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 | 0.00000 | 0.00000 | 0.00000 | 0,my,0 | 0.00000 | 2.40000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
2 | 0.50000 | 0.50000 | 0.00000 | 0,my,0 | 0.00000 | 2.40000 | 0.00000 |
(0,1/2,1/2)' + set click here to show and hide |
3 | 0.00000 | 0.50000 | 0.50000 | 0,-my,0 | 0.00000 | -2.40000 | 0.00000 |
(1/2,0,1/2)' + set click here to show and hide |
4 | 0.50000 | 0.00000 | 0.50000 | 0,-my,0 | 0.00000 | -2.40000 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.25000 | 0.25000 | 0.25000 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
2 | 0.75000 | 0.75000 | 0.75000 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.75000 | 0.75000 | 0.25000 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
4 | 0.25000 | 0.25000 | 0.75000 | mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
(0,1/2,1/2)' + set click here to show and hide |
5 | 0.25000 | 0.75000 | 0.75000 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
6 | 0.75000 | 0.25000 | 0.25000 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
(1/2,0,1/2)' + set click here to show and hide |
7 | 0.75000 | 0.25000 | 0.75000 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
8 | 0.25000 | 0.75000 | 0.25000 | -mx,0,0 | 0.00000 | 0.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ni1:
Atom | x | y | z |
1 | 0.38290 | 0.38290 | 0.38290 |
2 | 0.61710 | 0.38290 | 0.61710 |
3 | 0.38290 | 0.11710 | 0.11710 |
4 | 0.61710 | 0.11710 | 0.88290 |
5 | 0.61710 | 0.61710 | 0.61710 |
6 | 0.38290 | 0.61710 | 0.38290 |
7 | 0.61710 | 0.88290 | 0.88290 |
8 | 0.38290 | 0.88290 | 0.11710 |
(1/2,1/2,0) + set click here to show and hide |
9 | 0.88290 | 0.88290 | 0.38290 |
10 | 0.11710 | 0.88290 | 0.61710 |
11 | 0.88290 | 0.61710 | 0.11710 |
12 | 0.11710 | 0.61710 | 0.88290 |
13 | 0.11710 | 0.11710 | 0.61710 |
14 | 0.88290 | 0.11710 | 0.38290 |
15 | 0.11710 | 0.38290 | 0.88290 |
16 | 0.88290 | 0.38290 | 0.11710 |
(0,1/2,1/2)' + set click here to show and hide |
17 | 0.38290 | 0.88290 | 0.88290 |
18 | 0.61710 | 0.88290 | 0.11710 |
19 | 0.38290 | 0.61710 | 0.61710 |
20 | 0.61710 | 0.61710 | 0.38290 |
21 | 0.61710 | 0.11710 | 0.11710 |
22 | 0.38290 | 0.11710 | 0.88290 |
23 | 0.61710 | 0.38290 | 0.38290 |
24 | 0.38290 | 0.38290 | 0.61710 |
(1/2,0,1/2)' + set click here to show and hide |
25 | 0.88290 | 0.38290 | 0.88290 |
26 | 0.11710 | 0.38290 | 0.11710 |
27 | 0.88290 | 0.11710 | 0.61710 |
28 | 0.11710 | 0.11710 | 0.38290 |
29 | 0.11710 | 0.61710 | 0.11710 |
30 | 0.88290 | 0.61710 | 0.88290 |
31 | 0.11710 | 0.88290 | 0.38290 |
32 | 0.88290 | 0.88290 | 0.61710 |
Set of atoms in the unit cell related by symmetry with the atom Ni2_1:
Atom | x | y | z |
1 | 0.00000 | 0.17450 | 0.17450 |
2 | 0.00000 | 0.17450 | 0.82550 |
3 | 0.00000 | 0.32550 | 0.32550 |
4 | 0.00000 | 0.32550 | 0.67450 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.50000 | 0.67450 | 0.17450 |
6 | 0.50000 | 0.67450 | 0.82550 |
7 | 0.50000 | 0.82550 | 0.32550 |
8 | 0.50000 | 0.82550 | 0.67450 |
(0,1/2,1/2)' + set click here to show and hide |
9 | 0.00000 | 0.67450 | 0.67450 |
10 | 0.00000 | 0.67450 | 0.32550 |
11 | 0.00000 | 0.82550 | 0.82550 |
12 | 0.00000 | 0.82550 | 0.17450 |
(1/2,0,1/2)' + set click here to show and hide |
