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,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
3	y+3/4,x+1/4,-z+1/4,+1	{ 2₁₁₀ \| 3/4 1/4 1/4 }
4	-y+1/4,-x+1/4,-z+1/4,+1	{ 2_1-10 \| 1/4 1/4 1/4 }
5	y+3/4,-x+1/4,-z+3/4,+1	{ -4⁺₀₀₁ \| 3/4 1/4 3/4 }
6	-y+1/4,x+1/4,-z+3/4,+1	{ -4^-₀₀₁ \| 1/4 1/4 3/4 }
7	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
8	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
9	-y+1/4,x+3/4,z+1/4,-1	{ 4'⁺₀₀₁ \| 1/4 3/4 1/4 }
10	y+3/4,-x+3/4,z+1/4,-1	{ 4'^-₀₀₁ \| 3/4 3/4 1/4 }
11	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
12	-x+1/2,y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }
13	-x,-y,-z,-1	{ -1' \| 0 }
14	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
15	-y+3/4,-x+1/4,z+1/4,-1	{ m'₁₁₀ \| 3/4 1/4 1/4 }
16	y+1/4,x+1/4,z+1/4,-1	{ m'_1-10 \| 1/4 1/4 1/4 }
(1/2,1/2,1/2) + set click here to show and hide
17	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
18	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
19	y+1/4,x+3/4,-z+3/4,+1	{ 2₁₁₀ \| 1/4 3/4 3/4 }
20	-y+3/4,-x+3/4,-z+3/4,+1	{ 2_1-10 \| 3/4 3/4 3/4 }
21	y+1/4,-x+3/4,-z+1/4,+1	{ -4⁺₀₀₁ \| 1/4 3/4 1/4 }
22	-y+3/4,x+3/4,-z+1/4,+1	{ -4^-₀₀₁ \| 3/4 3/4 1/4 }
23	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
24	x+1/2,-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
25	-y+3/4,x+1/4,z+3/4,-1	{ 4'⁺₀₀₁ \| 3/4 1/4 3/4 }
26	y+1/4,-x+1/4,z+3/4,-1	{ 4'^-₀₀₁ \| 1/4 1/4 3/4 }
27	x,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
28	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
29	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
30	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
31	-y+1/4,-x+3/4,z+3/4,-1	{ m'₁₁₀ \| 1/4 3/4 3/4 }
32	y+3/4,x+3/4,z+3/4,-1	{ m'_1-10 \| 3/4 3/4 3/4 }

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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	-x,-y,z,+1	2₀₀₁
3	y,x,-z,+1	2₁₁₀
4	-y,-x,-z,+1	2_1-10
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	x,y,-z,-1	m'₀₀₁
15	-y,-x,z,-1	m'₁₁₀
16	y,x,z,-1	m'_1-10

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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	0.25000	0.37500	8	0,0,m_z	0.0	0.0	2.4(1)	2.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ca1	Ca	0.00000	0.25000	0.55107	16
O1	O	0.00000	0.25000	0.45562	16
O2	O	0.21004	0.46004	0.12500	16

[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	0.25000	0.37500	0,0,m_z	0.00000	0.00000	2.40000
2	0.00000	0.25000	0.87500	0,0,-m_z	0.00000	0.00000	-2.40000
3	0.00000	0.75000	0.62500	0,0,-m_z	0.00000	0.00000	-2.40000
4	0.50000	0.25000	0.62500	0,0,m_z	0.00000	0.00000	2.40000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.75000	0.87500	0,0,m_z	0.00000	0.00000	2.40000
6	0.50000	0.75000	0.37500	0,0,-m_z	0.00000	0.00000	-2.40000
7	0.50000	0.25000	0.12500	0,0,-m_z	0.00000	0.00000	-2.40000
8	0.00000	0.75000	0.12500	0,0,m_z	0.00000	0.00000	2.40000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.25000	0.55107
2	0.00000	0.25000	0.69893
3	0.00000	0.25000	0.19893
4	0.00000	0.25000	0.05107
5	0.00000	0.75000	0.80107
6	0.50000	0.25000	0.44893
7	0.00000	0.75000	0.44893
8	0.50000	0.25000	0.80107
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.75000	0.05107
10	0.50000	0.75000	0.19893
11	0.50000	0.75000	0.69893
12	0.50000	0.75000	0.55107
13	0.50000	0.25000	0.30107
14	0.00000	0.75000	0.94893
15	0.50000	0.25000	0.94893
16	0.00000	0.75000	0.30107

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

Atom	x	y	z
1	0.00000	0.25000	0.45562
2	0.00000	0.25000	0.79438
3	0.00000	0.25000	0.29438
4	0.00000	0.25000	0.95562
5	0.00000	0.75000	0.70562
6	0.50000	0.25000	0.54438
7	0.00000	0.75000	0.54438
8	0.50000	0.25000	0.70562
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.75000	0.95562
10	0.50000	0.75000	0.29438
11	0.50000	0.75000	0.79438
12	0.50000	0.75000	0.45562
13	0.50000	0.25000	0.20562
14	0.00000	0.75000	0.04438
15	0.50000	0.25000	0.04438
16	0.00000	0.75000	0.20562

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.21004	0.46004	0.12500
2	0.78996	0.03996	0.12500
3	0.21004	0.03996	0.62500
4	0.78996	0.46004	0.62500
5	0.78996	0.96004	0.37500
6	0.21004	0.53996	0.37500
7	0.78996	0.53996	0.87500
8	0.21004	0.96004	0.87500
(1/2,1/2,1/2) + set click here to show and hide
9	0.71004	0.96004	0.62500
10	0.28996	0.53996	0.62500
11	0.71004	0.53996	0.12500
12	0.28996	0.96004	0.12500
13	0.28996	0.46004	0.87500
14	0.71004	0.03996	0.87500
15	0.28996	0.03996	0.37500
16	0.71004	0.46004	0.37500

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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	0.25000	0.37500	8	0,0,m_z	0.0	0.0	2.4(1)	2.40

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

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4-	1	1	primary	1

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

Ca₂MnO₄ (#0.211)

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

Ca2MnO4 (#0.211)

Ca₂MnO₄ (#0.211)