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,-z,+1	{ -1 \| 0 }
5	y,-x+y,-z,+1	{ -3⁺₀₀₁ \| 0 }
6	x-y,x,-z,+1	{ -3^-₀₀₁ \| 0 }
7	x-y,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
8	y,x,-z+1/2,-1	{ 2'₁₁₀ \| 0 0 1/2 }
9	-x,-x+y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
10	-x+y,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
11	-y,-x,z+1/2,-1	{ m'₁₁₀ \| 0 0 1/2 }
12	x,x-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
(1/3,2/3,2/3) + set click here to show and hide
13	x+1/3,y+2/3,z+2/3,+1	{ 1 \| 1/3 2/3 2/3 }
14	-y+1/3,x-y+2/3,z+2/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 2/3 }
15	-x+y+1/3,-x+2/3,z+2/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 2/3 }
16	-x+1/3,-y+2/3,-z+2/3,+1	{ -1 \| 1/3 2/3 2/3 }
17	y+1/3,-x+y+2/3,-z+2/3,+1	{ -3⁺₀₀₁ \| 1/3 2/3 2/3 }
18	x-y+1/3,x+2/3,-z+2/3,+1	{ -3^-₀₀₁ \| 1/3 2/3 2/3 }
19	x-y+1/3,-y+2/3,-z+1/6,-1	{ 2'₁₀₀ \| 1/3 2/3 1/6 }
20	y+1/3,x+2/3,-z+1/6,-1	{ 2'₁₁₀ \| 1/3 2/3 1/6 }
21	-x+1/3,-x+y+2/3,-z+1/6,-1	{ 2'₀₁₀ \| 1/3 2/3 1/6 }
22	-x+y+1/3,y+2/3,z+1/6,-1	{ m'₁₀₀ \| 1/3 2/3 1/6 }
23	-y+1/3,-x+2/3,z+1/6,-1	{ m'₁₁₀ \| 1/3 2/3 1/6 }
24	x+1/3,x-y+2/3,z+1/6,-1	{ m'₀₁₀ \| 1/3 2/3 1/6 }
(2/3,1/3,1/3) + set click here to show and hide
25	x+2/3,y+1/3,z+1/3,+1	{ 1 \| 2/3 1/3 1/3 }
26	-y+2/3,x-y+1/3,z+1/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 1/3 }
27	-x+y+2/3,-x+1/3,z+1/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 1/3 }
28	-x+2/3,-y+1/3,-z+1/3,+1	{ -1 \| 2/3 1/3 1/3 }
29	y+2/3,-x+y+1/3,-z+1/3,+1	{ -3⁺₀₀₁ \| 2/3 1/3 1/3 }
30	x-y+2/3,x+1/3,-z+1/3,+1	{ -3^-₀₀₁ \| 2/3 1/3 1/3 }
31	x-y+2/3,-y+1/3,-z+5/6,-1	{ 2'₁₀₀ \| 2/3 1/3 5/6 }
32	y+2/3,x+1/3,-z+5/6,-1	{ 2'₁₁₀ \| 2/3 1/3 5/6 }
33	-x+2/3,-x+y+1/3,-z+5/6,-1	{ 2'₀₁₀ \| 2/3 1/3 5/6 }
34	-x+y+2/3,y+1/3,z+5/6,-1	{ m'₁₀₀ \| 2/3 1/3 5/6 }
35	-y+2/3,-x+1/3,z+5/6,-1	{ m'₁₁₀ \| 2/3 1/3 5/6 }
36	x+2/3,x-y+1/3,z+5/6,-1	{ m'₀₁₀ \| 2/3 1/3 5/6 }

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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-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	-x,-y,-z,+1	-1
5	y,-x+y,-z,+1	-3⁺₀₀₁
6	x-y,x,-z,+1	-3^-₀₀₁
7	x-y,-y,-z,-1	2'₁₀₀
8	y,x,-z,-1	2'₁₁₀
9	-x,-x+y,-z,-1	2'₀₁₀
10	-x+y,y,z,-1	m'₁₀₀
11	-y,-x,z,-1	m'₁₁₀
12	x,x-y,z,-1	m'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.25000	6	0,0,m_z	0.0	0.0	-0.25	0.25
Mn1	Mn	0.00000	0.00000	0.00000	6	0,0,m_z	0.0	0.0	1.87	1.87

