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 Pr1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.00000 | 0,0,mz | 0.00000 | 0.00000 | 0.79000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.33333 | 0,0,mz | 0.00000 | 0.00000 | 0.79000 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.66667 | 0,0,mz | 0.00000 | 0.00000 | 0.79000 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.00000 | 0.00000 | 0.50000 | 0,0,-mz | 0.00000 | 0.00000 | -0.79000 |
(1/3,2/3,5/6)' + set click here to show and hide |
5 | 0.33333 | 0.66667 | 0.83333 | 0,0,-mz | 0.00000 | 0.00000 | -0.79000 |
(2/3,1/3,1/6)' + set click here to show and hide |
6 | 0.66667 | 0.33333 | 0.16667 | 0,0,-mz | 0.00000 | 0.00000 | -0.79000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.55070 | 0.00000 | 0.00000 | mx,2mx,mz | 0.10000 | 0.20000 | 4.32000 |
2 | 0.00000 | 0.55070 | 0.00000 | -2mx,-mx,mz | -0.20000 | -0.10000 | 4.32000 |
3 | 0.44930 | 0.44930 | 0.00000 | mx,-mx,mz | 0.10000 | -0.10000 | 4.32000 |
(1/3,2/3,1/3) + set click here to show and hide |
4 | 0.88403 | 0.66667 | 0.33333 | mx,2mx,mz | 0.10000 | 0.20000 | 4.32000 |
5 | 0.33333 | 0.21737 | 0.33333 | -2mx,-mx,mz | -0.20000 | -0.10000 | 4.32000 |
6 | 0.78263 | 0.11597 | 0.33333 | mx,-mx,mz | 0.10000 | -0.10000 | 4.32000 |
(2/3,1/3,2/3) + set click here to show and hide |
7 | 0.21737 | 0.33333 | 0.66667 | mx,2mx,mz | 0.10000 | 0.20000 | 4.32000 |
8 | 0.66667 | 0.88403 | 0.66667 | -2mx,-mx,mz | -0.20000 | -0.10000 | 4.32000 |
9 | 0.11597 | 0.78263 | 0.66667 | mx,-mx,mz | 0.10000 | -0.10000 | 4.32000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.55070 | 0.00000 | 0.50000 | -mx,-2mx,-mz | -0.10000 | -0.20000 | -4.32000 |
11 | 0.00000 | 0.55070 | 0.50000 | 2mx,mx,-mz | 0.20000 | 0.10000 | -4.32000 |
12 | 0.44930 | 0.44930 | 0.50000 | -mx,mx,-mz | -0.10000 | 0.10000 | -4.32000 |
(1/3,2/3,5/6)' + set click here to show and hide |
13 | 0.88403 | 0.66667 | 0.83333 | -mx,-2mx,-mz | -0.10000 | -0.20000 | -4.32000 |
14 | 0.33333 | 0.21737 | 0.83333 | 2mx,mx,-mz | 0.20000 | 0.10000 | -4.32000 |
15 | 0.78263 | 0.11597 | 0.83333 | -mx,mx,-mz | -0.10000 | 0.10000 | -4.32000 |
(2/3,1/3,1/6)' + set click here to show and hide |
16 | 0.21737 | 0.33333 | 0.16667 | -mx,-2mx,-mz | -0.10000 | -0.20000 | -4.32000 |
17 | 0.66667 | 0.88403 | 0.16667 | 2mx,mx,-mz | 0.20000 | 0.10000 | -4.32000 |
18 | 0.11597 | 0.78263 | 0.16667 | -mx,mx,-mz | -0.10000 | 0.10000 | -4.32000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom B1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
(1/3,2/3,1/3) + set click here to show and hide |
2 | 0.33333 | 0.66667 | 0.58333 |
(2/3,1/3,2/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.91667 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.00000 | 0.00000 | 0.75000 |
(1/3,2/3,5/6)' + set click here to show and hide |
5 | 0.33333 | 0.66667 | 0.08333 |
(2/3,1/3,1/6)' + set click here to show and hide |
6 | 0.66667 | 0.33333 | 0.41667 |
Set of atoms in the unit cell related by symmetry with the atom B2:
Atom | x | y | z |
1 | 0.44590 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.44590 | 0.25000 |
3 | 0.55410 | 0.55410 | 0.25000 |
(1/3,2/3,1/3) + set click here to show and hide |
4 | 0.77923 | 0.66667 | 0.58333 |
5 | 0.33333 | 0.11257 | 0.58333 |
6 | 0.88743 | 0.22077 | 0.58333 |
(2/3,1/3,2/3) + set click here to show and hide |
7 | 0.11257 | 0.33333 | 0.91667 |
8 | 0.66667 | 0.77923 | 0.91667 |
9 | 0.22077 | 0.88743 | 0.91667 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.44590 | 0.00000 | 0.75000 |
11 | 0.00000 | 0.44590 | 0.75000 |
12 | 0.55410 | 0.55410 | 0.75000 |
(1/3,2/3,5/6)' + set click here to show and hide |
13 | 0.77923 | 0.66667 | 0.08333 |
