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 Fe1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.16667 | 0.70833 | 0.08333 | mx,my,mz | 0.60000 | 4.20000 | 0.40000 |
2 | 0.29167 | 0.45834 | 0.08333 | -my,mx-my,mz | -4.20000 | -3.60000 | 0.40000 |
3 | 0.54166 | 0.83333 | 0.08333 | -mx+my,-mx,mz | 3.60000 | -0.60000 | 0.40000 |
4 | 0.54166 | 0.70833 | 0.58333 | mx-my,-my,-mz | -3.60000 | -4.20000 | -0.40000 |
5 | 0.29167 | 0.83333 | 0.58333 | my,mx,-mz | 4.20000 | 0.60000 | -0.40000 |
6 | 0.16667 | 0.45834 | 0.58333 | -mx,-mx+my,-mz | -0.60000 | 3.60000 | -0.40000 |
7 | 0.45834 | 0.29167 | 0.41667 | -mx+my,my,mz | 3.60000 | 4.20000 | 0.40000 |
8 | 0.70833 | 0.16667 | 0.41667 | -my,-mx,mz | -4.20000 | -0.60000 | 0.40000 |
9 | 0.83333 | 0.54166 | 0.41667 | mx,mx-my,mz | 0.60000 | -3.60000 | 0.40000 |
10 | 0.83333 | 0.29167 | 0.91667 | -mx,-my,-mz | -0.60000 | -4.20000 | -0.40000 |
11 | 0.70833 | 0.54166 | 0.91667 | my,-mx+my,-mz | 4.20000 | 3.60000 | -0.40000 |
12 | 0.45834 | 0.16667 | 0.91667 | mx-my,mx,-mz | -3.60000 | 0.60000 | -0.40000 |
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13 | 0.83334 | 0.04166 | 0.41666 | mx,my,mz | 0.60000 | 4.20000 | 0.40000 |
14 | 0.95834 | 0.79167 | 0.41666 | -my,mx-my,mz | -4.20000 | -3.60000 | 0.40000 |
15 | 0.20833 | 0.16666 | 0.41666 | -mx+my,-mx,mz | 3.60000 | -0.60000 | 0.40000 |
16 | 0.20833 | 0.04166 | 0.91666 | mx-my,-my,-mz | -3.60000 | -4.20000 | -0.40000 |
17 | 0.95834 | 0.16666 | 0.91666 | my,mx,-mz | 4.20000 | 0.60000 | -0.40000 |
18 | 0.83334 | 0.79167 | 0.91666 | -mx,-mx+my,-mz | -0.60000 | 3.60000 | -0.40000 |
19 | 0.12501 | 0.62500 | 0.75000 | -mx+my,my,mz | 3.60000 | 4.20000 | 0.40000 |
20 | 0.37500 | 0.50000 | 0.75000 | -my,-mx,mz | -4.20000 | -0.60000 | 0.40000 |
21 | 0.50000 | 0.87499 | 0.75000 | mx,mx-my,mz | 0.60000 | -3.60000 | 0.40000 |
22 | 0.50000 | 0.62500 | 0.25000 | -mx,-my,-mz | -0.60000 | -4.20000 | -0.40000 |
23 | 0.37500 | 0.87499 | 0.25000 | my,-mx+my,-mz | 4.20000 | 3.60000 | -0.40000 |
24 | 0.12501 | 0.50000 | 0.25000 | mx-my,mx,-mz | -3.60000 | 0.60000 | -0.40000 |
(1/3,2/3,2/3) + set click here to show and hide |
25 | 0.50000 | 0.37500 | 0.75000 | mx,my,mz | 0.60000 | 4.20000 | 0.40000 |
26 | 0.62500 | 0.12501 | 0.75000 | -my,mx-my,mz | -4.20000 | -3.60000 | 0.40000 |
27 | 0.87499 | 0.50000 | 0.75000 | -mx+my,-mx,mz | 3.60000 | -0.60000 | 0.40000 |
28 | 0.87499 | 0.37500 | 0.25000 | mx-my,-my,-mz | -3.60000 | -4.20000 | -0.40000 |
29 | 0.62500 | 0.50000 | 0.25000 | my,mx,-mz | 4.20000 | 0.60000 | -0.40000 |
30 | 0.50000 | 0.12501 | 0.25000 | -mx,-mx+my,-mz | -0.60000 | 3.60000 | -0.40000 |
