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 | 0.47380 | 0.87500 | 0.27620 | mx,my,mx | 0.32500 | 0.00000 | 0.32500 |
2 | 0.97380 | 0.62500 | 0.72380 | mx,-my,-mx | 0.32500 | 0.00000 | -0.32500 |
3 | 0.52620 | 0.37500 | 0.22380 | -mx,my,-mx | -0.32500 | 0.00000 | -0.32500 |
4 | 0.02620 | 0.12500 | 0.77620 | -mx,-my,mx | -0.32500 | 0.00000 | 0.32500 |
5 | 0.27620 | 0.47380 | 0.87500 | mx,mx,my | 0.32500 | 0.32500 | 0.00000 |
6 | 0.87500 | 0.27620 | 0.47380 | my,mx,mx | 0.00000 | 0.32500 | 0.32500 |
7 | 0.12500 | 0.77620 | 0.02620 | -my,mx,-mx | 0.00000 | 0.32500 | -0.32500 |
8 | 0.22380 | 0.52620 | 0.37500 | -mx,-mx,my | -0.32500 | -0.32500 | 0.00000 |
9 | 0.62500 | 0.72380 | 0.97380 | -my,-mx,mx | 0.00000 | -0.32500 | 0.32500 |
10 | 0.77620 | 0.02620 | 0.12500 | mx,-mx,-my | 0.32500 | -0.32500 | 0.00000 |
11 | 0.37500 | 0.22380 | 0.52620 | my,-mx,-mx | 0.00000 | -0.32500 | -0.32500 |
12 | 0.72380 | 0.97380 | 0.62500 | -mx,mx,-my | -0.32500 | 0.32500 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Te1:
Atom | x | y | z |
1 | 0.33710 | 0.91800 | 0.06400 |
2 | 0.83710 | 0.58200 | 0.93600 |
3 | 0.66290 | 0.41800 | 0.43600 |
4 | 0.16290 | 0.08200 | 0.56400 |
5 | 0.06400 | 0.33710 | 0.91800 |
6 | 0.91800 | 0.06400 | 0.33710 |
7 | 0.08200 | 0.56400 | 0.16290 |
8 | 0.43600 | 0.66290 | 0.41800 |
9 | 0.58200 | 0.93600 | 0.83710 |
10 | 0.56400 | 0.16290 | 0.08200 |
11 | 0.41800 | 0.43600 | 0.66290 |
12 | 0.93600 | 0.83710 | 0.58200 |
13 | 0.58710 | 0.18600 | 0.66800 |
14 | 0.08710 | 0.31400 | 0.33200 |
15 | 0.81400 | 0.16800 | 0.91290 |
16 | 0.18600 | 0.66800 | 0.58710 |
17 | 0.33200 | 0.08710 | 0.31400 |
18 | 0.16800 | 0.91290 | 0.81400 |
19 | 0.66800 | 0.58710 | 0.18600 |
20 | 0.83200 | 0.41290 | 0.68600 |
21 | 0.91290 | 0.81400 | 0.16800 |
22 | 0.41290 | 0.68600 | 0.83200 |
23 | 0.31400 | 0.33200 | 0.08710 |
24 | 0.68600 | 0.83200 | 0.41290 |
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.05630 | 0.05630 | 0.05630 |
2 | 0.55630 | 0.44370 | 0.94370 |
3 | 0.94370 | 0.55630 | 0.44370 |
4 | 0.44370 | 0.94370 | 0.55630 |
5 | 0.30630 | 0.19370 | 0.80630 |
6 | 0.80630 | 0.30630 | 0.19370 |
7 | 0.19370 | 0.80630 | 0.30630 |
8 | 0.69370 | 0.69370 | 0.69370 |
Set of atoms in the unit cell related by symmetry with the atom Ba2:
Atom | x | y | z |
1 | 0.87500 | 0.87500 | 0.87500 |
2 | 0.37500 | 0.62500 | 0.12500 |
3 | 0.12500 | 0.37500 | 0.62500 |
4 | 0.62500 | 0.12500 | 0.37500 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.57630 | 0.92420 | 0.37370 |
2 | 0.07630 | 0.57580 | 0.62630 |
