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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.00000	0.00000	0.00000	8	0,m_y,m_z	0.0	0.8(1)	0.0	0.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
P1	P	0.00000	0.34400	0.25000	8
O1_1	O	0.12150	0.46900	0.25000	8
O1_2	O	0.87850	0.53100	0.75000	8
O2	O	0.00000	0.25150	0.03900	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 V1:

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	0.80000	0.00000
2	0.25000	0.50000	0.50000	0,m_y,-m_z	0.00000	0.80000	0.00000
3	0.75000	0.50000	0.00000	0,m_y,m_z	0.00000	0.80000	0.00000
4	0.50000	0.00000	0.50000	0,m_y,-m_z	0.00000	0.80000	0.00000
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5	0.50000	0.00000	0.00000	0,-m_y,-m_z	0.00000	-0.80000	0.00000
6	0.75000	0.50000	0.50000	0,-m_y,m_z	0.00000	-0.80000	0.00000
7	0.25000	0.50000	0.00000	0,-m_y,-m_z	0.00000	-0.80000	0.00000
8	0.00000	0.00000	0.50000	0,-m_y,m_z	0.00000	-0.80000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom P1:

Atom	x	y	z
1	0.00000	0.34400	0.25000
2	0.25000	0.84400	0.25000
3	0.75000	0.15600	0.75000
4	0.50000	0.65600	0.75000
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5	0.50000	0.34400	0.25000
6	0.75000	0.84400	0.25000
7	0.25000	0.15600	0.75000
8	0.00000	0.65600	0.75000

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

Atom	x	y	z
1	0.12150	0.46900	0.25000
2	0.12850	0.96900	0.25000
3	0.62850	0.03100	0.75000
4	0.62150	0.53100	0.75000
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5	0.62150	0.46900	0.25000
6	0.62850	0.96900	0.25000
7	0.12850	0.03100	0.75000
8	0.12150	0.53100	0.75000

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

Atom	x	y	z
1	0.87850	0.53100	0.75000
2	0.37150	0.03100	0.75000
3	0.87150	0.96900	0.25000
4	0.37850	0.46900	0.25000
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5	0.37850	0.53100	0.75000
6	0.87150	0.03100	0.75000
7	0.37150	0.96900	0.25000
8	0.87850	0.46900	0.25000

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

Atom	x	y	z
1	0.00000	0.25150	0.03900
2	0.25000	0.75150	0.46100
3	0.75000	0.24850	0.53900
4	0.50000	0.74850	0.96100
5	0.75000	0.24850	0.96100
6	0.50000	0.74850	0.53900
7	0.00000	0.25150	0.46100
8	0.25000	0.75150	0.03900
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9	0.50000	0.25150	0.03900
10	0.75000	0.75150	0.46100
11	0.25000	0.24850	0.53900
12	0.00000	0.74850	0.96100
13	0.25000	0.24850	0.96100
14	0.00000	0.74850	0.53900
15	0.50000	0.25150	0.46100
16	0.75000	0.75150	0.03900

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.00000	0.00000	0.00000	8	0,m_y,m_z	0.0	0.8(1)	0.0	0.80

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mSM4	2	1	special	primary	2

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