14 | 0.33333 | 0.11257 | 0.08333 |
15 | 0.88743 | 0.22077 | 0.08333 |
(2/3,1/3,1/6)' + set click here to show and hide |
16 | 0.11257 | 0.33333 | 0.41667 |
17 | 0.66667 | 0.77923 | 0.41667 |
18 | 0.22077 | 0.88743 | 0.41667 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.85420 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.85420 | 0.25000 |
3 | 0.14580 | 0.14580 | 0.25000 |
(1/3,2/3,1/3) + set click here to show and hide |
4 | 0.18753 | 0.66667 | 0.58333 |
5 | 0.33333 | 0.52087 | 0.58333 |
6 | 0.47913 | 0.81247 | 0.58333 |
(2/3,1/3,2/3) + set click here to show and hide |
7 | 0.52087 | 0.33333 | 0.91667 |
8 | 0.66667 | 0.18753 | 0.91667 |
9 | 0.81247 | 0.47913 | 0.91667 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.85420 | 0.00000 | 0.75000 |
11 | 0.00000 | 0.85420 | 0.75000 |
12 | 0.14580 | 0.14580 | 0.75000 |
(1/3,2/3,5/6)' + set click here to show and hide |
13 | 0.18753 | 0.66667 | 0.08333 |
14 | 0.33333 | 0.52087 | 0.08333 |
15 | 0.47913 | 0.81247 | 0.08333 |
(2/3,1/3,1/6)' + set click here to show and hide |
16 | 0.52087 | 0.33333 | 0.41667 |
17 | 0.66667 | 0.18753 | 0.41667 |
18 | 0.81247 | 0.47913 | 0.41667 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.59040 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.59040 | 0.25000 |
3 | 0.40960 | 0.40960 | 0.25000 |
(1/3,2/3,1/3) + set click here to show and hide |
4 | 0.92373 | 0.66667 | 0.58333 |
5 | 0.33333 | 0.25707 | 0.58333 |
6 | 0.74293 | 0.07627 | 0.58333 |
(2/3,1/3,2/3) + set click here to show and hide |
7 | 0.25707 | 0.33333 | 0.91667 |
8 | 0.66667 | 0.92373 | 0.91667 |
9 | 0.07627 | 0.74293 | 0.91667 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.59040 | 0.00000 | 0.75000 |
11 | 0.00000 | 0.59040 | 0.75000 |
12 | 0.40960 | 0.40960 | 0.75000 |
(1/3,2/3,5/6)' + set click here to show and hide |
13 | 0.92373 | 0.66667 | 0.08333 |
14 | 0.33333 | 0.25707 | 0.08333 |
15 | 0.74293 | 0.07627 | 0.08333 |
(2/3,1/3,1/6)' + set click here to show and hide |
16 | 0.25707 | 0.33333 | 0.41667 |
17 | 0.66667 | 0.92373 | 0.41667 |
18 | 0.07627 | 0.74293 | 0.41667 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.02620 | 0.21490 | 0.09315 |
2 | 0.78510 | 0.81130 | 0.09315 |
3 | 0.18870 | 0.97380 | 0.09315 |
4 | 0.81130 | 0.78510 | 0.40685 |
5 | 0.21490 | 0.02620 | 0.40685 |
6 | 0.97380 | 0.18870 | 0.40685 |
(1/3,2/3,1/3) + set click here to show and hide |
7 | 0.35953 | 0.88157 | 0.42648 |
8 | 0.11843 | 0.47797 | 0.42648 |
9 | 0.52203 | 0.64047 | 0.42648 |
10 | 0.14463 | 0.45177 | 0.74018 |
11 | 0.54823 | 0.69287 | 0.74018 |
12 | 0.30713 | 0.85537 | 0.74018 |
(2/3,1/3,2/3) + set click here to show and hide |
13 | 0.69287 | 0.54823 | 0.75982 |
14 | 0.45177 | 0.14463 | 0.75982 |
15 | 0.85537 | 0.30713 | 0.75982 |
16 | 0.47797 | 0.11843 | 0.07352 |
17 | 0.88157 | 0.35953 | 0.07352 |
18 | 0.64047 | 0.52203 | 0.07352 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.02620 | 0.21490 | 0.59315 |
20 | 0.78510 | 0.81130 | 0.59315 |
21 | 0.18870 | 0.97380 | 0.59315 |
22 | 0.81130 | 0.78510 | 0.90685 |
23 | 0.21490 | 0.02620 | 0.90685 |
24 | 0.97380 | 0.18870 | 0.90685 |
(1/3,2/3,5/6)' + set click here to show and hide |
25 | 0.35953 | 0.88157 | 0.92648 |
26 | 0.11843 | 0.47797 | 0.92648 |
27 | 0.52203 | 0.64047 | 0.92648 |
28 | 0.14463 | 0.45177 | 0.24018 |
29 | 0.54823 | 0.69287 | 0.24018 |
30 | 0.30713 | 0.85537 | 0.24018 |
(2/3,1/3,1/6)' + set click here to show and hide |
31 | 0.69287 | 0.54823 | 0.25982 |
32 | 0.45177 | 0.14463 | 0.25982 |
33 | 0.85537 | 0.30713 | 0.25982 |
34 | 0.47797 | 0.11843 | 0.57352 |
35 | 0.88157 | 0.35953 | 0.57352 |
36 | 0.64047 | 0.52203 | 0.57352 |
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