31 | 0.79167 | 0.95834 | 0.08334 | -mx+my,my,mz | 3.60000 | 4.20000 | 0.40000 |
32 | 0.04166 | 0.83334 | 0.08334 | -my,-mx,mz | -4.20000 | -0.60000 | 0.40000 |
33 | 0.16666 | 0.20833 | 0.08334 | mx,mx-my,mz | 0.60000 | -3.60000 | 0.40000 |
34 | 0.16666 | 0.95834 | 0.58334 | -mx,-my,-mz | -0.60000 | -4.20000 | -0.40000 |
35 | 0.04166 | 0.20833 | 0.58334 | my,-mx+my,-mz | 4.20000 | 3.60000 | -0.40000 |
36 | 0.79167 | 0.83334 | 0.58334 | mx-my,mx,-mz | -3.60000 | 0.60000 | -0.40000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ca1_1:
Atom | x | y | z |
1 | 0.12500 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.12500 | 0.25000 |
3 | 0.87500 | 0.87500 | 0.25000 |
4 | 0.87500 | 0.00000 | 0.75000 |
5 | 0.00000 | 0.87500 | 0.75000 |
6 | 0.12500 | 0.12500 | 0.75000 |
(2/3,1/3,1/3) + set click here to show and hide |
7 | 0.79167 | 0.33333 | 0.58333 |
8 | 0.66667 | 0.45833 | 0.58333 |
9 | 0.54167 | 0.20833 | 0.58333 |
10 | 0.54167 | 0.33333 | 0.08333 |
11 | 0.66667 | 0.20833 | 0.08333 |
12 | 0.79167 | 0.45833 | 0.08333 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.45833 | 0.66667 | 0.91667 |
14 | 0.33333 | 0.79167 | 0.91667 |
15 | 0.20833 | 0.54167 | 0.91667 |
16 | 0.20833 | 0.66667 | 0.41667 |
17 | 0.33333 | 0.54167 | 0.41667 |
18 | 0.45833 | 0.79167 | 0.41667 |
Set of atoms in the unit cell related by symmetry with the atom Ca1_2:
Atom | x | y | z |
1 | 0.62500 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.62500 | 0.25000 |
3 | 0.37500 | 0.37500 | 0.25000 |
4 | 0.37500 | 0.00000 | 0.75000 |
5 | 0.00000 | 0.37500 | 0.75000 |
6 | 0.62500 | 0.62500 | 0.75000 |
(2/3,1/3,1/3) + set click here to show and hide |
7 | 0.29167 | 0.33333 | 0.58333 |
8 | 0.66667 | 0.95833 | 0.58333 |
9 | 0.04167 | 0.70833 | 0.58333 |
10 | 0.04167 | 0.33333 | 0.08333 |
11 | 0.66667 | 0.70833 | 0.08333 |
12 | 0.29167 | 0.95833 | 0.08333 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.95833 | 0.66667 | 0.91667 |
14 | 0.33333 | 0.29167 | 0.91667 |
15 | 0.70833 | 0.04167 | 0.91667 |
16 | 0.70833 | 0.66667 | 0.41667 |
17 | 0.33333 | 0.04167 | 0.41667 |
18 | 0.95833 | 0.29167 | 0.41667 |
Set of atoms in the unit cell related by symmetry with the atom La1_1:
Atom | x | y | z |
1 | 0.12500 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.12500 | 0.25000 |
3 | 0.87500 | 0.87500 | 0.25000 |
4 | 0.87500 | 0.00000 | 0.75000 |
5 | 0.00000 | 0.87500 | 0.75000 |
6 | 0.12500 | 0.12500 | 0.75000 |
(2/3,1/3,1/3) + set click here to show and hide |
7 | 0.79167 | 0.33333 | 0.58333 |
8 | 0.66667 | 0.45833 | 0.58333 |
9 | 0.54167 | 0.20833 | 0.58333 |
10 | 0.54167 | 0.33333 | 0.08333 |
11 | 0.66667 | 0.20833 | 0.08333 |