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.36720	0.00000	0.25000	18
O1	O	0.18140	0.02520	0.10780	36

[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	0.00000	0.00000	0.25000	0,0,m_z	0.00000	0.00000	-0.25000
2	0.00000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	-0.25000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.91667	0,0,m_z	0.00000	0.00000	-0.25000
4	0.33333	0.66667	0.41667	0,0,m_z	0.00000	0.00000	-0.25000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.58333	0,0,m_z	0.00000	0.00000	-0.25000
6	0.66667	0.33333	0.08333	0,0,m_z	0.00000	0.00000	-0.25000

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	1.87000
2	0.00000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	1.87000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	0,0,m_z	0.00000	0.00000	1.87000
4	0.33333	0.66667	0.16667	0,0,m_z	0.00000	0.00000	1.87000
(2/3,1/3,1/3) + set click here to show and hide
5	0.66667	0.33333	0.33333	0,0,m_z	0.00000	0.00000	1.87000
6	0.66667	0.33333	0.83333	0,0,m_z	0.00000	0.00000	1.87000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ca1:

Atom	x	y	z
1	0.36720	0.00000	0.25000
2	0.00000	0.36720	0.25000
3	0.63280	0.63280	0.25000
4	0.63280	0.00000	0.75000
5	0.00000	0.63280	0.75000
6	0.36720	0.36720	0.75000
(1/3,2/3,2/3) + set click here to show and hide
7	0.70053	0.66667	0.91667
8	0.33333	0.03387	0.91667
9	0.96613	0.29947	0.91667
10	0.96613	0.66667	0.41667
11	0.33333	0.29947	0.41667
12	0.70053	0.03387	0.41667
(2/3,1/3,1/3) + set click here to show and hide
13	0.03387	0.33333	0.58333
14	0.66667	0.70053	0.58333
15	0.29947	0.96613	0.58333
16	0.29947	0.33333	0.08333
17	0.66667	0.96613	0.08333
18	0.03387	0.70053	0.08333

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

Atom	x	y	z
1	0.18140	0.02520	0.10780
2	0.97480	0.15620	0.10780
3	0.84380	0.81860	0.10780
4	0.81860	0.97480	0.89220
5	0.02520	0.84380	0.89220
6	0.15620	0.18140	0.89220
7	0.15620	0.97480	0.39220
8	0.02520	0.18140	0.39220
9	0.81860	0.84380	0.39220
10	0.84380	0.02520	0.60780
11	0.97480	0.81860	0.60780
12	0.18140	0.15620	0.60780
(1/3,2/3,2/3) + set click here to show and hide
13	0.51473	0.69187	0.77447
14	0.30813	0.82287	0.77447
15	0.17713	0.48527	0.77447
16	0.15193	0.64147	0.55887
17	0.35853	0.51047	0.55887
18	0.48953	0.84807	0.55887
19	0.48953	0.64147	0.05887
20	0.35853	0.84807	0.05887
21	0.15193	0.51047	0.05887
22	0.17713	0.69187	0.27447
23	0.30813	0.48527	0.27447
24	0.51473	0.82287	0.27447
(2/3,1/3,1/3) + set click here to show and hide
25	0.84807	0.35853	0.44113
26	0.64147	0.48953	0.44113
27	0.51047	0.15193	0.44113
28	0.48527	0.30813	0.22553
29	0.69187	0.17713	0.22553
30	0.82287	0.51473	0.22553
31	0.82287	0.30813	0.72553
32	0.69187	0.51473	0.72553
33	0.48527	0.17713	0.72553
34	0.51047	0.35853	0.94113
35	0.64147	0.15193	0.94113
36	0.84807	0.48953	0.94113

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.25000	6	0,0,m_z	0.0	0.0	-0.25	0.25
Mn1	Mn	0.00000	0.00000	0.00000	6	0,0,m_z	0.0	0.0	1.87	1.87

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

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	2

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

Ca₃CoMnO₆ (#0.1140)

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

Ca3CoMnO6 (#0.1140)

Ca₃CoMnO₆ (#0.1140)