13 | 0.50000 | 0.17450 | 0.67450 |
14 | 0.50000 | 0.17450 | 0.32550 |
15 | 0.50000 | 0.32550 | 0.82550 |
16 | 0.50000 | 0.32550 | 0.17450 |
Set of atoms in the unit cell related by symmetry with the atom Ni2_2:
Atom | x | y | z |
1 | 0.17450 | 0.00000 | 0.17450 |
2 | 0.82550 | 0.00000 | 0.82550 |
3 | 0.17450 | 0.50000 | 0.32550 |
4 | 0.82550 | 0.50000 | 0.67450 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.67450 | 0.50000 | 0.17450 |
6 | 0.32550 | 0.50000 | 0.82550 |
7 | 0.67450 | 0.00000 | 0.32550 |
8 | 0.32550 | 0.00000 | 0.67450 |
(0,1/2,1/2)' + set click here to show and hide |
9 | 0.17450 | 0.50000 | 0.67450 |
10 | 0.82550 | 0.50000 | 0.32550 |
11 | 0.17450 | 0.00000 | 0.82550 |
12 | 0.82550 | 0.00000 | 0.17450 |
(1/2,0,1/2)' + set click here to show and hide |
13 | 0.67450 | 0.00000 | 0.67450 |
14 | 0.32550 | 0.00000 | 0.32550 |
15 | 0.67450 | 0.50000 | 0.82550 |
16 | 0.32550 | 0.50000 | 0.17450 |
Set of atoms in the unit cell related by symmetry with the atom Ni2_3:
Atom | x | y | z |
1 | 0.17450 | 0.17450 | 0.00000 |
2 | 0.82550 | 0.17450 | 0.00000 |
3 | 0.17450 | 0.32550 | 0.50000 |
4 | 0.82550 | 0.32550 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
5 | 0.67450 | 0.67450 | 0.00000 |
6 | 0.32550 | 0.67450 | 0.00000 |
7 | 0.67450 | 0.82550 | 0.50000 |
8 | 0.32550 | 0.82550 | 0.50000 |
(0,1/2,1/2)' + set click here to show and hide |
9 | 0.17450 | 0.67450 | 0.50000 |
10 | 0.82550 | 0.67450 | 0.50000 |
11 | 0.17450 | 0.82550 | 0.00000 |
12 | 0.82550 | 0.82550 | 0.00000 |
(1/2,0,1/2)' + set click here to show and hide |
13 | 0.67450 | 0.17450 | 0.50000 |
14 | 0.32550 | 0.17450 | 0.50000 |
15 | 0.67450 | 0.32550 | 0.00000 |
16 | 0.32550 | 0.32550 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom P1_1:
Atom | x | y | z |
1 | 0.26470 | 0.00000 | 0.00000 |
2 | 0.73530 | 0.00000 | 0.00000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.76470 | 0.50000 | 0.00000 |
4 | 0.23530 | 0.50000 | 0.00000 |
(0,1/2,1/2)' + set click here to show and hide |
5 | 0.26470 | 0.50000 | 0.50000 |
6 | 0.73530 | 0.50000 | 0.50000 |
(1/2,0,1/2)' + set click here to show and hide |
7 | 0.76470 | 0.00000 | 0.50000 |
8 | 0.23530 | 0.00000 | 0.50000 |
Set of atoms in the unit cell related by symmetry with the atom P1_2:
Atom | x | y | z |
1 | 0.00000 | 0.26470 | 0.00000 |
2 | 0.00000 | 0.23530 | 0.50000 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.76470 | 0.00000 |
4 | 0.50000 | 0.73530 | 0.50000 |
(0,1/2,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.76470 | 0.50000 |
6 | 0.00000 | 0.73530 | 0.00000 |
(1/2,0,1/2)' + set click here to show and hide |
7 | 0.50000 | 0.26470 | 0.50000 |
8 | 0.50000 | 0.23530 | 0.00000 |
Set of atoms in the unit cell related by symmetry with the atom P1_3:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.26470 |
2 | 0.00000 | 0.00000 | 0.73530 |
(1/2,1/2,0) + set click here to show and hide |
3 | 0.50000 | 0.50000 | 0.26470 |
4 | 0.50000 | 0.50000 | 0.73530 |
(0,1/2,1/2)' + set click here to show and hide |
5 | 0.00000 | 0.50000 | 0.76470 |
6 | 0.00000 | 0.50000 | 0.23530 |
(1/2,0,1/2)' + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.76470 |
8 | 0.50000 | 0.00000 | 0.23530 |
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