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,-x+y,z+1/2,+1	{ m₂₁₀ \| 0 0 1/2 }
5	x-y,-y,z+1/2,+1	{ m₁₂₀ \| 0 0 1/2 }
6	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
7	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
8	-y,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 1/2 }
9	-x+y,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 0 0 1/2 }
10	-x,-x+y,z,-1	{ m'₂₁₀ \| 0 }
11	x-y,-y,z,-1	{ m'₁₂₀ \| 0 }
12	y,x,z,-1	{ m'_1-10 \| 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-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	-x,-x+y,z,+1	m₂₁₀
5	x-y,-y,z,+1	m₁₂₀
6	y,x,z,+1	m_1-10
1' + set click here to show and hide
7	x,y,z,-1	1'
8	-y,x-y,z,-1	3'⁺₀₀₁
9	-x+y,-x,z,-1	3'^-₀₀₁
10	-x,-x+y,z,-1	m'₂₁₀
11	x-y,-y,z,-1	m'₁₂₀
12	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_1	Mn	0.34500	0.00000	0.00000	6	m_x,0,m_z	3.25	0.0	0.0	3.25
Mn1_2	Mn	0.65500	0.00000	0.25000	6	m_x,0,m_z	-3.25	0.0	0.0	3.25

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
In1_1	In	0.00000	0.00000	0.13700	2
In1_2	In	0.00000	0.00000	0.38700	2
In2_1	In	0.33333	0.66667	0.11600	4
In2_2	In	0.66667	0.33333	0.36600	4
O1_1	O	0.30700	0.00000	0.08250	6
O1_2	O	0.69300	0.00000	0.33250	6
O2_1	O	0.64000	0.00000	0.16800	6
O2_2	O	0.36000	0.00000	0.41800	6
O3_1	O	0.00000	0.00000	0.23750	2
O3_2	O	0.00000	0.00000	0.48750	2
O4_1	O	0.33333	0.66667	0.01000	4
O4_2	O	0.66667	0.33333	0.26000	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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.34500	0.00000	0.00000	m_x,0,m_z	3.25000	0.00000	0.00000
2	0.00000	0.34500	0.00000	0,m_x,m_z	0.00000	3.25000	0.00000
3	0.65500	0.65500	0.00000	-m_x,-m_x,m_z	-3.25000	-3.25000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.34500	0.00000	0.50000	-m_x,0,-m_z	-3.25000	0.00000	0.00000
5	0.00000	0.34500	0.50000	0,-m_x,-m_z	0.00000	-3.25000	0.00000
6	0.65500	0.65500	0.50000	m_x,m_x,-m_z	3.25000	3.25000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.65500	0.00000	0.25000	m_x,0,m_z	-3.25000	0.00000	0.00000
2	0.00000	0.65500	0.25000	0,m_x,m_z	0.00000	-3.25000	0.00000
3	0.34500	0.34500	0.25000	-m_x,-m_x,m_z	3.25000	3.25000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.65500	0.00000	0.75000	-m_x,0,-m_z	3.25000	0.00000	0.00000
5	0.00000	0.65500	0.75000	0,-m_x,-m_z	0.00000	3.25000	0.00000
6	0.34500	0.34500	0.75000	m_x,m_x,-m_z	-3.25000	-3.25000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom In1_1:

Atom	x	y	z
1	0.00000	0.00000	0.13700
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.63700

Set of atoms in the unit cell related by symmetry with the atom In1_2:

Atom	x	y	z
1	0.00000	0.00000	0.38700
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.88700

Set of atoms in the unit cell related by symmetry with the atom In2_1:

Atom	x	y	z
1	0.33333	0.66667	0.11600
2	0.66667	0.33334	0.61600
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.61600
4	0.66667	0.33334	0.11600

Set of atoms in the unit cell related by symmetry with the atom In2_2:

Atom	x	y	z
1	0.66667	0.33333	0.36600
2	0.33333	0.66666	0.86600
(0,0,1/2)' + set click here to show and hide
3	0.66667	0.33333	0.86600
4	0.33333	0.66666	0.36600

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.30700	0.00000	0.08250
2	0.00000	0.30700	0.08250
3	0.69300	0.69300	0.08250
(0,0,1/2)' + set click here to show and hide
4	0.30700	0.00000	0.58250
5	0.00000	0.30700	0.58250
6	0.69300	0.69300	0.58250

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.69300	0.00000	0.33250
2	0.00000	0.69300	0.33250
3	0.30700	0.30700	0.33250
(0,0,1/2)' + set click here to show and hide
4	0.69300	0.00000	0.83250
5	0.00000	0.69300	0.83250
6	0.30700	0.30700	0.83250

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.64000	0.00000	0.16800
2	0.00000	0.64000	0.16800
3	0.36000	0.36000	0.16800
(0,0,1/2)' + set click here to show and hide
4	0.64000	0.00000	0.66800
5	0.00000	0.64000	0.66800
6	0.36000	0.36000	0.66800

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.36000	0.00000	0.41800
2	0.00000	0.36000	0.41800
3	0.64000	0.64000	0.41800
(0,0,1/2)' + set click here to show and hide
4	0.36000	0.00000	0.91800
5	0.00000	0.36000	0.91800
6	0.64000	0.64000	0.91800

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.00000	0.00000	0.23750
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.73750

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.00000	0.00000	0.48750
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.98750

Set of atoms in the unit cell related by symmetry with the atom O4_1:

Atom	x	y	z
1	0.33333	0.66667	0.01000
2	0.66667	0.33334	0.51000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.51000
4	0.66667	0.33334	0.01000

Set of atoms in the unit cell related by symmetry with the atom O4_2:

Atom	x	y	z
1	0.66667	0.33333	0.26000
2	0.33333	0.66666	0.76000
(0,0,1/2)' + set click here to show and hide
3	0.66667	0.33333	0.76000
4	0.33333	0.66666	0.26000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.34500	0.00000	0.00000	6	m_x,0,m_z	3.25	0.0	0.0	3.25
Mn1_2	Mn	0.65500	0.00000	0.25000	6	m_x,0,m_z	-3.25	0.0	0.0	3.25

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mA2A4	2	1	general	primary	4

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

InMnO₃ (#1.524)

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

InMnO3 (#1.524)

InMnO₃ (#1.524)