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	x+3/4,z+3/4,-y,+1	{ 4^-₁₀₀ \| 3/4 3/4 0 }
3	x+3/4,-z,y+3/4,+1	{ 4⁺₁₀₀ \| 3/4 0 3/4 }
4	x,-y+3/4,-z+3/4,+1	{ 2₁₀₀ \| 0 3/4 3/4 }
5	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
6	-x+3/4,-z+3/4,y,+1	{ -4^-₁₀₀ \| 3/4 3/4 0 }
7	-x+3/4,z+1/2,-y+1/4,+1	{ -4⁺₁₀₀ \| 3/4 1/2 1/4 }
8	-x+1/2,y+1/4,z+3/4,+1	{ m₁₀₀ \| 1/2 1/4 3/4 }
9	-x+1/2,z+1/4,y+3/4,-1	{ 2'₀₁₁ \| 1/2 1/4 3/4 }
10	-x+1/2,-z+1/2,-y,-1	{ 2'_01-1 \| 1/2 1/2 0 }
11	-x+3/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 3/4 1/2 1/4 }
12	-x+3/4,-y+3/4,z,-1	{ 2'₀₀₁ \| 3/4 3/4 0 }
13	x,-z+1/4,-y+1/4,-1	{ m'₀₁₁ \| 0 1/4 1/4 }
14	x,z+1/2,y+1/2,-1	{ m'_01-1 \| 0 1/2 1/2 }
15	x+3/4,-y,z+3/4,-1	{ m'₀₁₀ \| 3/4 0 3/4 }
16	x+3/4,y+3/4,-z,-1	{ m'₀₀₁ \| 3/4 3/4 0 }
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17	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
18	x+3/4,z+1/4,-y+1/2,+1	{ 4^-₁₀₀ \| 3/4 1/4 1/2 }
19	x+3/4,-z+1/2,y+1/4,+1	{ 4⁺₁₀₀ \| 3/4 1/2 1/4 }
20	x,-y+1/4,-z+1/4,+1	{ 2₁₀₀ \| 0 1/4 1/4 }
21	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
22	-x+3/4,-z+1/4,y+1/2,+1	{ -4^-₁₀₀ \| 3/4 1/4 1/2 }
23	-x+3/4,z,-y+3/4,+1	{ -4⁺₁₀₀ \| 3/4 0 3/4 }
24	-x+1/2,y+3/4,z+1/4,+1	{ m₁₀₀ \| 1/2 3/4 1/4 }
25	-x+1/2,z+3/4,y+1/4,-1	{ 2'₀₁₁ \| 1/2 3/4 1/4 }
26	-x+1/2,-z,-y+1/2,-1	{ 2'_01-1 \| 1/2 0 1/2 }
27	-x+3/4,y,-z+3/4,-1	{ 2'₀₁₀ \| 3/4 0 3/4 }
28	-x+3/4,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 3/4 1/4 1/2 }
29	x,-z+3/4,-y+3/4,-1	{ m'₀₁₁ \| 0 3/4 3/4 }
30	x,z,y,-1	{ m'_01-1 \| 0 }
31	x+3/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 3/4 1/2 1/4 }
32	x+3/4,y+1/4,-z+1/2,-1	{ m'₀₀₁ \| 3/4 1/4 1/2 }
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33	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
34	x+1/4,z+3/4,-y+1/2,+1	{ 4^-₁₀₀ \| 1/4 3/4 1/2 }
35	x+1/4,-z,y+1/4,+1	{ 4⁺₁₀₀ \| 1/4 0 1/4 }
36	x+1/2,-y+3/4,-z+1/4,+1	{ 2₁₀₀ \| 1/2 3/4 1/4 }
37	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
38	-x+1/4,-z+3/4,y+1/2,+1	{ -4^-₁₀₀ \| 1/4 3/4 1/2 }
39	-x+1/4,z+1/2,-y+3/4,+1	{ -4⁺₁₀₀ \| 1/4 1/2 3/4 }
40	-x,y+1/4,z+1/4,+1	{ m₁₀₀ \| 0 1/4 1/4 }
41	-x,z+1/4,y+1/4,-1	{ 2'₀₁₁ \| 0 1/4 1/4 }
42	-x,-z+1/2,-y+1/2,-1	{ 2'_01-1 \| 0 1/2 1/2 }
43	-x+1/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 1/4 1/2 3/4 }
44	-x+1/4,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 1/4 3/4 1/2 }
45	x+1/2,-z+1/4,-y+3/4,-1	{ m'₀₁₁ \| 1/2 1/4 3/4 }
46	x+1/2,z+1/2,y,-1	{ m'_01-1 \| 1/2 1/2 0 }
47	x+1/4,-y,z+1/4,-1	{ m'₀₁₀ \| 1/4 0 1/4 }
48	x+1/4,y+3/4,-z+1/2,-1	{ m'₀₀₁ \| 1/4 3/4 1/2 }
(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	x+1/4,z+1/4,-y,+1	{ 4^-₁₀₀ \| 1/4 1/4 0 }
51	x+1/4,-z+1/2,y+3/4,+1	{ 4⁺₁₀₀ \| 1/4 1/2 3/4 }
52	x+1/2,-y+1/4,-z+3/4,+1	{ 2₁₀₀ \| 1/2 1/4 3/4 }
53	-x,-y,-z,+1	{ -1 \| 0 }
54	-x+1/4,-z+1/4,y,+1	{ -4^-₁₀₀ \| 1/4 1/4 0 }
55	-x+1/4,z,-y+1/4,+1	{ -4⁺₁₀₀ \| 1/4 0 1/4 }
56	-x,y+3/4,z+3/4,+1	{ m₁₀₀ \| 0 3/4 3/4 }
57	-x,z+3/4,y+3/4,-1	{ 2'₀₁₁ \| 0 3/4 3/4 }
58	-x,-z,-y,-1	{ 2'_01-1 \| 0 }
59	-x+1/4,y,-z+1/4,-1	{ 2'₀₁₀ \| 1/4 0 1/4 }
60	-x+1/4,-y+1/4,z,-1	{ 2'₀₀₁ \| 1/4 1/4 0 }
61	x+1/2,-z+3/4,-y+1/4,-1	{ m'₀₁₁ \| 1/2 3/4 1/4 }
62	x+1/2,z,y+1/2,-1	{ m'_01-1 \| 1/2 0 1/2 }
63	x+1/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 1/4 1/2 3/4 }
64	x+1/4,y+1/4,-z,-1	{ m'₀₀₁ \| 1/4 1/4 0 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,z,-y,+1	4^-₁₀₀
3	x,-z,y,+1	4⁺₁₀₀
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	-x,-z,y,+1	-4^-₁₀₀
7	-x,z,-y,+1	-4⁺₁₀₀
8	-x,y,z,+1	m₁₀₀
9	-x,z,y,-1	2'₀₁₁
10	-x,-z,-y,-1	2'_01-1
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	x,-z,-y,-1	m'₀₁₁
14	x,z,y,-1	m'_01-1
15	x,-y,z,-1	m'₀₁₀
16	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	0.4	16	m_x,m_z,m_z	3.12	3.12
Co1	Co	0.00000	0.00000	0.00000	0.6	16	m_x,m_z,m_z	3.12	3.12
Co2	Co	0.37500	0.37500	0.37500	1.	8	m_x,0,0	-2.98	2.98

