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-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	x-y,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
5	y,x,-z+1/2,+1	{ 2₁₁₀ \| 0 0 1/2 }
6	-x,-x+y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
7	-x,-y,-z,+1	{ -1 \| 0 }
8	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
9	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
10	-x+y,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
11	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
12	x,x-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(2/3,1/3,1/3) + set click here to show and hide
13	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
14	-y+2/3,x-y+1/3,z+1/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 1/3 }
15	-x+y+2/3,-x+1/3,z+1/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 1/3 }
16	x-y+2/3,-y+1/3,-z+5/6,+1	{ 2₁₀₀ \| 2/3 1/3 5/6 }
17	y+2/3,x+1/3,-z+5/6,+1	{ 2₁₁₀ \| 2/3 1/3 5/6 }
18	-x+2/3,-x+y+1/3,-z+5/6,+1	{ 2₀₁₀ \| 2/3 1/3 5/6 }
19	-x+2/3,-y+1/3,-z+1/3,+1	{ -1 \| 2/3 1/3 1/3 }
20	y+2/3,-x+y+1/3,-z+1/3,+1	{ -3⁺₀₀₁ \| 2/3 1/3 1/3 }
21	x-y+2/3,x+1/3,-z+1/3,+1	{ -3^-₀₀₁ \| 2/3 1/3 1/3 }
22	-x+y+2/3,y+1/3,z+5/6,+1	{ m₁₀₀ \| 2/3 1/3 5/6 }
23	-y+2/3,-x+1/3,z+5/6,+1	{ m₁₁₀ \| 2/3 1/3 5/6 }
24	x+2/3,x-y+1/3,z+5/6,+1	{ m₀₁₀ \| 2/3 1/3 5/6 }
(1/3,2/3,2/3) + set click here to show and hide
25	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
26	-y+1/3,x-y+2/3,z+2/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 2/3 }
27	-x+y+1/3,-x+2/3,z+2/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 2/3 }
28	x-y+1/3,-y+2/3,-z+1/6,+1	{ 2₁₀₀ \| 1/3 2/3 1/6 }
29	y+1/3,x+2/3,-z+1/6,+1	{ 2₁₁₀ \| 1/3 2/3 1/6 }
30	-x+1/3,-x+y+2/3,-z+1/6,+1	{ 2₀₁₀ \| 1/3 2/3 1/6 }
31	-x+1/3,-y+2/3,-z+2/3,+1	{ -1 \| 1/3 2/3 2/3 }
32	y+1/3,-x+y+2/3,-z+2/3,+1	{ -3⁺₀₀₁ \| 1/3 2/3 2/3 }
33	x-y+1/3,x+2/3,-z+2/3,+1	{ -3^-₀₀₁ \| 1/3 2/3 2/3 }
34	-x+y+1/3,y+2/3,z+1/6,+1	{ m₁₀₀ \| 1/3 2/3 1/6 }
35	-y+1/3,-x+2/3,z+1/6,+1	{ m₁₁₀ \| 1/3 2/3 1/6 }
36	x+1/3,x-y+2/3,z+1/6,+1	{ m₀₁₀ \| 1/3 2/3 1/6 }
(0,0,1/2)' + set click here to show and hide
37	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
38	-y,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 1/2 }
39	-x+y,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 0 0 1/2 }
40	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
41	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
42	-x,-x+y,-z,-1	{ 2'₀₁₀ \| 0 }
43	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
44	y,-x+y,-z+1/2,-1	{ -3'⁺₀₀₁ \| 0 0 1/2 }
45	x-y,x,-z+1/2,-1	{ -3'^-₀₀₁ \| 0 0 1/2 }
46	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
47	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
48	x,x-y,z,-1	{ m'₀₁₀ \| 0 }
(2/3,1/3,5/6)' + set click here to show and hide
49	x+2/3,y+1/3,z+5/6,-1	{ 1' \| 2/3 1/3 5/6 }
50	-y+2/3,x-y+1/3,z+5/6,-1	{ 3'⁺₀₀₁ \| 2/3 1/3 5/6 }
51	-x+y+2/3,-x+1/3,z+5/6,-1	{ 3'^-₀₀₁ \| 2/3 1/3 5/6 }
52	x-y+2/3,-y+1/3,-z+1/3,-1	{ 2'₁₀₀ \| 2/3 1/3 1/3 }
53	y+2/3,x+1/3,-z+1/3,-1	{ 2'₁₁₀ \| 2/3 1/3 1/3 }
54	-x+2/3,-x+y+1/3,-z+1/3,-1	{ 2'₀₁₀ \| 2/3 1/3 1/3 }
55	-x+2/3,-y+1/3,-z+5/6,-1	{ -1' \| 2/3 1/3 5/6 }
56	y+2/3,-x+y+1/3,-z+5/6,-1	{ -3'⁺₀₀₁ \| 2/3 1/3 5/6 }
57	x-y+2/3,x+1/3,-z+5/6,-1	{ -3'^-₀₀₁ \| 2/3 1/3 5/6 }
58	-x+y+2/3,y+1/3,z+1/3,-1	{ m'₁₀₀ \| 2/3 1/3 1/3 }
59	-y+2/3,-x+1/3,z+1/3,-1	{ m'₁₁₀ \| 2/3 1/3 1/3 }
60	x+2/3,x-y+1/3,z+1/3,-1	{ m'₀₁₀ \| 2/3 1/3 1/3 }
(1/3,2/3,1/6)' + set click here to show and hide
61	x+1/3,y+2/3,z+1/6,-1	{ 1' \| 1/3 2/3 1/6 }
62	-y+1/3,x-y+2/3,z+1/6,-1	{ 3'⁺₀₀₁ \| 1/3 2/3 1/6 }
63	-x+y+1/3,-x+2/3,z+1/6,-1	{ 3'^-₀₀₁ \| 1/3 2/3 1/6 }
64	x-y+1/3,-y+2/3,-z+2/3,-1	{ 2'₁₀₀ \| 1/3 2/3 2/3 }
65	y+1/3,x+2/3,-z+2/3,-1	{ 2'₁₁₀ \| 1/3 2/3 2/3 }
66	-x+1/3,-x+y+2/3,-z+2/3,-1	{ 2'₀₁₀ \| 1/3 2/3 2/3 }
67	-x+1/3,-y+2/3,-z+1/6,-1	{ -1' \| 1/3 2/3 1/6 }
68	y+1/3,-x+y+2/3,-z+1/6,-1	{ -3'⁺₀₀₁ \| 1/3 2/3 1/6 }
69	x-y+1/3,x+2/3,-z+1/6,-1	{ -3'^-₀₀₁ \| 1/3 2/3 1/6 }
70	-x+y+1/3,y+2/3,z+2/3,-1	{ m'₁₀₀ \| 1/3 2/3 2/3 }
71	-y+1/3,-x+2/3,z+2/3,-1	{ m'₁₁₀ \| 1/3 2/3 2/3 }
72	x+1/3,x-y+2/3,z+2/3,-1	{ m'₀₁₀ \| 1/3 2/3 2/3 }

