.56500 | 0.00000 |
4 | 0.22366 | 0.77133 | 0.03000 | -mx,-my,mz | -1.56500 | -3.13000 | 0.00000 |
5 | 0.45233 | 0.22366 | 0.53000 | -mx+my,-mx,mz | 1.56500 | -1.56500 | 0.00000 |
6 | 0.22867 | 0.45233 | 0.03000 | my,-mx+my,mz | 3.13000 | 1.56500 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Co1_2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.10966 | 0.89533 | 0.53000 | mx,my,mz | 1.56500 | 3.13000 | 0.00000 |
2 | 0.21433 | 0.10966 | 0.03000 | mx-my,mx,mz | -1.56500 | 1.56500 | 0.00000 |
3 | 0.10467 | 0.21433 | 0.53000 | -my,mx-my,mz | -3.13000 | -1.56500 | 0.00000 |
4 | 0.89034 | 0.10467 | 0.03000 | -mx,-my,mz | -1.56500 | -3.13000 | 0.00000 |
5 | 0.78567 | 0.89034 | 0.53000 | -mx+my,-mx,mz | 1.56500 | -1.56500 | 0.00000 |
6 | 0.89533 | 0.78567 | 0.03000 | my,-mx+my,mz | 3.13000 | 1.56500 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Co1_3:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.55700 | 0.43800 | 0.03000 | mx,my,mz | 1.56500 | 3.13000 | 0.00000 |
2 | 0.11900 | 0.55700 | 0.53000 | mx-my,mx,mz | -1.56500 | 1.56500 | 0.00000 |
3 | 0.56200 | 0.11900 | 0.03000 | -my,mx-my,mz | -3.13000 | -1.56500 | 0.00000 |
4 | 0.44300 | 0.56200 | 0.53000 | -mx,-my,mz | -1.56500 | -3.13000 | 0.00000 |
5 | 0.88100 | 0.44300 | 0.03000 | -mx+my,-mx,mz | 1.56500 | -1.56500 | 0.00000 |
6 | 0.43800 | 0.88100 | 0.53000 | my,-mx+my,mz | 3.13000 | 1.56500 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.00000 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_2:
Atom | x | y | z |
1 | 0.33334 | 0.66667 | 0.25000 |
2 | 0.66667 | 0.33334 | 0.75000 |
Set of atoms in the unit cell related by symmetry with the atom Ba1_3:
Atom | x | y | z |
1 | 0.33334 | 0.66667 | 0.75000 |
2 | 0.66667 | 0.33334 | 0.25000 |
Set of atoms in the unit cell related by symmetry with the atom Ba2:
Atom | x | y | z |
1 | 0.66667 | 0.00000 | 0.22110 |
2 | 0.66667 | 0.66667 | 0.72110 |
3 | 0.00000 | 0.66667 | 0.22110 |
4 | 0.33333 | 0.00000 | 0.72110 |
5 | 0.33333 | 0.33333 | 0.22110 |
6 | 0.00000 | 0.33333 | 0.72110 |
Set of atoms in the unit cell related by symmetry with the atom Ba3:
Atom | x | y | z |
1 | 0.66667 | 0.00000 | 0.72100 |
2 | 0.66667 | 0.66667 | 0.22100 |
3 | 0.00000 | 0.66667 | 0.72100 |
4 | 0.33333 | 0.00000 | 0.22100 |
5 | 0.33333 | 0.33333 | 0.72100 |
6 | 0.00000 | 0.33333 | 0.22100 |
Set of atoms in the unit cell related by symmetry with the atom Si1_1:
Atom | x | y | z |
1 | 0.56166 | 0.11083 | 0.43100 |
2 | 0.45083 | 0.56166 | 0.93100 |
3 | 0.88917 | 0.45083 | 0.43100 |
4 | 0.43834 | 0.88917 | 0.93100 |
5 | 0.54917 | 0.43834 | 0.43100 |
6 | 0.11083 | 0.54917 | 0.93100 |
Set of atoms in the unit cell related by symmetry with the atom Si1_2:
Atom | x | y | z |
1 | 0.89500 | 0.77750 | 0.43100 |
2 | 0.11750 | 0.89500 | 0.93100 |
3 | 0.22250 | 0.11750 | 0.43100 |
4 | 0.10500 | 0.22250 | 0.93100 |
5 | 0.88250 | 0.10500 | 0.43100 |
6 | 0.77750 | 0.88250 | 0.93100 |
Set of atoms in the unit cell related by symmetry with the atom Si1_3:
Atom | x | y | z |
1 | 0.77166 | 0.55583 | 0.93100 |
2 | 0.21583 | 0.77166 | 0.43100 |
3 | 0.44417 | 0.21583 | 0.93100 |
4 | 0.22834 | 0.44417 | 0.43100 |
5 | 0.78417 | 0.22834 | 0.93100 |
6 | 0.55583 | 0.78417 | 0.43100 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.64741 | 0.20661 | 0.52270 |