12 | 0.79167 | 0.45833 | 0.08333 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.45833 | 0.66667 | 0.91667 |
14 | 0.33333 | 0.79167 | 0.91667 |
15 | 0.20833 | 0.54167 | 0.91667 |
16 | 0.20833 | 0.66667 | 0.41667 |
17 | 0.33333 | 0.54167 | 0.41667 |
18 | 0.45833 | 0.79167 | 0.41667 |
Set of atoms in the unit cell related by symmetry with the atom La1_2:
Atom | x | y | z |
1 | 0.62500 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.62500 | 0.25000 |
3 | 0.37500 | 0.37500 | 0.25000 |
4 | 0.37500 | 0.00000 | 0.75000 |
5 | 0.00000 | 0.37500 | 0.75000 |
6 | 0.62500 | 0.62500 | 0.75000 |
(2/3,1/3,1/3) + set click here to show and hide |
7 | 0.29167 | 0.33333 | 0.58333 |
8 | 0.66667 | 0.95833 | 0.58333 |
9 | 0.04167 | 0.70833 | 0.58333 |
10 | 0.04167 | 0.33333 | 0.08333 |
11 | 0.66667 | 0.70833 | 0.08333 |
12 | 0.29167 | 0.95833 | 0.08333 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.95833 | 0.66667 | 0.91667 |
14 | 0.33333 | 0.29167 | 0.91667 |
15 | 0.70833 | 0.04167 | 0.91667 |
16 | 0.70833 | 0.66667 | 0.41667 |
17 | 0.33333 | 0.04167 | 0.41667 |
18 | 0.95833 | 0.29167 | 0.41667 |
Set of atoms in the unit cell related by symmetry with the atom Zr1_1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.50000 |
(2/3,1/3,1/3) + set click here to show and hide |
3 | 0.66667 | 0.33333 | 0.33333 |
4 | 0.66667 | 0.33333 | 0.83333 |
(1/3,2/3,2/3) + set click here to show and hide |
5 | 0.33333 | 0.66667 | 0.66667 |
6 | 0.33333 | 0.66667 | 0.16667 |
Set of atoms in the unit cell related by symmetry with the atom Zr1_2:
Atom | x | y | z |
1 | 0.50000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.00000 |
3 | 0.50000 | 0.50000 | 0.00000 |
4 | 0.50000 | 0.00000 | 0.50000 |
5 | 0.00000 | 0.50000 | 0.50000 |
6 | 0.50000 | 0.50000 | 0.50000 |
(2/3,1/3,1/3) + set click here to show and hide |
7 | 0.16667 | 0.33333 | 0.33333 |
8 | 0.66667 | 0.83333 | 0.33333 |
9 | 0.16667 | 0.83333 | 0.33333 |
10 | 0.16667 | 0.33333 | 0.83333 |
11 | 0.66667 | 0.83333 | 0.83333 |
12 | 0.16667 | 0.83333 | 0.83333 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.83333 | 0.66667 | 0.66667 |
14 | 0.33333 | 0.16667 | 0.66667 |
15 | 0.83333 | 0.16667 | 0.66667 |
16 | 0.83333 | 0.66667 | 0.16667 |
17 | 0.33333 | 0.16667 | 0.16667 |
18 | 0.83333 | 0.16667 | 0.16667 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.09400 | 0.09500 | 0.11800 |
2 | 0.90500 | 0.99900 | 0.11800 |
3 | 0.00100 | 0.90600 | 0.11800 |
4 | 0.00100 | 0.09500 | 0.61800 |
5 | 0.90500 | 0.90600 | 0.61800 |
6 | 0.09400 | 0.99900 | 0.61800 |
7 | 0.99900 | 0.90500 | 0.38200 |
8 | 0.09500 | 0.09400 | 0.38200 |
9 | 0.90600 | 0.00100 | 0.38200 |
10 | 0.90600 | 0.90500 | 0.88200 |
11 | 0.09500 | 0.00100 | 0.88200 |
