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 Ni1:
Atom | x | y | z | Symmetry constraints on M | Mx | My | Mz |
1 | 0.00000 | 0.00000 | 0.08350 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
2 | 0.00000 | 0.00000 | 0.91650 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
(1/6,2/3,5/6) + set click here to show and hide |
3 | 0.16667 | 0.66667 | 0.91683 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
4 | 0.16667 | 0.66667 | 0.74983 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
(1/3,1/3,2/3) + set click here to show and hide |
5 | 0.33333 | 0.33333 | 0.75017 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
6 | 0.33333 | 0.33333 | 0.58317 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
(1/2,0,1/2) + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.58350 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
8 | 0.50000 | 0.00000 | 0.41650 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
(2/3,2/3,1/3) + set click here to show and hide |
9 | 0.66667 | 0.66667 | 0.41683 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
10 | 0.66667 | 0.66667 | 0.24983 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
(5/6,1/3,1/6) + set click here to show and hide |
11 | 0.83333 | 0.33333 | 0.25017 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
12 | 0.83333 | 0.33333 | 0.08317 | mx,my,mz | 0.00000 | 2.00000 | 0.00000 |
(1/3,1/3,1/6)' + set click here to show and hide |
13 | 0.33333 | 0.33333 | 0.25017 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
14 | 0.33333 | 0.33333 | 0.08317 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.50000 | 0.00000 | 0.08350 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
16 | 0.50000 | 0.00000 | 0.91650 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
(2/3,2/3,5/6)' + set click here to show and hide |
17 | 0.66667 | 0.66667 | 0.91683 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
18 | 0.66667 | 0.66667 | 0.74983 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
(5/6,1/3,2/3)' + set click here to show and hide |
19 | 0.83333 | 0.33333 | 0.75017 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
20 | 0.83333 | 0.33333 | 0.58317 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
(0,0,1/2)' + set click here to show and hide |
21 | 0.00000 | 0.00000 | 0.58350 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
22 | 0.00000 | 0.00000 | 0.41650 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
(1/6,2/3,1/3)' + set click here to show and hide |
23 | 0.16667 | 0.66667 | 0.41683 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
24 | 0.16667 | 0.66667 | 0.24983 | -mx,-my,-mz | 0.00000 | -2.00000 | 0.00000 |
Non-magnetic atoms:
Set of atoms in the unit cell related by symmetry with the atom Ba1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.00000 |
(1/6,2/3,5/6) + set click here to show and hide |
2 | 0.16667 | 0.66667 | 0.83333 |
(1/3,1/3,2/3) + set click here to show and hide |
3 | 0.33333 | 0.33333 | 0.66667 |
(1/2,0,1/2) + set click here to show and hide |
4 | 0.50000 | 0.00000 | 0.50000 |
(2/3,2/3,1/3) + set click here to show and hide |
5 | 0.66667 | 0.66667 | 0.33333 |
(5/6,1/3,1/6) + set click here to show and hide |
6 | 0.83333 | 0.33333 | 0.16667 |
(1/3,1/3,1/6)' + set click here to show and hide |
7 | 0.33333 | 0.33333 | 0.16667 |
(1/2,0,0)' + set click here to show and hide |
8 | 0.50000 | 0.00000 | 0.00000 |
(2/3,2/3,5/6)' + set click here to show and hide |
9 | 0.66667 | 0.66667 | 0.83333 |
(5/6,1/3,2/3)' + set click here to show and hide |
10 | 0.83333 | 0.33333 | 0.66667 |
(0,0,1/2)' + set click here to show and hide |
11 | 0.00000 | 0.00000 | 0.50000 |
(1/6,2/3,1/3)' + set click here to show and hide |
