MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	y+1/4,-x+1/2,z+3/4,+1	{ 4^-₀₀₁ \| 1/4 1/2 3/4 }
3	-y+1/2,x+1/4,z+3/4,+1	{ 4⁺₀₀₁ \| 1/2 1/4 3/4 }
4	-x+3/4,-y+3/4,z,+1	{ 2₀₀₁ \| 3/4 3/4 0 }
5	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
6	-y+1/4,x+1/2,-z+3/4,+1	{ -4^-₀₀₁ \| 1/4 1/2 3/4 }
7	y,-x+3/4,-z+3/4,+1	{ -4⁺₀₀₁ \| 0 3/4 3/4 }
8	x+1/4,y+3/4,-z+1/2,+1	{ m₀₀₁ \| 1/4 3/4 1/2 }
9	y+3/4,x+1/4,-z+1/2,-1	{ 2'₁₁₀ \| 3/4 1/4 1/2 }
10	-y,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 0 1/2 1/2 }
11	x+1/2,-y+1/4,-z+3/4,-1	{ 2'₁₀₀ \| 1/2 1/4 3/4 }
12	-x+3/4,y,-z+3/4,-1	{ 2'₀₁₀ \| 3/4 0 3/4 }
13	-y+3/4,-x+3/4,z,-1	{ m'₁₁₀ \| 3/4 3/4 0 }
14	y,x,z,-1	{ m'_1-10 \| 0 }
15	-x,y+3/4,z+3/4,-1	{ m'₁₀₀ \| 0 3/4 3/4 }
16	x+3/4,-y,z+3/4,-1	{ m'₀₁₀ \| 3/4 0 3/4 }
(0,1/2,1/2) + set click here to show and hide
17	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
18	y+1/4,-x,z+1/4,+1	{ 4^-₀₀₁ \| 1/4 0 1/4 }
19	-y+1/2,x+3/4,z+1/4,+1	{ 4⁺₀₀₁ \| 1/2 3/4 1/4 }
20	-x+3/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 1/4 1/2 }
21	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
22	-y+1/4,x,-z+1/4,+1	{ -4^-₀₀₁ \| 1/4 0 1/4 }
23	y,-x+1/4,-z+1/4,+1	{ -4⁺₀₀₁ \| 0 1/4 1/4 }
24	x+1/4,y+1/4,-z,+1	{ m₀₀₁ \| 1/4 1/4 0 }
25	y+3/4,x+3/4,-z,-1	{ 2'₁₁₀ \| 3/4 3/4 0 }
26	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
27	x+1/2,-y+3/4,-z+1/4,-1	{ 2'₁₀₀ \| 1/2 3/4 1/4 }
28	-x+3/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 3/4 1/2 1/4 }
29	-y+3/4,-x+1/4,z+1/2,-1	{ m'₁₁₀ \| 3/4 1/4 1/2 }
30	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
31	-x,y+1/4,z+1/4,-1	{ m'₁₀₀ \| 0 1/4 1/4 }
32	x+3/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 3/4 1/2 1/4 }
(1/2,0,1/2) + set click here to show and hide
33	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
34	y+3/4,-x+1/2,z+1/4,+1	{ 4^-₀₀₁ \| 3/4 1/2 1/4 }
35	-y,x+1/4,z+1/4,+1	{ 4⁺₀₀₁ \| 0 1/4 1/4 }
36	-x+1/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 3/4 1/2 }
37	-x,-y,-z,+1	{ -1 \| 0 }
38	-y+3/4,x+1/2,-z+1/4,+1	{ -4^-₀₀₁ \| 3/4 1/2 1/4 }
39	y+1/2,-x+3/4,-z+1/4,+1	{ -4⁺₀₀₁ \| 1/2 3/4 1/4 }
40	x+3/4,y+3/4,-z,+1	{ m₀₀₁ \| 3/4 3/4 0 }
41	y+1/4,x+1/4,-z,-1	{ 2'₁₁₀ \| 1/4 1/4 0 }
42	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
43	x,-y+1/4,-z+1/4,-1	{ 2'₁₀₀ \| 0 1/4 1/4 }
44	-x+1/4,y,-z+1/4,-1	{ 2'₀₁₀ \| 1/4 0 1/4 }
45	-y+1/4,-x+3/4,z+1/2,-1	{ m'₁₁₀ \| 1/4 3/4 1/2 }
46	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
47	-x+1/2,y+3/4,z+1/4,-1	{ m'₁₀₀ \| 1/2 3/4 1/4 }
48	x+1/4,-y,z+1/4,-1	{ m'₀₁₀ \| 1/4 0 1/4 }
(1/2,1/2,0) + set click here to show and hide
49	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
50	y+3/4,-x,z+3/4,+1	{ 4^-₀₀₁ \| 3/4 0 3/4 }
51	-y,x+3/4,z+3/4,+1	{ 4⁺₀₀₁ \| 0 3/4 3/4 }
52	-x+1/4,-y+1/4,z,+1	{ 2₀₀₁ \| 1/4 1/4 0 }
53	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
54	-y+3/4,x,-z+3/4,+1	{ -4^-₀₀₁ \| 3/4 0 3/4 }
55	y+1/2,-x+1/4,-z+3/4,+1	{ -4⁺₀₀₁ \| 1/2 1/4 3/4 }
56	x+3/4,y+1/4,-z+1/2,+1	{ m₀₀₁ \| 3/4 1/4 1/2 }
57	y+1/4,x+3/4,-z+1/2,-1	{ 2'₁₁₀ \| 1/4 3/4 1/2 }
58	-y+1/2,-x,-z+1/2,-1	{ 2'_1-10 \| 1/2 0 1/2 }
59	x,-y+3/4,-z+3/4,-1	{ 2'₁₀₀ \| 0 3/4 3/4 }
60	-x+1/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 1/4 1/2 3/4 }
61	-y+1/4,-x+1/4,z,-1	{ m'₁₁₀ \| 1/4 1/4 0 }
62	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
63	-x+1/2,y+1/4,z+3/4,-1	{ m'₁₀₀ \| 1/2 1/4 3/4 }
64	x+1/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 1/4 1/2 3/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	y,-x,z,+1	4^-₀₀₁
3	-y,x,z,+1	4⁺₀₀₁
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-y,x,-z,+1	-4^-₀₀₁
7	y,-x,-z,+1	-4⁺₀₀₁
8	x,y,-z,+1	m₀₀₁
9	y,x,-z,-1	2'₁₁₀
10	-y,-x,-z,-1	2'_1-10
11	x,-y,-z,-1	2'₁₀₀
12	-x,y,-z,-1	2'₀₁₀
13	-y,-x,z,-1	m'₁₁₀
14	y,x,z,-1	m'_1-10
15	-x,y,z,-1	m'₁₀₀
16	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.12500	0.12500	0.12500	1.	8	0,0,m_z	2.41(3)	2.41
Ni1	Ni	0.50000	0.50000	0.50000	0.5	16	m_x,m_x,m_z	-3.96(4)	3.96
Fe2	Fe	0.50000	0.50000	0.50000	0.5	16	m_x,m_x,m_z	-3.96	3.96

