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+3/4,x+1/4,-z+1/4,+1	{ 2₁₁₀ \| 3/4 1/4 1/4 }
3	-y+3/4,-x+1/4,-z+1/4,+1	{ 2_1-10 \| 3/4 1/4 1/4 }
4	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
5	-y,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 0 1/2 1/2 }
6	y,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 0 1/2 1/2 }
7	-x+3/4,y+3/4,z+3/4,+1	{ m₁₀₀ \| 3/4 3/4 3/4 }
8	x+3/4,-y+3/4,z+3/4,+1	{ m₀₁₀ \| 3/4 3/4 3/4 }
9	y+1/4,-x+1/4,z+3/4,-1	{ 4'^-₀₀₁ \| 1/4 1/4 3/4 }
10	-y+1/4,x+1/4,z+3/4,-1	{ 4'⁺₀₀₁ \| 1/4 1/4 3/4 }
11	x+1/2,-y,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 0 1/2 }
12	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
13	-x+1/4,-y+3/4,-z+1/4,-1	{ -1' \| 1/4 3/4 1/4 }
14	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
15	y,x,z,-1	{ m'_1-10 \| 0 }
16	x+1/4,y+3/4,-z+1/4,-1	{ m'₀₀₁ \| 1/4 3/4 1/4 }
(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+3/4,x+3/4,-z+3/4,+1	{ 2₁₁₀ \| 3/4 3/4 3/4 }
19	-y+3/4,-x+3/4,-z+3/4,+1	{ 2_1-10 \| 3/4 3/4 3/4 }
20	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
21	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
22	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
23	-x+3/4,y+1/4,z+1/4,+1	{ m₁₀₀ \| 3/4 1/4 1/4 }
24	x+3/4,-y+1/4,z+1/4,+1	{ m₀₁₀ \| 3/4 1/4 1/4 }
25	y+1/4,-x+3/4,z+1/4,-1	{ 4'^-₀₀₁ \| 1/4 3/4 1/4 }
26	-y+1/4,x+3/4,z+1/4,-1	{ 4'⁺₀₀₁ \| 1/4 3/4 1/4 }
27	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
28	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
29	-x+1/4,-y+1/4,-z+3/4,-1	{ -1' \| 1/4 1/4 3/4 }
30	-y+1/2,-x,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }
31	y,x+1/2,z+1/2,-1	{ m'_1-10 \| 0 1/2 1/2 }
32	x+1/4,y+1/4,-z+3/4,-1	{ m'₀₀₁ \| 1/4 1/4 3/4 }
(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+1/4,x+1/4,-z+3/4,+1	{ 2₁₁₀ \| 1/4 1/4 3/4 }
35	-y+1/4,-x+1/4,-z+3/4,+1	{ 2_1-10 \| 1/4 1/4 3/4 }
36	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
37	-y+1/2,x+1/2,-z,+1	{ -4^-₀₀₁ \| 1/2 1/2 0 }
38	y+1/2,-x+1/2,-z,+1	{ -4⁺₀₀₁ \| 1/2 1/2 0 }
39	-x+1/4,y+3/4,z+1/4,+1	{ m₁₀₀ \| 1/4 3/4 1/4 }
40	x+1/4,-y+3/4,z+1/4,+1	{ m₀₁₀ \| 1/4 3/4 1/4 }
41	y+3/4,-x+1/4,z+1/4,-1	{ 4'^-₀₀₁ \| 3/4 1/4 1/4 }
42	-y+3/4,x+1/4,z+1/4,-1	{ 4'⁺₀₀₁ \| 3/4 1/4 1/4 }
43	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
44	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
45	-x+3/4,-y+3/4,-z+3/4,-1	{ -1' \| 3/4 3/4 3/4 }
46	-y,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 0 1/2 1/2 }
47	y+1/2,x,z+1/2,-1	{ m'_1-10 \| 1/2 0 1/2 }
48	x+3/4,y+3/4,-z+3/4,-1	{ m'₀₀₁ \| 3/4 3/4 3/4 }
(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+1/4,x+3/4,-z+1/4,+1	{ 2₁₁₀ \| 1/4 3/4 1/4 }
51	-y+1/4,-x+3/4,-z+1/4,+1	{ 2_1-10 \| 1/4 3/4 1/4 }
52	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
53	-y+1/2,x,-z+1/2,+1	{ -4^-₀₀₁ \| 1/2 0 1/2 }
54	y+1/2,-x,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 0 1/2 }
55	-x+1/4,y+1/4,z+3/4,+1	{ m₁₀₀ \| 1/4 1/4 3/4 }
56	x+1/4,-y+1/4,z+3/4,+1	{ m₀₁₀ \| 1/4 1/4 3/4 }
57	y+3/4,-x+3/4,z+3/4,-1	{ 4'^-₀₀₁ \| 3/4 3/4 3/4 }
58	-y+3/4,x+3/4,z+3/4,-1	{ 4'⁺₀₀₁ \| 3/4 3/4 3/4 }
59	x,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 0 1/2 1/2 }
60	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
61	-x+3/4,-y+1/4,-z+1/4,-1	{ -1' \| 3/4 1/4 1/4 }
62	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
63	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
64	x+3/4,y+1/4,-z+1/4,-1	{ m'₀₀₁ \| 3/4 1/4 1/4 }