12 | 0.16667 | 0.66667 | 0.33333 |
Set of atoms in the unit cell related by symmetry with the atom As1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.21350 |
2 | 0.00000 | 0.00000 | 0.78650 |
(1/6,2/3,5/6) + set click here to show and hide |
3 | 0.16667 | 0.66667 | 0.04683 |
4 | 0.16667 | 0.66667 | 0.61983 |
(1/3,1/3,2/3) + set click here to show and hide |
5 | 0.33333 | 0.33333 | 0.88017 |
6 | 0.33333 | 0.33333 | 0.45317 |
(1/2,0,1/2) + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.71350 |
8 | 0.50000 | 0.00000 | 0.28650 |
(2/3,2/3,1/3) + set click here to show and hide |
9 | 0.66667 | 0.66667 | 0.54683 |
10 | 0.66667 | 0.66667 | 0.11983 |
(5/6,1/3,1/6) + set click here to show and hide |
11 | 0.83333 | 0.33333 | 0.38017 |
12 | 0.83333 | 0.33333 | 0.95317 |
(1/3,1/3,1/6)' + set click here to show and hide |
13 | 0.33333 | 0.33333 | 0.38017 |
14 | 0.33333 | 0.33333 | 0.95317 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.50000 | 0.00000 | 0.21350 |
16 | 0.50000 | 0.00000 | 0.78650 |
(2/3,2/3,5/6)' + set click here to show and hide |
17 | 0.66667 | 0.66667 | 0.04683 |
18 | 0.66667 | 0.66667 | 0.61983 |
(5/6,1/3,2/3)' + set click here to show and hide |
19 | 0.83333 | 0.33333 | 0.88017 |
20 | 0.83333 | 0.33333 | 0.45317 |
(0,0,1/2)' + set click here to show and hide |
21 | 0.00000 | 0.00000 | 0.71350 |
22 | 0.00000 | 0.00000 | 0.28650 |
(1/6,2/3,1/3)' + set click here to show and hide |
23 | 0.16667 | 0.66667 | 0.54683 |
24 | 0.16667 | 0.66667 | 0.11983 |
Set of atoms in the unit cell related by symmetry with the atom O1:
Atom | x | y | z |
1 | 0.00000 | 0.00000 | 0.17750 |
2 | 0.00000 | 0.00000 | 0.82250 |
(1/6,2/3,5/6) + set click here to show and hide |
3 | 0.16667 | 0.66667 | 0.01083 |
4 | 0.16667 | 0.66667 | 0.65583 |
(1/3,1/3,2/3) + set click here to show and hide |
5 | 0.33333 | 0.33333 | 0.84417 |
6 | 0.33333 | 0.33333 | 0.48917 |
(1/2,0,1/2) + set click here to show and hide |
7 | 0.50000 | 0.00000 | 0.67750 |
8 | 0.50000 | 0.00000 | 0.32250 |
(2/3,2/3,1/3) + set click here to show and hide |
9 | 0.66667 | 0.66667 | 0.51083 |
10 | 0.66667 | 0.66667 | 0.15583 |
(5/6,1/3,1/6) + set click here to show and hide |
11 | 0.83333 | 0.33333 | 0.34417 |
12 | 0.83333 | 0.33333 | 0.98917 |
(1/3,1/3,1/6)' + set click here to show and hide |
13 | 0.33333 | 0.33333 | 0.34417 |
14 | 0.33333 | 0.33333 | 0.98917 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.50000 | 0.00000 | 0.17750 |
16 | 0.50000 | 0.00000 | 0.82250 |
(2/3,2/3,5/6)' + set click here to show and hide |
17 | 0.66667 | 0.66667 | 0.01083 |
18 | 0.66667 | 0.66667 | 0.65583 |
(5/6,1/3,2/3)' + set click here to show and hide |
19 | 0.83333 | 0.33333 | 0.84417 |
20 | 0.83333 | 0.33333 | 0.48917 |
(0,0,1/2)' + set click here to show and hide |
21 | 0.00000 | 0.00000 | 0.67750 |
22 | 0.00000 | 0.00000 | 0.32250 |
(1/6,2/3,1/3)' + set click here to show and hide |
23 | 0.16667 | 0.66667 | 0.51083 |
24 | 0.16667 | 0.66667 | 0.15583 |
Set of atoms in the unit cell related by symmetry with the atom O2_1:
Atom | x | y | z |
1 | 0.16400 | 0.32800 | 0.05650 |
2 | 0.83600 | 0.67200 | 0.94350 |
(1/6,2/3,5/6) + set click here to show and hide |
3 | 0.33067 | 0.99467 | 0.88983 |
4 | 0.00267 | 0.33867 | 0.77683 |
(1/3,1/3,2/3) + set click here to show and hide |
5 | 0.49733 | 0.66133 | 0.72317 |
6 | 0.16933 | 0.00533 | 0.61017 |
(1/2,0,1/2) + set click here to show and hide |
7 | 0.66400 | 0.32800 | 0.55650 |
8 | 0.33600 | 0.67200 | 0.44350 |
(2/3,2/3,1/3) + set click here to show and hide |
9 | 0.83067 | 0.99467 | 0.38983 |
10 | 0.50267 | 0.33867 | 0.27683 |
(5/6,1/3,1/6) + set click here to show and hide |
11 | 0.99733 | 0.66133 | 0.22317 |
12 | 0.66933 | 0.00533 | 0.11017 |
