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+1/4,x+3/4,z+1/4,+1	{ 4⁺₀₀₁ \| 1/4 3/4 1/4 }
3	y+3/4,-x+3/4,z+1/4,+1	{ 4^-₀₀₁ \| 3/4 3/4 1/4 }
4	-x,-y+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	y+3/4,-x+1/4,-z+3/4,+1	{ -4⁺₀₀₁ \| 3/4 1/4 3/4 }
7	-y+1/4,x+1/4,-z+3/4,+1	{ -4^-₀₀₁ \| 1/4 1/4 3/4 }
8	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
9	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
10	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
11	y+3/4,x+1/4,-z+3/4,-1	{ 2'₁₁₀ \| 3/4 1/4 3/4 }
12	-y+1/4,-x+1/4,-z+3/4,-1	{ 2'_1-10 \| 1/4 1/4 3/4 }
13	-x,y,z,-1	{ m'₁₀₀ \| 0 }
14	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
15	-y+1/4,-x+3/4,z+1/4,-1	{ m'₁₁₀ \| 1/4 3/4 1/4 }
16	y+3/4,x+3/4,z+1/4,-1	{ m'_1-10 \| 3/4 3/4 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	-y+3/4,x+1/4,z+3/4,+1	{ 4⁺₀₀₁ \| 3/4 1/4 3/4 }
19	y+1/4,-x+1/4,z+3/4,+1	{ 4^-₀₀₁ \| 1/4 1/4 3/4 }
20	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
21	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
22	y+1/4,-x+3/4,-z+1/4,+1	{ -4⁺₀₀₁ \| 1/4 3/4 1/4 }
23	-y+3/4,x+3/4,-z+1/4,+1	{ -4^-₀₀₁ \| 3/4 3/4 1/4 }
24	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
25	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
26	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
27	y+1/4,x+3/4,-z+1/4,-1	{ 2'₁₁₀ \| 1/4 3/4 1/4 }
28	-y+3/4,-x+3/4,-z+1/4,-1	{ 2'_1-10 \| 3/4 3/4 1/4 }
29	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
30	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
31	-y+3/4,-x+1/4,z+3/4,-1	{ m'₁₁₀ \| 3/4 1/4 3/4 }
32	y+1/4,x+1/4,z+3/4,-1	{ m'_1-10 \| 1/4 1/4 3/4 }

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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	x,-y,-z,-1	2'₁₀₀
10	-x,y,-z,-1	2'₀₁₀
11	y,x,-z,-1	2'₁₁₀
12	-y,-x,-z,-1	2'_1-10
13	-x,y,z,-1	m'₁₀₀
14	x,-y,z,-1	m'₀₁₀
15	-y,-x,z,-1	m'₁₁₀
16	y,x,z,-1	m'_1-10

Magnetic atoms:

Label	Atom type	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Co1	Co	0.25000	0.37500	1.	4	0,0,m_z	0.0	-3.04(3)	3.04
Mn1	Mn	0.00000	0.00000	0.5625	8	0,m_y,m_z	0.55(8)	3.51(5)	3.55
Co2	Co	0.00000	0.00000	0.4375	8	0,m_y,m_z	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
O1	O	0.00000	0.52730	0.24090	1.	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 Co1:

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	-3.04000
2	0.00000	0.75000	0.62500	0,0,m_z	0.00000	0.00000	-3.04000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.87500	0,0,m_z	0.00000	0.00000	-3.04000
4	0.50000	0.25000	0.12500	0,0,m_z	0.00000	0.00000	-3.04000

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,m_y,m_z	0.00000	0.55000	3.51000
2	0.25000	0.75000	0.25000	-m_y,0,m_z	-0.55000	0.00000	3.51000
3	0.75000	0.75000	0.25000	m_y,0,m_z	0.55000	0.00000	3.51000
4	0.00000	0.50000	0.00000	0,-m_y,m_z	0.00000	-0.55000	3.51000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.50000	0,m_y,m_z	0.00000	0.55000	3.51000
6	0.75000	0.25000	0.75000	-m_y,0,m_z	-0.55000	0.00000	3.51000
7	0.25000	0.25000	0.75000	m_y,0,m_z	0.55000	0.00000	3.51000
8	0.50000	0.00000	0.50000	0,-m_y,m_z	0.00000	-0.55000	3.51000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	0.00000	0.00000
2	0.25000	0.75000	0.25000	-m_y,0,m_z	0.00000	0.00000	0.00000
3	0.75000	0.75000	0.25000	m_y,0,m_z	0.00000	0.00000	0.00000
4	0.00000	0.50000	0.00000	0,-m_y,m_z	0.00000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.50000	0,m_y,m_z	0.00000	0.00000	0.00000
6	0.75000	0.25000	0.75000	-m_y,0,m_z	0.00000	0.00000	0.00000
7	0.25000	0.25000	0.75000	m_y,0,m_z	0.00000	0.00000	0.00000
8	0.50000	0.00000	0.50000	0,-m_y,m_z	0.00000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.52730	0.24090
2	0.72270	0.75000	0.49090
3	0.27730	0.75000	0.49090
4	0.00000	0.97270	0.24090
5	0.00000	0.47270	0.75910
6	0.27730	0.25000	0.50910
7	0.72270	0.25000	0.50910
8	0.00000	0.02730	0.75910
(1/2,1/2,1/2) + set click here to show and hide
9	0.50000	0.02730	0.74090
10	0.22270	0.25000	0.99090
11	0.77730	0.25000	0.99090
12	0.50000	0.47270	0.74090
13	0.50000	0.97270	0.25910
14	0.77730	0.75000	0.00910
15	0.22270	0.75000	0.00910
16	0.50000	0.52730	0.25910

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Label	Atom type	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	M_z	\|M\|
Co1	Co	0.25000	0.37500	1.	4	0,0,m_z	0.0	-3.04(3)	3.04
Mn1	Mn	0.00000	0.00000	0.5625	8	0,m_y,m_z	0.55(8)	3.51(5)	3.55
Co2	Co	0.00000	0.00000	0.4375	8	0,m_y,m_z	0.0	0.0	0.00

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

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3+	1	1	primary	5

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

Mn_1.15Co_1.85O₄ (#0.884)

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

Mn1.15Co1.85O4 (#0.884)

Mn_1.15Co_1.85O₄ (#0.884)