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,z,+1	{ m₀₁₀ \| 0 }
3	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
4	-x,-y,-z,-1	{ -1' \| 0 }
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5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
8	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }

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Magnetic atoms:

Label	Atom type	y	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Cr1	Cr	0.00000	2	0,0,0	0.0	0.00
Cr2	Cr	0.40000	4	m_x,0,m_z	2.9(1)	2.90
Cr3	Cr	0.80000	4	m_x,0,m_z	2.9(1)	2.90

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ag1	Ag	0.8375	0.90000	0.3719	8
Ag2	Ag	0.3375	0.80000	0.3719	8
Ag3	Ag	0.3375(11)	0.00000	0.3719(4)	4
O1	O	0.8309	0.90000	0.1195	8
O2	O	0.3309	0.80000	0.1195	8
O3	O	0.3309(12)	0.00000	0.1195(4)	4

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 Cr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,0	0.00000	0.00000	0.00000
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2	0.50000	0.50000	0.00000	0,0,0	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.40000	0.00000	m_x,0,m_z	0.00000	0.00000	2.90000
2	0.00000	0.60000	0.00000	-m_x,0,-m_z	0.00000	0.00000	-2.90000
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3	0.50000	0.90000	0.00000	m_x,0,m_z	0.00000	0.00000	2.90000
4	0.50000	0.10000	0.00000	-m_x,0,-m_z	0.00000	0.00000	-2.90000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.80000	0.00000	m_x,0,m_z	0.00000	0.00000	2.90000
2	0.00000	0.20000	0.00000	-m_x,0,-m_z	0.00000	0.00000	-2.90000
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3	0.50000	0.30000	0.00000	m_x,0,m_z	0.00000	0.00000	2.90000
4	0.50000	0.70000	0.00000	-m_x,0,-m_z	0.00000	0.00000	-2.90000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ag1:

Atom	x	y	z
1	0.83750	0.90000	0.37190
2	0.83750	0.10000	0.37190
3	0.16250	0.90000	0.62810
4	0.16250	0.10000	0.62810
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5	0.33750	0.40000	0.37190
6	0.33750	0.60000	0.37190
7	0.66250	0.40000	0.62810
8	0.66250	0.60000	0.62810

Set of atoms in the unit cell related by symmetry with the atom Ag2:

Atom	x	y	z
1	0.33750	0.80000	0.37190
2	0.33750	0.20000	0.37190
3	0.66250	0.80000	0.62810
4	0.66250	0.20000	0.62810
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5	0.83750	0.30000	0.37190
6	0.83750	0.70000	0.37190
7	0.16250	0.30000	0.62810
8	0.16250	0.70000	0.62810

Set of atoms in the unit cell related by symmetry with the atom Ag3:

Atom	x	y	z
1	0.33750	0.00000	0.37190
2	0.66250	0.00000	0.62810
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3	0.83750	0.50000	0.37190
4	0.16250	0.50000	0.62810

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

Atom	x	y	z
1	0.83090	0.90000	0.11950
2	0.83090	0.10000	0.11950
3	0.16910	0.90000	0.88050
4	0.16910	0.10000	0.88050
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5	0.33090	0.40000	0.11950
6	0.33090	0.60000	0.11950
7	0.66910	0.40000	0.88050
8	0.66910	0.60000	0.88050

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

Atom	x	y	z
1	0.33090	0.80000	0.11950
2	0.33090	0.20000	0.11950
3	0.66910	0.80000	0.88050
4	0.66910	0.20000	0.88050
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5	0.83090	0.30000	0.11950
6	0.83090	0.70000	0.11950
7	0.16910	0.30000	0.88050
8	0.16910	0.70000	0.88050

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

Atom	x	y	z
1	0.33090	0.00000	0.11950
2	0.66910	0.00000	0.88050
(1/2,1/2,0) + set click here to show and hide
3	0.83090	0.50000	0.11950
4	0.16910	0.50000	0.88050

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Label	Atom type	y	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Cr1	Cr	0.00000	2	0,0,0	0.0	0.00
Cr2	Cr	0.40000	4	m_x,0,m_z	2.9(1)	2.90
Cr3	Cr	0.80000	4	m_x,0,m_z	2.9(1)	2.90

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