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	y,x,-z,+1	2₁₁₀
3	-y,-x,-z,+1	2_1-10
4	-x,-y,z,+1	2₀₀₁
5	-y,x,-z,+1	-4^-₀₀₁
6	y,-x,-z,+1	-4⁺₀₀₁
7	-x,y,z,+1	m₁₀₀
8	x,-y,z,+1	m₀₁₀
9	y,-x,z,-1	4'^-₀₀₁
10	-y,x,z,-1	4'⁺₀₀₁
11	x,-y,-z,-1	2'₁₀₀
12	-x,y,-z,-1	2'₀₁₀
13	-x,-y,-z,-1	-1'
14	-y,-x,z,-1	m'₁₁₀
15	y,x,z,-1	m'_1-10
16	x,y,-z,-1	m'₀₀₁

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	8	0,0,m_z	0.0	0.0	3.71(2)	3.71

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Al1	Al	0.37500	0.37500	0.37500	16
O1	O	0.1409	0.1409	0.1409	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	0,0,m_z	0.00000	0.00000	3.71000
2	0.75000	0.25000	0.25000	0,0,-m_z	0.00000	0.00000	-3.71000
(0,1/2,1/2) + set click here to show and hide
3	0.00000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	3.71000
4	0.75000	0.75000	0.75000	0,0,-m_z	0.00000	0.00000	-3.71000
(1/2,0,1/2) + set click here to show and hide
5	0.50000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	3.71000
6	0.25000	0.25000	0.75000	0,0,-m_z	0.00000	0.00000	-3.71000
(1/2,1/2,0) + set click here to show and hide
7	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	3.71000
8	0.25000	0.75000	0.25000	0,0,-m_z	0.00000	0.00000	-3.71000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Al1:

Atom	x	y	z
1	0.37500	0.37500	0.37500
2	0.12500	0.62500	0.87500
3	0.62500	0.87500	0.12500
4	0.37500	0.12500	0.12500
(0,1/2,1/2) + set click here to show and hide
5	0.37500	0.87500	0.87500
6	0.12500	0.12500	0.37500
7	0.62500	0.37500	0.62500
8	0.37500	0.62500	0.62500
(1/2,0,1/2) + set click here to show and hide
9	0.87500	0.37500	0.87500
10	0.62500	0.62500	0.37500
11	0.12500	0.87500	0.62500
12	0.87500	0.12500	0.62500
(1/2,1/2,0) + set click here to show and hide
13	0.87500	0.87500	0.37500
14	0.62500	0.12500	0.87500
15	0.12500	0.37500	0.12500
16	0.87500	0.62500	0.12500

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

Atom	x	y	z
1	0.14090	0.14090	0.14090
2	0.89090	0.39090	0.10910
3	0.60910	0.10910	0.10910
4	0.35910	0.35910	0.14090
5	0.85910	0.64090	0.35910
6	0.14090	0.35910	0.35910
7	0.60910	0.89090	0.89090
8	0.89090	0.60910	0.89090
(0,1/2,1/2) + set click here to show and hide
9	0.14090	0.64090	0.64090
10	0.89090	0.89090	0.60910
11	0.60910	0.60910	0.60910
12	0.35910	0.85910	0.64090
13	0.85910	0.14090	0.85910
14	0.14090	0.85910	0.85910
15	0.60910	0.39090	0.39090
16	0.89090	0.10910	0.39090
(1/2,0,1/2) + set click here to show and hide
17	0.64090	0.14090	0.64090
18	0.39090	0.39090	0.60910
19	0.10910	0.10910	0.60910
20	0.85910	0.35910	0.64090
21	0.35910	0.64090	0.85910
22	0.64090	0.35910	0.85910
23	0.10910	0.89090	0.39090
24	0.39090	0.60910	0.39090
(1/2,1/2,0) + set click here to show and hide
25	0.64090	0.64090	0.14090
26	0.39090	0.89090	0.10910
27	0.10910	0.60910	0.10910
28	0.85910	0.85910	0.14090
29	0.35910	0.14090	0.35910
30	0.64090	0.85910	0.35910
31	0.10910	0.39090	0.89090
32	0.39090	0.10910	0.89090

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.00000	8	0,0,m_z	0.0	0.0	3.71(2)	3.71

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM5-	3	3	special	primary	1

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

MnAl₂O₄ (#0.462)

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

MnAl2O4 (#0.462)

MnAl₂O₄ (#0.462)