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 | 0.00000 | 0.00000 | 0.19460 | mx,-mx,0 | 2.87000 | -2.87000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.80540 | mx,-mx,0 | 2.87000 | -2.87000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.19460 | mx,-mx,0 | 2.87000 | -2.87000 | 0.00000 |
4 | 0.00000 | 0.50000 | 0.80540 | mx,-mx,0 | 2.87000 | -2.87000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.19460 | -mx,mx,0 | -2.87000 | 2.87000 | 0.00000 |
6 | 0.50000 | 0.50000 | 0.80540 | -mx,mx,0 | -2.87000 | 2.87000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.19460 | -mx,mx,0 | -2.87000 | 2.87000 | 0.00000 |
8 | 0.00000 | 0.00000 | 0.80540 | -mx,mx,0 | -2.87000 | 2.87000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.39600 | mx,-mx,0 | -2.73000 | 2.73000 | 0.00000 |
2 | 0.50000 | 0.00000 | 0.60400 | mx,-mx,0 | -2.73000 | 2.73000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.39600 | mx,-mx,0 | -2.73000 | 2.73000 | 0.00000 |
4 | 0.00000 | 0.50000 | 0.60400 | mx,-mx,0 | -2.73000 | 2.73000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.39600 | -mx,mx,0 | 2.73000 | -2.73000 | 0.00000 |
6 | 0.50000 | 0.50000 | 0.60400 | -mx,mx,0 | 2.73000 | -2.73000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.39600 | -mx,mx,0 | 2.73000 | -2.73000 | 0.00000 |
8 | 0.00000 | 0.00000 | 0.60400 | -mx,mx,0 | 2.73000 | -2.73000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Pb1:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.09410 |
2 | 0.25000 | 0.75000 | 0.90590 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.75000 | 0.75000 | 0.09410 |
4 | 0.75000 | 0.25000 | 0.90590 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.25000 | 0.75000 | 0.09410 |
6 | 0.25000 | 0.25000 | 0.90590 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.09410 |
8 | 0.75000 | 0.75000 | 0.90590 |
Set of atoms in the unit cell related by symmetry with the atom Pb2:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.30290 |
2 | 0.25000 | 0.75000 | 0.69710 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.75000 | 0.75000 | 0.30290 |
4 | 0.75000 | 0.25000 | 0.69710 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.25000 | 0.75000 | 0.30290 |
6 | 0.25000 | 0.25000 | 0.69710 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.30290 |
8 | 0.75000 | 0.75000 | 0.69710 |
Set of atoms in the unit cell related by symmetry with the atom Pb3:
Atom | x | y | z |
1 | 0.25000 | 0.25000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.75000 | 0.75000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
3 | 0.25000 | 0.75000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.75000 | 0.25000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom Ti1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.19460 |
2 | 0.50000 | 0.00000 | 0.80540 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.19460 |
4 | 0.00000 | 0.50000 | 0.80540 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.19460 |
6 | 0.50000 | 0.50000 | 0.80540 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.19460 |
8 | 0.00000 | 0.00000 | 0.80540 |
Set of atoms in the unit cell related by symmetry with the atom Ti2:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.39600 |
2 | 0.50000 | 0.00000 | 0.60400 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.39600 |
4 | 0.00000 | 0.50000 | 0.60400 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.39600 |
6 | 0.50000 | 0.50000 | 0.60400 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.39600 |
8 | 0.00000 | 0.00000 | 0.60400 |
Set of atoms in the unit cell related by symmetry with the atom Cl1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.50000 | 0.50000 | 0.00000 |
(0,1/2,0)' + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.50000 | 0.00000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.25000 | 0.16600 |
2 | 0.25000 | 0.00000 | 0.83400 |
3 | 0.50000 | 0.75000 | 0.83400 |
4 | 0.75000 | 0.50000 | 0.16600 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.50000 | 0.75000 | 0.16600 |
6 | 0.75000 | 0.50000 | 0.83400 |
7 | 0.00000 | 0.25000 | 0.83400 |
8 | 0.25000 | 0.00000 | 0.16600 |
(0,1/2,0)' + set click here to show and hide |
9 | 0.00000 | 0.75000 | 0.16600 |
10 | 0.25000 | 0.50000 | 0.83400 |
11 | 0.50000 | 0.25000 | 0.83400 |
12 | 0.75000 | 0.00000 | 0.16600 |
(1/2,0,0)' + set click here to show and hide |
13 | 0.50000 | 0.25000 | 0.16600 |
14 | 0.75000 | 0.00000 | 0.83400 |
15 | 0.00000 | 0.75000 | 0.83400 |
16 | 0.25000 | 0.50000 | 0.16600 |
Set of atoms in the unit cell related by symmetry with the atom O2:
Atom | x | y | z |
1 | 0.03200 | 0.25000 | 0.39190 |
2 | 0.25000 | 0.96800 | 0.60810 |
3 | 0.46800 | 0.75000 | 0.39190 |
4 | 0.75000 | 0.53200 | 0.60810 |
5 | 0.46800 | 0.75000 | 0.60810 |
6 | 0.75000 | 0.53200 | 0.39190 |
7 | 0.03200 | 0.25000 | 0.60810 |
8 | 0.25000 | 0.96800 | 0.39190 |
(1/2,1/2,0) + set click here to show and hide |
9 | 0.53200 | 0.75000 | 0.39190 |
10 | 0.75000 | 0.46800 | 0.60810 |
11 | 0.96800 | 0.25000 | 0.39190 |
12 | 0.25000 | 0.03200 | 0.60810 |
13 | 0.96800 | 0.25000 | 0.60810 |
14 | 0.25000 | 0.03200 | 0.39190 |
15 | 0.53200 | 0.75000 | 0.60810 |
16 | 0.75000 | 0.46800 | 0.39190 |
(0,1/2,0)' + set click here to show and hide |
17 | 0.03200 | 0.75000 | 0.39190 |
18 | 0.25000 | 0.46800 | 0.60810 |
19 | 0.46800 | 0.25000 | 0.39190 |
20 | 0.75000 | 0.03200 | 0.60810 |
21 | 0.46800 | 0.25000 | 0.60810 |
22 | 0.75000 | 0.03200 | 0.39190 |
23 | 0.03200 | 0.75000 | 0.60810 |
24 | 0.25000 | 0.46800 | 0.39190 |
(1/2,0,0)' + set click here to show and hide |
25 | 0.53200 | 0.25000 | 0.39190 |
26 | 0.75000 | 0.96800 | 0.60810 |
27 | 0.96800 | 0.75000 | 0.39190 |
28 | 0.25000 | 0.53200 | 0.60810 |
29 | 0.96800 | 0.75000 | 0.60810 |
30 | 0.25000 | 0.53200 | 0.39190 |
31 | 0.53200 | 0.25000 | 0.60810 |
32 | 0.75000 | 0.96800 | 0.39190 |
Set of atoms in the unit cell related by symmetry with the atom O3:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.28810 |
2 | 0.50000 | 0.00000 | 0.71190 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.28810 |
4 | 0.00000 | 0.50000 | 0.71190 |
(0,1/2,0)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.28810 |
6 | 0.50000 | 0.50000 | 0.71190 |
(1/2,0,0)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.28810 |
8 | 0.00000 | 0.00000 | 0.71190 |
Set of atoms in the unit cell related by symmetry with the atom O4:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.50000 | 0.50000 | 0.50000 |
(0,1/2,0)' + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.50000 |
(1/2,0,0)' + set click here to show and hide |
4 | 0.50000 | 0.00000 | 0.50000 |
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