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 | 0.50000 | 0.00000 | 0.00000 | mx,my,mz | 4.42000 | 0.00000 | 0.00000 |
2 | 0.00000 | 0.50000 | 0.00000 | -my,mx-my,mz | 0.00000 | 4.42000 | 0.00000 |
3 | 0.50000 | 0.50000 | 0.00000 | -mx+my,-mx,mz | -4.42000 | -4.42000 | 0.00000 |
(2/3,1/3,1/3) + set click here to show and hide |
4 | 0.16667 | 0.33333 | 0.33333 | mx,my,mz | 4.42000 | 0.00000 | 0.00000 |
5 | 0.66667 | 0.83333 | 0.33333 | -my,mx-my,mz | 0.00000 | 4.42000 | 0.00000 |
6 | 0.16667 | 0.83333 | 0.33333 | -mx+my,-mx,mz | -4.42000 | -4.42000 | 0.00000 |
(1/3,2/3,2/3) + set click here to show and hide |
7 | 0.83333 | 0.66667 | 0.66667 | mx,my,mz | 4.42000 | 0.00000 | 0.00000 |
8 | 0.33333 | 0.16667 | 0.66667 | -my,mx-my,mz | 0.00000 | 4.42000 | 0.00000 |
9 | 0.83333 | 0.16667 | 0.66667 | -mx+my,-mx,mz | -4.42000 | -4.42000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.50000 | 0.00000 | 0.50000 | -mx,-my,-mz | -4.42000 | 0.00000 | 0.00000 |
11 | 0.00000 | 0.50000 | 0.50000 | my,-mx+my,-mz | 0.00000 | -4.42000 | 0.00000 |
12 | 0.50000 | 0.50000 | 0.50000 | mx-my,mx,-mz | 4.42000 | 4.42000 | 0.00000 |
(2/3,1/3,5/6)' + set click here to show and hide |
13 | 0.16667 | 0.33333 | 0.83333 | -mx,-my,-mz | -4.42000 | 0.00000 | 0.00000 |
14 | 0.66667 | 0.83333 | 0.83333 | my,-mx+my,-mz | 0.00000 | -4.42000 | 0.00000 |
15 | 0.16667 | 0.83333 | 0.83333 | mx-my,mx,-mz | 4.42000 | 4.42000 | 0.00000 |
(1/3,2/3,1/6)' + set click here to show and hide |
16 | 0.83333 | 0.66667 | 0.16667 | -mx,-my,-mz | -4.42000 | 0.00000 | 0.00000 |
17 | 0.33333 | 0.16667 | 0.16667 | my,-mx+my,-mz | 0.00000 | -4.42000 | 0.00000 |
18 | 0.83333 | 0.16667 | 0.16667 | mx-my,mx,-mz | 4.42000 | 4.42000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ca1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(2/3,1/3,1/3) + set click here to show and hide |
2 | 0.66667 | 0.33333 | 0.33333 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.66667 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.00000 | 0.00000 | 0.50000 |
(2/3,1/3,5/6)' + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.83333 |
(1/3,2/3,1/6)' + set click here to show and hide |
6 | 0.33333 | 0.66667 | 0.16667 |
Set of atoms in the unit cell related by symmetry with the atom V1_1:
Atom | x | y | z |
1 | 0.50000 | 0.00000 | 0.25000 |
2 | 0.00000 | 0.50000 | 0.25000 |
3 | 0.50000 | 0.50000 | 0.25000 |
(2/3,1/3,1/3) + set click here to show and hide |
4 | 0.16667 | 0.33333 | 0.58333 |
5 | 0.66667 | 0.83333 | 0.58333 |
6 | 0.16667 | 0.83333 | 0.58333 |
(1/3,2/3,2/3) + set click here to show and hide |
7 | 0.83333 | 0.66667 | 0.91667 |
8 | 0.33333 | 0.16667 | 0.91667 |
9 | 0.83333 | 0.16667 | 0.91667 |
(0,0,1/2)' + set click here to show and hide |
10 | 0.50000 | 0.00000 | 0.75000 |
11 | 0.00000 | 0.50000 | 0.75000 |
12 | 0.50000 | 0.50000 | 0.75000 |
(2/3,1/3,5/6)' + set click here to show and hide |
13 | 0.16667 | 0.33333 | 0.08333 |
14 | 0.66667 | 0.83333 | 0.08333 |
15 | 0.16667 | 0.83333 | 0.08333 |
(1/3,2/3,1/6)' + set click here to show and hide |
16 | 0.83333 | 0.66667 | 0.41667 |
17 | 0.33333 | 0.16667 | 0.41667 |
18 | 0.83333 | 0.16667 | 0.41667 |
Set of atoms in the unit cell related by symmetry with the atom V1_2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.25000 |
(2/3,1/3,1/3) + set click here to show and hide |
2 | 0.66667 | 0.33333 | 0.58333 |
(1/3,2/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.66667 | 0.91667 |