12 | 0.99900 | 0.09400 | 0.88200 |
(2/3,1/3,1/3) + set click here to show and hide |
13 | 0.76067 | 0.42833 | 0.45133 |
14 | 0.57167 | 0.33233 | 0.45133 |
15 | 0.66767 | 0.23933 | 0.45133 |
16 | 0.66767 | 0.42833 | 0.95133 |
17 | 0.57167 | 0.23933 | 0.95133 |
18 | 0.76067 | 0.33233 | 0.95133 |
19 | 0.66567 | 0.23833 | 0.71533 |
20 | 0.76167 | 0.42733 | 0.71533 |
21 | 0.57267 | 0.33433 | 0.71533 |
22 | 0.57267 | 0.23833 | 0.21533 |
23 | 0.76167 | 0.33433 | 0.21533 |
24 | 0.66567 | 0.42733 | 0.21533 |
(1/3,2/3,2/3) + set click here to show and hide |
25 | 0.42733 | 0.76167 | 0.78467 |
26 | 0.23833 | 0.66567 | 0.78467 |
27 | 0.33433 | 0.57267 | 0.78467 |
28 | 0.33433 | 0.76167 | 0.28467 |
29 | 0.23833 | 0.57267 | 0.28467 |
30 | 0.42733 | 0.66567 | 0.28467 |
31 | 0.33233 | 0.57167 | 0.04867 |
32 | 0.42833 | 0.76067 | 0.04867 |
33 | 0.23933 | 0.66767 | 0.04867 |
34 | 0.23933 | 0.57167 | 0.54867 |
35 | 0.42833 | 0.66767 | 0.54867 |
36 | 0.33233 | 0.76067 | 0.54867 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.11900 | 0.26500 | 0.17100 |
2 | 0.73500 | 0.85400 | 0.17100 |
3 | 0.14600 | 0.88100 | 0.17100 |
4 | 0.14600 | 0.26500 | 0.67100 |
5 | 0.73500 | 0.88100 | 0.67100 |
6 | 0.11900 | 0.85400 | 0.67100 |
7 | 0.85400 | 0.73500 | 0.32900 |
8 | 0.26500 | 0.11900 | 0.32900 |
9 | 0.88100 | 0.14600 | 0.32900 |
10 | 0.88100 | 0.73500 | 0.82900 |
11 | 0.26500 | 0.14600 | 0.82900 |
12 | 0.85400 | 0.11900 | 0.82900 |
(2/3,1/3,1/3) + set click here to show and hide |
13 | 0.78567 | 0.59833 | 0.50433 |
14 | 0.40167 | 0.18733 | 0.50433 |
15 | 0.81267 | 0.21433 | 0.50433 |
16 | 0.81267 | 0.59833 | 0.00433 |
17 | 0.40167 | 0.21433 | 0.00433 |
18 | 0.78567 | 0.18733 | 0.00433 |
19 | 0.52067 | 0.06833 | 0.66233 |
20 | 0.93167 | 0.45233 | 0.66233 |
21 | 0.54767 | 0.47933 | 0.66233 |
22 | 0.54767 | 0.06833 | 0.16233 |
23 | 0.93167 | 0.47933 | 0.16233 |
24 | 0.52067 | 0.45233 | 0.16233 |
(1/3,2/3,2/3) + set click here to show and hide |
25 | 0.45233 | 0.93167 | 0.83767 |
26 | 0.06833 | 0.52067 | 0.83767 |
27 | 0.47933 | 0.54767 | 0.83767 |
28 | 0.47933 | 0.93167 | 0.33767 |
29 | 0.06833 | 0.54767 | 0.33767 |
30 | 0.45233 | 0.52067 | 0.33767 |
31 | 0.18733 | 0.40167 | 0.99567 |
32 | 0.59833 | 0.78567 | 0.99567 |
33 | 0.21433 | 0.81267 | 0.99567 |
34 | 0.21433 | 0.40167 | 0.49567 |
35 | 0.59833 | 0.81267 | 0.49567 |
36 | 0.18733 | 0.78567 | 0.49567 |
Set of atoms in the unit cell related by symmetry with the atom O1_3:
Atom | x | y | z |
1 | 0.61200 | 0.70100 | 0.28400 |
2 | 0.29900 | 0.91100 | 0.28400 |
3 | 0.08900 | 0.38800 | 0.28400 |
4 | 0.08900 | 0.70100 | 0.78400 |
5 | 0.29900 | 0.38800 | 0.78400 |