3 | 0.42370 | 0.42420 | 0.12630 |
4 | 0.92370 | 0.07580 | 0.87370 |
5 | 0.37370 | 0.57630 | 0.92420 |
6 | 0.92420 | 0.37370 | 0.57630 |
7 | 0.07580 | 0.87370 | 0.92370 |
8 | 0.12630 | 0.42370 | 0.42420 |
9 | 0.57580 | 0.62630 | 0.07630 |
10 | 0.87370 | 0.92370 | 0.07580 |
11 | 0.42420 | 0.12630 | 0.42370 |
12 | 0.62630 | 0.07630 | 0.57580 |
13 | 0.82630 | 0.87630 | 0.67420 |
14 | 0.32630 | 0.62370 | 0.32580 |
15 | 0.12370 | 0.17420 | 0.67370 |
16 | 0.87630 | 0.67420 | 0.82630 |
17 | 0.32580 | 0.32630 | 0.62370 |
18 | 0.17420 | 0.67370 | 0.12370 |
19 | 0.67420 | 0.82630 | 0.87630 |
20 | 0.82580 | 0.17370 | 0.37630 |
21 | 0.67370 | 0.12370 | 0.17420 |
22 | 0.17370 | 0.37630 | 0.82580 |
23 | 0.62370 | 0.32580 | 0.32630 |
24 | 0.37630 | 0.82580 | 0.17370 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.26620 | 0.81150 | 0.99000 |
2 | 0.76620 | 0.68850 | 0.01000 |
3 | 0.73380 | 0.31150 | 0.51000 |
4 | 0.23380 | 0.18850 | 0.49000 |
5 | 0.99000 | 0.26620 | 0.81150 |
6 | 0.81150 | 0.99000 | 0.26620 |
7 | 0.18850 | 0.49000 | 0.23380 |
8 | 0.51000 | 0.73380 | 0.31150 |
9 | 0.68850 | 0.01000 | 0.76620 |
10 | 0.49000 | 0.23380 | 0.18850 |
11 | 0.31150 | 0.51000 | 0.73380 |
12 | 0.01000 | 0.76620 | 0.68850 |
13 | 0.51620 | 0.26000 | 0.56150 |
14 | 0.01620 | 0.24000 | 0.43850 |
15 | 0.74000 | 0.06150 | 0.98380 |
16 | 0.26000 | 0.56150 | 0.51620 |
17 | 0.43850 | 0.01620 | 0.24000 |
18 | 0.06150 | 0.98380 | 0.74000 |
19 | 0.56150 | 0.51620 | 0.26000 |
20 | 0.93850 | 0.48380 | 0.76000 |
21 | 0.98380 | 0.74000 | 0.06150 |
22 | 0.48380 | 0.76000 | 0.93850 |
23 | 0.24000 | 0.43850 | 0.01620 |
24 | 0.76000 | 0.93850 | 0.48380 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.22670 | 0.97390 | 0.13720 |
2 | 0.72670 | 0.52610 | 0.86280 |
3 | 0.77330 | 0.47390 | 0.36280 |
4 | 0.27330 | 0.02610 | 0.63720 |
5 | 0.13720 | 0.22670 | 0.97390 |
6 | 0.97390 | 0.13720 | 0.22670 |
7 | 0.02610 | 0.63720 | 0.27330 |
8 | 0.36280 | 0.77330 | 0.47390 |
9 | 0.52610 | 0.86280 | 0.72670 |
10 | 0.63720 | 0.27330 | 0.02610 |
11 | 0.47390 | 0.36280 | 0.77330 |
12 | 0.86280 | 0.72670 | 0.52610 |
13 | 0.47670 | 0.11280 | 0.72390 |
14 | 0.97670 | 0.38720 | 0.27610 |
15 | 0.88720 | 0.22390 | 0.02330 |
16 | 0.11280 | 0.72390 | 0.47670 |
17 | 0.27610 | 0.97670 | 0.38720 |
18 | 0.22390 | 0.02330 | 0.88720 |
19 | 0.72390 | 0.47670 | 0.11280 |
20 | 0.77610 | 0.52330 | 0.61280 |
21 | 0.02330 | 0.88720 | 0.22390 |
22 | 0.52330 | 0.61280 | 0.77610 |
23 | 0.38720 | 0.27610 | 0.97670 |
24 | 0.61280 | 0.77610 | 0.52330 |
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