(0,0,1/2)' + set click here to show and hide |
4 | 0.00000 | 0.00000 | 0.75000 |
(2/3,1/3,5/6)' + set click here to show and hide |
5 | 0.66667 | 0.33333 | 0.08333 |
(1/3,2/3,1/6)' + set click here to show and hide |
6 | 0.33333 | 0.66667 | 0.41667 |
Set of atoms in the unit cell related by symmetry with the atom O1_1:
Atom | x | y | z |
1 | 0.96600 | 0.23000 | 0.03400 |
2 | 0.77000 | 0.73600 | 0.03400 |
3 | 0.26400 | 0.03400 | 0.03400 |
4 | 0.03400 | 0.77000 | 0.96600 |
5 | 0.23000 | 0.26400 | 0.96600 |
6 | 0.73600 | 0.96600 | 0.96600 |
(2/3,1/3,1/3) + set click here to show and hide |
7 | 0.63267 | 0.56333 | 0.36733 |
8 | 0.43667 | 0.06933 | 0.36733 |
9 | 0.93067 | 0.36733 | 0.36733 |
10 | 0.70067 | 0.10333 | 0.29933 |
11 | 0.89667 | 0.59733 | 0.29933 |
12 | 0.40267 | 0.29933 | 0.29933 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.29933 | 0.89667 | 0.70067 |
14 | 0.10333 | 0.40267 | 0.70067 |
15 | 0.59733 | 0.70067 | 0.70067 |
16 | 0.36733 | 0.43667 | 0.63267 |
17 | 0.56333 | 0.93067 | 0.63267 |
18 | 0.06933 | 0.63267 | 0.63267 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.96600 | 0.23000 | 0.53400 |
20 | 0.77000 | 0.73600 | 0.53400 |
21 | 0.26400 | 0.03400 | 0.53400 |
22 | 0.03400 | 0.77000 | 0.46600 |
23 | 0.23000 | 0.26400 | 0.46600 |
24 | 0.73600 | 0.96600 | 0.46600 |
(2/3,1/3,5/6)' + set click here to show and hide |
25 | 0.63267 | 0.56333 | 0.86733 |
26 | 0.43667 | 0.06933 | 0.86733 |
27 | 0.93067 | 0.36733 | 0.86733 |
28 | 0.70067 | 0.10333 | 0.79933 |
29 | 0.89667 | 0.59733 | 0.79933 |
30 | 0.40267 | 0.29933 | 0.79933 |
(1/3,2/3,1/6)' + set click here to show and hide |
31 | 0.29933 | 0.89667 | 0.20067 |
32 | 0.10333 | 0.40267 | 0.20067 |
33 | 0.59733 | 0.70067 | 0.20067 |
34 | 0.36733 | 0.43667 | 0.13267 |
35 | 0.56333 | 0.93067 | 0.13267 |
36 | 0.06933 | 0.63267 | 0.13267 |
Set of atoms in the unit cell related by symmetry with the atom O1_2:
Atom | x | y | z |
1 | 0.83500 | 0.96900 | 0.16400 |
2 | 0.03100 | 0.86600 | 0.16400 |
3 | 0.13400 | 0.16500 | 0.16400 |
4 | 0.16500 | 0.03100 | 0.83600 |
5 | 0.96900 | 0.13400 | 0.83600 |
6 | 0.86600 | 0.83500 | 0.83600 |
(2/3,1/3,1/3) + set click here to show and hide |
7 | 0.50167 | 0.30233 | 0.49733 |
8 | 0.69767 | 0.19933 | 0.49733 |
9 | 0.80067 | 0.49833 | 0.49733 |
10 | 0.83167 | 0.36433 | 0.16933 |
11 | 0.63567 | 0.46733 | 0.16933 |
12 | 0.53267 | 0.16833 | 0.16933 |
(1/3,2/3,2/3) + set click here to show and hide |
13 | 0.16833 | 0.63567 | 0.83067 |
14 | 0.36433 | 0.53267 | 0.83067 |
15 | 0.46733 | 0.83167 | 0.83067 |
16 | 0.49833 | 0.69767 | 0.50267 |
17 | 0.30233 | 0.80067 | 0.50267 |
18 | 0.19933 | 0.50167 | 0.50267 |
(0,0,1/2)' + set click here to show and hide |
19 | 0.83500 | 0.96900 | 0.66400 |
20 | 0.03100 | 0.86600 | 0.66400 |
21 | 0.13400 | 0.16500 | 0.66400 |
22 | 0.16500 | 0.03100 | 0.33600 |
23 | 0.96900 | 0.13400 | 0.33600 |
24 | 0.86600 | 0.83500 | 0.33600 |
(2/3,1/3,5/6)' + set click here to show and hide |
25 | 0.50167 | 0.30233 | 0.99733 |
26 | 0.69767 | 0.19933 | 0.99733 |
27 | 0.80067 | 0.49833 | 0.99733 |
28 | 0.83167 | 0.36433 | 0.66933 |
29 | 0.63567 | 0.46733 | 0.66933 |
30 | 0.53267 | 0.16833 | 0.66933 |
(1/3,2/3,1/6)' + set click here to show and hide |
31 | 0.16833 | 0.63567 | 0.33067 |
32 | 0.36433 | 0.53267 | 0.33067 |
33 | 0.46733 | 0.83167 | 0.33067 |
34 | 0.49833 | 0.69767 | 0.00267 |
35 | 0.30233 | 0.80067 | 0.00267 |
36 | 0.19933 | 0.50167 | 0.00267 |
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