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1	O	0.25630	0.25630	0.25630	1.	32

[Show all atoms in unit cell and their moment relations]

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	M_x	M_y	M_z
1	0.12500	0.12500	0.12500	0,0,m_z	0.00000	0.00000	2.41000
2	0.37500	0.37500	0.87500	0,0,m_z	0.00000	0.00000	2.41000
(0,1/2,1/2) + set click here to show and hide
3	0.12500	0.62500	0.62500	0,0,m_z	0.00000	0.00000	2.41000
4	0.37500	0.87500	0.37500	0,0,m_z	0.00000	0.00000	2.41000
(1/2,0,1/2) + set click here to show and hide
5	0.62500	0.12500	0.62500	0,0,m_z	0.00000	0.00000	2.41000
6	0.87500	0.37500	0.37500	0,0,m_z	0.00000	0.00000	2.41000
(1/2,1/2,0) + set click here to show and hide
7	0.62500	0.62500	0.12500	0,0,m_z	0.00000	0.00000	2.41000
8	0.87500	0.87500	0.87500	0,0,m_z	0.00000	0.00000	2.41000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.50000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
2	0.75000	0.00000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
3	0.00000	0.75000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
4	0.25000	0.25000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(0,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.00000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
6	0.75000	0.50000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
7	0.00000	0.25000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
8	0.25000	0.75000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(1/2,0,1/2) + set click here to show and hide
9	0.00000	0.50000	0.00000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
10	0.25000	0.00000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
11	0.50000	0.75000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
12	0.75000	0.25000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(1/2,1/2,0) + set click here to show and hide
13	0.00000	0.00000	0.50000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
14	0.25000	0.50000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
15	0.50000	0.25000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
16	0.75000	0.75000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.50000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
2	0.75000	0.00000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
3	0.00000	0.75000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
4	0.25000	0.25000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(0,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.00000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
6	0.75000	0.50000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
7	0.00000	0.25000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
8	0.25000	0.75000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(1/2,0,1/2) + set click here to show and hide
9	0.00000	0.50000	0.00000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
10	0.25000	0.00000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
11	0.50000	0.75000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
12	0.75000	0.25000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(1/2,1/2,0) + set click here to show and hide
13	0.00000	0.00000	0.50000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
14	0.25000	0.50000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
15	0.50000	0.25000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
16	0.75000	0.75000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.25630	0.25630	0.25630
2	0.50630	0.24370	0.00630
3	0.24370	0.50630	0.00630
4	0.49370	0.49370	0.25630
5	0.24370	0.74370	0.24370
6	0.99370	0.75630	0.49370
7	0.25630	0.49370	0.49370
8	0.50630	0.00630	0.24370
(0,1/2,1/2) + set click here to show and hide
9	0.25630	0.75630	0.75630
10	0.50630	0.74370	0.50630
11	0.24370	0.00630	0.50630
12	0.49370	0.99370	0.75630
13	0.24370	0.24370	0.74370
14	0.99370	0.25630	0.99370
15	0.25630	0.99370	0.99370
16	0.50630	0.50630	0.74370
(1/2,0,1/2) + set click here to show and hide
17	0.75630	0.25630	0.75630
18	0.00630	0.24370	0.50630
19	0.74370	0.50630	0.50630
20	0.99370	0.49370	0.75630
21	0.74370	0.74370	0.74370
22	0.49370	0.75630	0.99370
23	0.75630	0.49370	0.99370
24	0.00630	0.00630	0.74370
(1/2,1/2,0) + set click here to show and hide
25	0.75630	0.75630	0.25630
26	0.00630	0.74370	0.00630
27	0.74370	0.00630	0.00630
28	0.99370	0.99370	0.25630
29	0.74370	0.24370	0.24370
30	0.49370	0.25630	0.49370
31	0.75630	0.99370	0.49370
32	0.00630	0.50630	0.24370