2 | 0.44080 | 0.64741 | 0.02270 |
3 | 0.79339 | 0.44080 | 0.52270 |
4 | 0.35259 | 0.79339 | 0.02270 |
5 | 0.55920 | 0.35259 | 0.52270 |
6 | 0.20661 | 0.55920 | 0.02270 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.98073 | 0.87327 | 0.52270 |
2 | 0.10746 | 0.98073 | 0.02270 |
3 | 0.12673 | 0.10746 | 0.52270 |
4 | 0.01927 | 0.12673 | 0.02270 |
5 | 0.89254 | 0.01927 | 0.52270 |
6 | 0.87327 | 0.89254 | 0.02270 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.68593 | 0.46006 | 0.02270 |
2 | 0.22587 | 0.68593 | 0.52270 |
3 | 0.53994 | 0.22587 | 0.02270 |
4 | 0.31407 | 0.53994 | 0.52270 |
5 | 0.77413 | 0.31407 | 0.02270 |
6 | 0.46006 | 0.77413 | 0.52270 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.55296 | 0.00883 | 0.49040 |
2 | 0.54413 | 0.55296 | 0.99040 |
3 | 0.99117 | 0.54413 | 0.49040 |
4 | 0.44704 | 0.99117 | 0.99040 |
5 | 0.45587 | 0.44704 | 0.49040 |
6 | 0.00883 | 0.45587 | 0.99040 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.88630 | 0.67550 | 0.49040 |
2 | 0.21080 | 0.88630 | 0.99040 |
3 | 0.32450 | 0.21080 | 0.49040 |
4 | 0.11370 | 0.32450 | 0.99040 |
5 | 0.78920 | 0.11370 | 0.49040 |
6 | 0.67550 | 0.78920 | 0.99040 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.78036 | 0.65783 | 0.99040 |
2 | 0.12253 | 0.78036 | 0.49040 |
3 | 0.34217 | 0.12253 | 0.99040 |
4 | 0.21964 | 0.34217 | 0.49040 |
5 | 0.87747 | 0.21964 | 0.99040 |
6 | 0.65783 | 0.87747 | 0.49040 |
Set of atoms in the unit cell related by symmetry with the atom O3_1:
Atom | x | y | z |
1 | 0.12524 | 0.44317 | 0.44700 |
2 | 0.68207 | 0.12524 | 0.94700 |
3 | 0.55683 | 0.68207 | 0.44700 |
4 | 0.87476 | 0.55683 | 0.94700 |
5 | 0.31793 | 0.87476 | 0.44700 |
6 | 0.44317 | 0.31793 | 0.94700 |
Set of atoms in the unit cell related by symmetry with the atom O3_2:
Atom | x | y | z |
1 | 0.45856 | 0.10983 | 0.44700 |
2 | 0.34873 | 0.45856 | 0.94700 |
3 | 0.89017 | 0.34873 | 0.44700 |
4 | 0.54144 | 0.89017 | 0.94700 |
5 | 0.65127 | 0.54144 | 0.44700 |
6 | 0.10983 | 0.65127 | 0.94700 |
Set of atoms in the unit cell related by symmetry with the atom O3_3:
Atom | x | y | z |
1 | 0.20810 | 0.22350 | 0.94700 |
2 | 0.98460 | 0.20810 | 0.44700 |
3 | 0.77650 | 0.98460 | 0.94700 |
4 | 0.79190 | 0.77650 | 0.44700 |
5 | 0.01540 | 0.79190 | 0.94700 |
6 | 0.22350 | 0.01540 | 0.44700 |
Set of atoms in the unit cell related by symmetry with the atom O4_1:
Atom | x | y | z |
1 | 0.80516 | 0.26483 | 0.75130 |
2 | 0.54033 | 0.80516 | 0.25130 |
3 | 0.73517 | 0.54033 | 0.75130 |
4 | 0.19484 | 0.73517 | 0.25130 |
5 | 0.45967 | 0.19484 | 0.75130 |
6 | 0.26483 | 0.45967 | 0.25130 |
Set of atoms in the unit cell related by symmetry with the atom O4_2:
Atom | x | y | z |
1 | 0.13850 | 0.93150 | 0.75130 |
2 | 0.20700 | 0.13850 | 0.25130 |
3 | 0.06850 | 0.20700 | 0.75130 |
4 | 0.86150 | 0.06850 | 0.25130 |
5 | 0.79300 | 0.86150 | 0.75130 |
6 | 0.93150 | 0.79300 | 0.25130 |
Set of atoms in the unit cell related by symmetry with the atom O4_3:
Atom | x | y | z |
1 | 0.52816 | 0.40183 | 0.25130 |
2 | 0.12633 | 0.52816 | 0.75130 |
3 | 0.59817 | 0.12633 | 0.25130 |
4 | 0.47184 | 0.59817 | 0.75130 |
5 | 0.87367 | 0.47184 | 0.25130 |
6 | 0.40183 | 0.87367 | 0.75130 |
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