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1	O	0.238	0.238	0.238	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_z,m_z	3.12000	0.00000	0.00000
2	0.75000	0.75000	0.00000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
3	0.75000	0.00000	0.75000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
4	0.00000	0.75000	0.75000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.50000	0.50000	m_x,m_z,m_z	3.12000	0.00000	0.00000
6	0.75000	0.25000	0.50000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
7	0.75000	0.50000	0.25000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
8	0.00000	0.25000	0.25000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.50000	m_x,m_z,m_z	3.12000	0.00000	0.00000
10	0.25000	0.75000	0.50000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
11	0.25000	0.00000	0.25000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
12	0.50000	0.75000	0.25000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.50000	0.50000	0.00000	m_x,m_z,m_z	3.12000	0.00000	0.00000
14	0.25000	0.25000	0.00000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
15	0.25000	0.50000	0.75000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
16	0.50000	0.25000	0.75000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_z,m_z	3.12000	0.00000	0.00000
2	0.75000	0.75000	0.00000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
3	0.75000	0.00000	0.75000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
4	0.00000	0.75000	0.75000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.50000	0.50000	m_x,m_z,m_z	3.12000	0.00000	0.00000
6	0.75000	0.25000	0.50000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
7	0.75000	0.50000	0.25000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
8	0.00000	0.25000	0.25000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.50000	m_x,m_z,m_z	3.12000	0.00000	0.00000
10	0.25000	0.75000	0.50000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
11	0.25000	0.00000	0.25000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
12	0.50000	0.75000	0.25000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.50000	0.50000	0.00000	m_x,m_z,m_z	3.12000	0.00000	0.00000
14	0.25000	0.25000	0.00000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
15	0.25000	0.50000	0.75000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
16	0.50000	0.25000	0.75000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.37500	0.37500	0.37500	m_x,0,0	-2.98000	0.00000	0.00000
2	0.12500	0.12500	0.62500	m_x,0,0	-2.98000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.37500	0.87500	0.87500	m_x,0,0	-2.98000	0.00000	0.00000
4	0.12500	0.62500	0.12500	m_x,0,0	-2.98000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.87500	0.37500	0.87500	m_x,0,0	-2.98000	0.00000	0.00000
6	0.62500	0.12500	0.12500	m_x,0,0	-2.98000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.87500	0.87500	0.37500	m_x,0,0	-2.98000	0.00000	0.00000
8	0.62500	0.62500	0.62500	m_x,0,0	-2.98000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.23800	0.23800	0.23800
2	0.98800	0.98800	0.76200
3	0.98800	0.76200	0.98800
4	0.23800	0.51200	0.51200
5	0.26200	0.26200	0.76200
6	0.51200	0.51200	0.23800
7	0.51200	0.73800	0.01200
8	0.26200	0.48800	0.98800
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9	0.23800	0.73800	0.73800
10	0.98800	0.48800	0.26200
11	0.98800	0.26200	0.48800
12	0.23800	0.01200	0.01200
13	0.26200	0.76200	0.26200
14	0.51200	0.01200	0.73800
15	0.51200	0.23800	0.51200
16	0.26200	0.98800	0.48800
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17	0.73800	0.23800	0.73800
18	0.48800	0.98800	0.26200
19	0.48800	0.76200	0.48800
20	0.73800	0.51200	0.01200
21	0.76200	0.26200	0.26200
22	0.01200	0.51200	0.73800
23	0.01200	0.73800	0.51200
24	0.76200	0.48800	0.48800
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25	0.73800	0.73800	0.23800
26	0.48800	0.48800	0.76200
27	0.48800	0.26200	0.98800
28	0.73800	0.01200	0.51200
29	0.76200	0.76200	0.76200
30	0.01200	0.01200	0.23800
31	0.01200	0.23800	0.01200
32	0.76200	0.98800	0.98800

