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+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
3	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
7	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
8	x,y,-z,+1	{ m₀₀₁ \| 0 }
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9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
11	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
12	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
13	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
14	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
15	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
16	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }

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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	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,-y,z,+1	m₀₁₀
8	x,y,-z,+1	m₀₀₁
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9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-x,y,z,-1	m'₁₀₀
15	x,-y,z,-1	m'₀₁₀
16	x,y,-z,-1	m'₀₀₁

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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	0.50000	0.13050	8	0,0,m_z	0.0	0.0	-1.61(7)	1.61
Mn2	Mn	0.41140	0.35330	0.25000	8	m_x,m_y,0	2.28(4)	-1.23(8)	0.0	2.59

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
La1	La	0.14510	0.17360	0.00000	8
O1	O	0.00000	0.00000	0.13905	8
O2	O	0.15250	0.44970	0.00000	8
O3	O	0.15250	0.43740	0.25000	8
O4	O	0.40680	0.20610	0.12700	16

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	0.50000	0.13050	0,0,m_z	0.00000	0.00000	-1.61000
2	0.50000	0.00000	0.86950	0,0,-m_z	0.00000	0.00000	1.61000
3	0.00000	0.50000	0.86950	0,0,m_z	0.00000	0.00000	-1.61000
4	0.50000	0.00000	0.13050	0,0,-m_z	0.00000	0.00000	1.61000
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5	0.00000	0.50000	0.63050	0,0,-m_z	0.00000	0.00000	1.61000
6	0.50000	0.00000	0.36950	0,0,m_z	0.00000	0.00000	-1.61000
7	0.00000	0.50000	0.36950	0,0,-m_z	0.00000	0.00000	1.61000
8	0.50000	0.00000	0.63050	0,0,m_z	0.00000	0.00000	-1.61000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.41140	0.35330	0.25000	m_x,m_y,0	2.28000	-1.23000	0.00000
2	0.91140	0.14670	0.75000	m_x,-m_y,0	2.28000	1.23000	0.00000
3	0.08860	0.85330	0.75000	-m_x,m_y,0	-2.28000	-1.23000	0.00000
4	0.58860	0.64670	0.25000	-m_x,-m_y,0	-2.28000	1.23000	0.00000
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5	0.41140	0.35330	0.75000	-m_x,-m_y,0	-2.28000	1.23000	0.00000
6	0.91140	0.14670	0.25000	-m_x,m_y,0	-2.28000	-1.23000	0.00000
7	0.08860	0.85330	0.25000	m_x,-m_y,0	2.28000	1.23000	0.00000
8	0.58860	0.64670	0.75000	m_x,m_y,0	2.28000	-1.23000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1:

Atom	x	y	z
1	0.14510	0.17360	0.00000
2	0.64510	0.32640	0.00000
3	0.35490	0.67360	0.00000
4	0.85490	0.82640	0.00000
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5	0.14510	0.17360	0.50000
6	0.64510	0.32640	0.50000
7	0.35490	0.67360	0.50000
8	0.85490	0.82640	0.50000

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

Atom	x	y	z
1	0.00000	0.00000	0.13905
2	0.50000	0.50000	0.86095
3	0.00000	0.00000	0.86095
4	0.50000	0.50000	0.13905
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5	0.00000	0.00000	0.63905
6	0.50000	0.50000	0.36095
7	0.00000	0.00000	0.36095
8	0.50000	0.50000	0.63905

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

Atom	x	y	z
1	0.15250	0.44970	0.00000
2	0.65250	0.05030	0.00000
3	0.34750	0.94970	0.00000
4	0.84750	0.55030	0.00000
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5	0.15250	0.44970	0.50000
6	0.65250	0.05030	0.50000
7	0.34750	0.94970	0.50000
8	0.84750	0.55030	0.50000

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.15250	0.43740	0.25000
2	0.65250	0.06260	0.75000
3	0.34750	0.93740	0.75000
4	0.84750	0.56260	0.25000
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5	0.15250	0.43740	0.75000
6	0.65250	0.06260	0.25000
7	0.34750	0.93740	0.25000
8	0.84750	0.56260	0.75000

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.40680	0.20610	0.12700
2	0.90680	0.29390	0.87300
3	0.09320	0.70610	0.87300
4	0.59320	0.79390	0.12700
5	0.59320	0.79390	0.87300
6	0.09320	0.70610	0.12700
7	0.90680	0.29390	0.12700
8	0.40680	0.20610	0.87300
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9	0.40680	0.20610	0.62700
10	0.90680	0.29390	0.37300
11	0.09320	0.70610	0.37300
12	0.59320	0.79390	0.62700
13	0.59320	0.79390	0.37300
14	0.09320	0.70610	0.62700
15	0.90680	0.29390	0.62700
16	0.40680	0.20610	0.37300

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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	0.50000	0.13050	8	0,0,m_z	0.0	0.0	-1.61(7)	1.61
Mn2	Mn	0.41140	0.35330	0.25000	8	m_x,m_y,0	2.28(4)	-1.23(8)	0.0	2.59

label	dim. small irrep	dim. full irrep	action	number of modes
mZ1+	1	1	primary	3

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