(1/3,1/3,1/6)' + set click here to show and hide |
13 | 0.49733 | 0.66133 | 0.22317 |
14 | 0.16933 | 0.00533 | 0.11017 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.66400 | 0.32800 | 0.05650 |
16 | 0.33600 | 0.67200 | 0.94350 |
(2/3,2/3,5/6)' + set click here to show and hide |
17 | 0.83067 | 0.99467 | 0.88983 |
18 | 0.50267 | 0.33867 | 0.77683 |
(5/6,1/3,2/3)' + set click here to show and hide |
19 | 0.99733 | 0.66133 | 0.72317 |
20 | 0.66933 | 0.00533 | 0.61017 |
(0,0,1/2)' + set click here to show and hide |
21 | 0.16400 | 0.32800 | 0.55650 |
22 | 0.83600 | 0.67200 | 0.44350 |
(1/6,2/3,1/3)' + set click here to show and hide |
23 | 0.33067 | 0.99467 | 0.38983 |
24 | 0.00267 | 0.33867 | 0.27683 |
Set of atoms in the unit cell related by symmetry with the atom O2_2:
Atom | x | y | z |
1 | 0.83600 | 0.00000 | 0.05650 |
2 | 0.16400 | 0.00000 | 0.94350 |
(1/6,2/3,5/6) + set click here to show and hide |
3 | 0.00267 | 0.66667 | 0.88983 |
4 | 0.33067 | 0.66667 | 0.77683 |
(1/3,1/3,2/3) + set click here to show and hide |
5 | 0.16933 | 0.33333 | 0.72317 |
6 | 0.49733 | 0.33333 | 0.61017 |
(1/2,0,1/2) + set click here to show and hide |
7 | 0.33600 | 0.00000 | 0.55650 |
8 | 0.66400 | 0.00000 | 0.44350 |
(2/3,2/3,1/3) + set click here to show and hide |
9 | 0.50267 | 0.66667 | 0.38983 |
10 | 0.83067 | 0.66667 | 0.27683 |
(5/6,1/3,1/6) + set click here to show and hide |
11 | 0.66933 | 0.33333 | 0.22317 |
12 | 0.99733 | 0.33333 | 0.11017 |
(1/3,1/3,1/6)' + set click here to show and hide |
13 | 0.16933 | 0.33333 | 0.22317 |
14 | 0.49733 | 0.33333 | 0.11017 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.33600 | 0.00000 | 0.05650 |
16 | 0.66400 | 0.00000 | 0.94350 |
(2/3,2/3,5/6)' + set click here to show and hide |
17 | 0.50267 | 0.66667 | 0.88983 |
18 | 0.83067 | 0.66667 | 0.77683 |
(5/6,1/3,2/3)' + set click here to show and hide |
19 | 0.66933 | 0.33333 | 0.72317 |
20 | 0.99733 | 0.33333 | 0.61017 |
(0,0,1/2)' + set click here to show and hide |
21 | 0.83600 | 0.00000 | 0.55650 |
22 | 0.16400 | 0.00000 | 0.44350 |
(1/6,2/3,1/3)' + set click here to show and hide |
23 | 0.00267 | 0.66667 | 0.38983 |
24 | 0.33067 | 0.66667 | 0.27683 |
Set of atoms in the unit cell related by symmetry with the atom O2_3:
Atom | x | y | z |
1 | 0.00000 | 0.67200 | 0.05650 |
2 | 0.00000 | 0.32800 | 0.94350 |
(1/6,2/3,5/6) + set click here to show and hide |
3 | 0.16667 | 0.33867 | 0.88983 |
4 | 0.16667 | 0.99467 | 0.77683 |
(1/3,1/3,2/3) + set click here to show and hide |
5 | 0.33333 | 0.00533 | 0.72317 |
6 | 0.33333 | 0.66133 | 0.61017 |
(1/2,0,1/2) + set click here to show and hide |
7 | 0.50000 | 0.67200 | 0.55650 |
8 | 0.50000 | 0.32800 | 0.44350 |
(2/3,2/3,1/3) + set click here to show and hide |
9 | 0.66667 | 0.33867 | 0.38983 |
10 | 0.66667 | 0.99467 | 0.27683 |
(5/6,1/3,1/6) + set click here to show and hide |
11 | 0.83333 | 0.00533 | 0.22317 |
12 | 0.83333 | 0.66133 | 0.11017 |
(1/3,1/3,1/6)' + set click here to show and hide |
13 | 0.33333 | 0.00533 | 0.22317 |
14 | 0.33333 | 0.66133 | 0.11017 |
(1/2,0,0)' + set click here to show and hide |
15 | 0.50000 | 0.67200 | 0.05650 |
16 | 0.50000 | 0.32800 | 0.94350 |
(2/3,2/3,5/6)' + set click here to show and hide |
17 | 0.66667 | 0.33867 | 0.88983 |
18 | 0.66667 | 0.99467 | 0.77683 |
(5/6,1/3,2/3)' + set click here to show and hide |
19 | 0.83333 | 0.00533 | 0.72317 |
20 | 0.83333 | 0.66133 | 0.61017 |
(0,0,1/2)' + set click here to show and hide |
21 | 0.00000 | 0.67200 | 0.55650 |
22 | 0.00000 | 0.32800 | 0.44350 |
(1/6,2/3,1/3)' + set click here to show and hide |
23 | 0.16667 | 0.33867 | 0.38983 |
24 | 0.16667 | 0.99467 | 0.27683 |
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