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	0.4	16	m_x,m_z,m_z	3.12	3.12
Co1	Co	0.00000	0.00000	0.00000	0.6	16	m_x,m_z,m_z	3.12	3.12
Co2	Co	0.37500	0.37500	0.37500	1.	8	m_x,0,0	-2.98	2.98

[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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_z,m_z	3.12000	0.00000	0.00000
2	0.75000	0.75000	0.00000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
3	0.75000	0.00000	0.75000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
4	0.00000	0.75000	0.75000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.50000	0.50000	m_x,m_z,m_z	3.12000	0.00000	0.00000
6	0.75000	0.25000	0.50000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
7	0.75000	0.50000	0.25000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
8	0.00000	0.25000	0.25000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.50000	m_x,m_z,m_z	3.12000	0.00000	0.00000
10	0.25000	0.75000	0.50000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
11	0.25000	0.00000	0.25000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
12	0.50000	0.75000	0.25000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.50000	0.50000	0.00000	m_x,m_z,m_z	3.12000	0.00000	0.00000
14	0.25000	0.25000	0.00000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
15	0.25000	0.50000	0.75000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
16	0.50000	0.25000	0.75000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_z,m_z	3.12000	0.00000	0.00000
2	0.75000	0.75000	0.00000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
3	0.75000	0.00000	0.75000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
4	0.00000	0.75000	0.75000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.50000	0.50000	m_x,m_z,m_z	3.12000	0.00000	0.00000
6	0.75000	0.25000	0.50000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
7	0.75000	0.50000	0.25000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
8	0.00000	0.25000	0.25000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.50000	m_x,m_z,m_z	3.12000	0.00000	0.00000
10	0.25000	0.75000	0.50000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
11	0.25000	0.00000	0.25000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
12	0.50000	0.75000	0.25000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.50000	0.50000	0.00000	m_x,m_z,m_z	3.12000	0.00000	0.00000
14	0.25000	0.25000	0.00000	m_x,m_z,-m_z	3.12000	0.00000	0.00000
15	0.25000	0.50000	0.75000	m_x,-m_z,m_z	3.12000	0.00000	0.00000
16	0.50000	0.25000	0.75000	m_x,-m_z,-m_z	3.12000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.37500	0.37500	0.37500	m_x,0,0	-2.98000	0.00000	0.00000
2	0.12500	0.12500	0.62500	m_x,0,0	-2.98000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
3	0.37500	0.87500	0.87500	m_x,0,0	-2.98000	0.00000	0.00000
4	0.12500	0.62500	0.12500	m_x,0,0	-2.98000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
5	0.87500	0.37500	0.87500	m_x,0,0	-2.98000	0.00000	0.00000
6	0.62500	0.12500	0.12500	m_x,0,0	-2.98000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
7	0.87500	0.87500	0.37500	m_x,0,0	-2.98000	0.00000	0.00000
8	0.62500	0.62500	0.62500	m_x,0,0	-2.98000	0.00000	0.00000

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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

Mn_0.8Co_2.2O₄ (#0.889)

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

Mn0.8Co2.2O4 (#0.889)

Mn_0.8Co_2.2O₄ (#0.889)