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

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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	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

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.25000	0.25000	0.25000	0.9675	8	0,0,m_z	0.0	0.0	0.96(3)	0.96
Mn2	Mn	0.00000	0.00000	0.00000	0.924	4	0,0,m_z	0.0	0.0	2.43(4)	2.43

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Mn1	Mn	0.25000	0.25000	0.25000	0.0325	8
Co3	Co	0.00000	0.00000	0.00000	0.076	4
Si1	Si	0.50000	0.50000	0.50000	1.	4

[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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	0.96000
2	0.25000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	0.96000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.75000	0,0,m_z	0.00000	0.00000	0.96000
4	0.25000	0.25000	0.75000	0,0,m_z	0.00000	0.00000	0.96000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.75000	0,0,m_z	0.00000	0.00000	0.96000
6	0.75000	0.75000	0.75000	0,0,m_z	0.00000	0.00000	0.96000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	0.96000
8	0.75000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	0.96000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

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	2.43000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	2.43000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	2.43000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	2.43000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Mn1:

Atom	x	y	z
1	0.25000	0.25000	0.25000
2	0.25000	0.75000	0.25000
(0,1/2,1/2) + set click here to show and hide
3	0.25000	0.75000	0.75000
4	0.25000	0.25000	0.75000
(1/2,0,1/2) + set click here to show and hide
5	0.75000	0.25000	0.75000
6	0.75000	0.75000	0.75000
(1/2,1/2,0) + set click here to show and hide
7	0.75000	0.75000	0.25000
8	0.75000	0.25000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Co3:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
4	0.50000	0.50000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Si1:

Atom	x	y	z
1	0.50000	0.50000	0.50000
(0,1/2,1/2) + set click here to show and hide
2	0.50000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.00000	0.50000	0.00000
(1/2,1/2,0) + set click here to show and hide
4	0.00000	0.00000	0.50000

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.25000	0.25000	0.25000	0.9675	8	0,0,m_z	0.0	0.0	0.96(3)	0.96
Mn2	Mn	0.00000	0.00000	0.00000	0.924	4	0,0,m_z	0.0	0.0	2.43(4)	2.43

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM4+	3	3	special	primary	2

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

Co₂MnSi (#0.554)

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

Co2MnSi (#0.554)

Co₂MnSi (#0.554)