6 | 0.61200 | 0.91100 | 0.78400 |
7 | 0.91100 | 0.29900 | 0.21600 |
8 | 0.70100 | 0.61200 | 0.21600 |
9 | 0.38800 | 0.08900 | 0.21600 |
10 | 0.38800 | 0.29900 | 0.71600 |
11 | 0.70100 | 0.08900 | 0.71600 |
12 | 0.91100 | 0.61200 | 0.71600 |
(2/3,1/3,1/3) + set click here to show and hide |
13 | 0.27867 | 0.03433 | 0.61733 |
14 | 0.96567 | 0.24433 | 0.61733 |
15 | 0.75567 | 0.72133 | 0.61733 |
16 | 0.75567 | 0.03433 | 0.11733 |
17 | 0.96567 | 0.72133 | 0.11733 |
18 | 0.27867 | 0.24433 | 0.11733 |
19 | 0.57767 | 0.63233 | 0.54933 |
20 | 0.36767 | 0.94533 | 0.54933 |
21 | 0.05467 | 0.42233 | 0.54933 |
22 | 0.05467 | 0.63233 | 0.04933 |
23 | 0.36767 | 0.42233 | 0.04933 |
24 | 0.57767 | 0.94533 | 0.04933 |
(1/3,2/3,2/3) + set click here to show and hide |
25 | 0.94533 | 0.36767 | 0.95067 |
26 | 0.63233 | 0.57767 | 0.95067 |
27 | 0.42233 | 0.05467 | 0.95067 |
28 | 0.42233 | 0.36767 | 0.45067 |
29 | 0.63233 | 0.05467 | 0.45067 |
30 | 0.94533 | 0.57767 | 0.45067 |
31 | 0.24433 | 0.96567 | 0.88267 |
32 | 0.03433 | 0.27867 | 0.88267 |
33 | 0.72133 | 0.75567 | 0.88267 |
34 | 0.72133 | 0.96567 | 0.38267 |
35 | 0.03433 | 0.75567 | 0.38267 |
36 | 0.24433 | 0.27867 | 0.38267 |
Set of atoms in the unit cell related by symmetry with the atom O1_4:
Atom | x | y | z |
1 | 0.51000 | 0.60600 | 0.08400 |
2 | 0.39400 | 0.90400 | 0.08400 |
3 | 0.09600 | 0.49000 | 0.08400 |
4 | 0.09600 | 0.60600 | 0.58400 |
5 | 0.39400 | 0.49000 | 0.58400 |
6 | 0.51000 | 0.90400 | 0.58400 |
7 | 0.90400 | 0.39400 | 0.41600 |
8 | 0.60600 | 0.51000 | 0.41600 |
9 | 0.49000 | 0.09600 | 0.41600 |
10 | 0.49000 | 0.39400 | 0.91600 |
11 | 0.60600 | 0.09600 | 0.91600 |
12 | 0.90400 | 0.51000 | 0.91600 |
(2/3,1/3,1/3) + set click here to show and hide |
13 | 0.17667 | 0.93933 | 0.41733 |
14 | 0.06067 | 0.23733 | 0.41733 |
15 | 0.76267 | 0.82333 | 0.41733 |
16 | 0.76267 | 0.93933 | 0.91733 |
17 | 0.06067 | 0.82333 | 0.91733 |
18 | 0.17667 | 0.23733 | 0.91733 |
19 | 0.57067 | 0.72733 | 0.74933 |
20 | 0.27267 | 0.84333 | 0.74933 |
21 | 0.15667 | 0.42933 | 0.74933 |
22 | 0.15667 | 0.72733 | 0.24933 |
23 | 0.27267 | 0.42933 | 0.24933 |
24 | 0.57067 | 0.84333 | 0.24933 |
(1/3,2/3,2/3) + set click here to show and hide |
25 | 0.84333 | 0.27267 | 0.75067 |
26 | 0.72733 | 0.57067 | 0.75067 |
27 | 0.42933 | 0.15667 | 0.75067 |
28 | 0.42933 | 0.27267 | 0.25067 |
29 | 0.72733 | 0.15667 | 0.25067 |
30 | 0.84333 | 0.57067 | 0.25067 |
31 | 0.23733 | 0.06067 | 0.08267 |
32 | 0.93933 | 0.17667 | 0.08267 |
33 | 0.82333 | 0.76267 | 0.08267 |
34 | 0.82333 | 0.06067 | 0.58267 |
35 | 0.93933 | 0.76267 | 0.58267 |
36 | 0.23733 | 0.17667 | 0.58267 |
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