[Hide]

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-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	x-y,-y,-z,+1	2₁₀₀
5	y,x,-z,+1	2₁₁₀
6	-x,-x+y,-z,+1	2₀₁₀
7	-x,-y,-z,+1	-1
8	y,-x+y,-z,+1	-3⁺₀₀₁
9	x-y,x,-z,+1	-3^-₀₀₁
10	-x+y,y,z,+1	m₁₀₀
11	-y,-x,z,+1	m₁₁₀
12	x,x-y,z,+1	m₀₁₀
1' + set click here to show and hide
13	x,y,z,-1	1'
14	-y,x-y,z,-1	3'⁺₀₀₁
15	-x+y,-x,z,-1	3'^-₀₀₁
16	x-y,-y,-z,-1	2'₁₀₀
17	y,x,-z,-1	2'₁₁₀
18	-x,-x+y,-z,-1	2'₀₁₀
19	-x,-y,-z,-1	-1'
20	y,-x+y,-z,-1	-3'⁺₀₀₁
21	x-y,x,-z,-1	-3'^-₀₀₁
22	-x+y,y,z,-1	m'₁₀₀
23	-y,-x,z,-1	m'₁₁₀
24	x,x-y,z,-1	m'₀₁₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.50000	0.00000	0.00000	18	m_x,2m_x,m_z	0.0	0.0	-1.85(5)	1.85