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.12500	0.12500	0.12500	1.	8	0,0,m_z	2.41(3)	2.41
Ni1	Ni	0.50000	0.50000	0.50000	0.5	16	m_x,m_x,m_z	-3.96(4)	3.96
Fe2	Fe	0.50000	0.50000	0.50000	0.5	16	m_x,m_x,m_z	-3.96	3.96

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.12500	0.12500	0,0,m_z	0.00000	0.00000	2.41000
2	0.37500	0.37500	0.87500	0,0,m_z	0.00000	0.00000	2.41000
(0,1/2,1/2) + set click here to show and hide
3	0.12500	0.62500	0.62500	0,0,m_z	0.00000	0.00000	2.41000
4	0.37500	0.87500	0.37500	0,0,m_z	0.00000	0.00000	2.41000
(1/2,0,1/2) + set click here to show and hide
5	0.62500	0.12500	0.62500	0,0,m_z	0.00000	0.00000	2.41000
6	0.87500	0.37500	0.37500	0,0,m_z	0.00000	0.00000	2.41000
(1/2,1/2,0) + set click here to show and hide
7	0.62500	0.62500	0.12500	0,0,m_z	0.00000	0.00000	2.41000
8	0.87500	0.87500	0.87500	0,0,m_z	0.00000	0.00000	2.41000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.50000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
2	0.75000	0.00000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
3	0.00000	0.75000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
4	0.25000	0.25000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(0,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.00000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
6	0.75000	0.50000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
7	0.00000	0.25000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
8	0.25000	0.75000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(1/2,0,1/2) + set click here to show and hide
9	0.00000	0.50000	0.00000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
10	0.25000	0.00000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
11	0.50000	0.75000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
12	0.75000	0.25000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(1/2,1/2,0) + set click here to show and hide
13	0.00000	0.00000	0.50000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
14	0.25000	0.50000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
15	0.50000	0.25000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
16	0.75000	0.75000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.50000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
2	0.75000	0.00000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
3	0.00000	0.75000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
4	0.25000	0.25000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(0,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.00000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
6	0.75000	0.50000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
7	0.00000	0.25000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
8	0.25000	0.75000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(1/2,0,1/2) + set click here to show and hide
9	0.00000	0.50000	0.00000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
10	0.25000	0.00000	0.75000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
11	0.50000	0.75000	0.75000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
12	0.75000	0.25000	0.00000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000
(1/2,1/2,0) + set click here to show and hide
13	0.00000	0.00000	0.50000	m_x,m_x,m_z	0.00000	0.00000	-3.96000
14	0.25000	0.50000	0.25000	m_x,-m_x,m_z	0.00000	0.00000	-3.96000
15	0.50000	0.25000	0.25000	-m_x,m_x,m_z	0.00000	0.00000	-3.96000
16	0.75000	0.75000	0.50000	-m_x,-m_x,m_z	0.00000	0.00000	-3.96000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM4+	3	3	special	primary	5

MAGNDATA: A Collection of magnetic structures with portable cif-type files

NiFe₂O₄ (#0.713)

MAGNDATA: A Collection of magnetic structures with portable cif-type files

NiFe2O4 (#0.713)

NiFe₂O₄ (#0.713)