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ga1	Ga	0.00000	0.00000	0.00000	6
C1	C	0.00000	0.00000	0.25000	6

[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	0.50000	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-1.85000
2	0.00000	0.50000	0.00000	-2m_x,-m_x,m_z	0.00000	0.00000	-1.85000
3	0.50000	0.50000	0.00000	m_x,-m_x,m_z	0.00000	0.00000	-1.85000
(2/3,1/3,1/3) + set click here to show and hide
4	0.16667	0.33333	0.33333	m_x,2m_x,m_z	0.00000	0.00000	-1.85000
5	0.66667	0.83333	0.33333	-2m_x,-m_x,m_z	0.00000	0.00000	-1.85000
6	0.16667	0.83333	0.33333	m_x,-m_x,m_z	0.00000	0.00000	-1.85000
(1/3,2/3,2/3) + set click here to show and hide
7	0.83333	0.66667	0.66667	m_x,2m_x,m_z	0.00000	0.00000	-1.85000
8	0.33333	0.16667	0.66667	-2m_x,-m_x,m_z	0.00000	0.00000	-1.85000
9	0.83333	0.16667	0.66667	m_x,-m_x,m_z	0.00000	0.00000	-1.85000
(0,0,1/2)' + set click here to show and hide
10	0.50000	0.00000	0.50000	-m_x,-2m_x,-m_z	0.00000	0.00000	1.85000
11	0.00000	0.50000	0.50000	2m_x,m_x,-m_z	0.00000	0.00000	1.85000
12	0.50000	0.50000	0.50000	-m_x,m_x,-m_z	0.00000	0.00000	1.85000
(2/3,1/3,5/6)' + set click here to show and hide
13	0.16667	0.33333	0.83333	-m_x,-2m_x,-m_z	0.00000	0.00000	1.85000
14	0.66667	0.83333	0.83333	2m_x,m_x,-m_z	0.00000	0.00000	1.85000
15	0.16667	0.83333	0.83333	-m_x,m_x,-m_z	0.00000	0.00000	1.85000
(1/3,2/3,1/6)' + set click here to show and hide
16	0.83333	0.66667	0.16667	-m_x,-2m_x,-m_z	0.00000	0.00000	1.85000
17	0.33333	0.16667	0.16667	2m_x,m_x,-m_z	0.00000	0.00000	1.85000
18	0.83333	0.16667	0.16667	-m_x,m_x,-m_z	0.00000	0.00000	1.85000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ga1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.33333
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50000
(2/3,1/3,5/6)' + set click here to show and hide
5	0.66667	0.33333	0.83333
(1/3,2/3,1/6)' + set click here to show and hide
6	0.33333	0.66667	0.16667

Set of atoms in the unit cell related by symmetry with the atom C1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.58333
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.91667
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.75000
(2/3,1/3,5/6)' + set click here to show and hide
5	0.66667	0.33333	0.08333
(1/3,2/3,1/6)' + set click here to show and hide
6	0.33333	0.66667	0.41667

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.50000	0.00000	0.00000	18	m_x,2m_x,m_z	0.0	0.0	-1.85(5)	1.85

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mR4+	3	3	special	primary	1
mR2+	1	1	general	secondary	1	yes

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

Mn₃GaC (#1.855)

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

Mn3GaC (#1.855)

Mn₃GaC (#1.855)