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+1/2,2x-y,-z+1/2,+1	{ 2₁₁₀ \| 1/2 0 1/2 }
3	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
4	-x,-2x+y,-z,+1	{ 2₀₁₀ \| 0 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	x,2x-y,-z+1/2,-1	{ 2'₁₁₀ \| 0 0 1/2 }
7	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
8	-x+1/2,-2x+y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,2x-y,-z,+1	2₁₁₀
3	-x,-y,z,+1	2₀₀₁
4	-x,-2x+y,-z,+1	2₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,2x-y,-z,-1	2'₁₁₀
7	-x,-y,z,-1	2'₀₀₁
8	-x,-2x+y,-z,-1	2'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Ni1	Ni	0.166667	0.666667	0.25000	4	0,m_y,m_z	1.552(7)	1.55
Ni2	Ni	0.00000	0.000000	0.25000	4	0,m_y,m_z	0.0	0.00
Ni3	Ni	0.166667	0.666667	0.75000	4	0,m_y,m_z	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ag1_1	Ag	0.333333	0.00000	0.00000	8
Ag1_2	Ag	0.00000	0.666667	0.00000	4
O1_1	O	0.166667	0.0133(2)	0.33050	8
O1_2	O	0.49335	0.320033	0.33050	8
O1_3	O	0.339984	0.666667	0.33050(5)	8

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 Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16667	0.66667	0.25000	0,m_y,m_z	0.00000	0.00000	1.55200
2	0.33333	0.33333	0.75000	0,-m_y,m_z	0.00000	0.00000	1.55200
(1/2,0,0)' + set click here to show and hide
3	0.66667	0.66667	0.25000	0,-m_y,-m_z	0.00000	0.00000	-1.55200
4	0.83333	0.33333	0.75000	0,m_y,-m_z	0.00000	0.00000	-1.55200

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni2:

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

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16667	0.66667	0.75000	0,m_y,m_z	0.00000	0.00000	0.00000
2	0.33333	0.33333	0.25000	0,-m_y,m_z	0.00000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
3	0.66667	0.66667	0.75000	0,-m_y,-m_z	0.00000	0.00000	0.00000
4	0.83333	0.33333	0.25000	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 Ag1_1:

Atom	x	y	z
1	0.33333	0.00000	0.00000
2	0.83333	0.66667	0.50000
3	0.16667	0.00000	0.50000
4	0.66667	0.33333	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.83333	0.00000	0.00000
6	0.33333	0.66667	0.50000
7	0.66667	0.00000	0.50000
8	0.16667	0.33333	0.00000

Set of atoms in the unit cell related by symmetry with the atom Ag1_2:

Atom	x	y	z
1	0.00000	0.66667	0.00000
2	0.50000	0.33333	0.50000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.66667	0.00000
4	0.00000	0.33333	0.50000

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

Atom	x	y	z
1	0.16667	0.01330	0.33050
2	0.66667	0.32003	0.16950
3	0.33333	0.98670	0.83050
4	0.83333	0.67997	0.66950
(1/2,0,0)' + set click here to show and hide
5	0.66667	0.01330	0.33050
6	0.16667	0.32003	0.16950
7	0.83333	0.98670	0.83050
8	0.33333	0.67997	0.66950

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

Atom	x	y	z
1	0.49335	0.32003	0.33050
2	0.99335	0.66667	0.16950
3	0.00665	0.67997	0.83050
4	0.50665	0.33333	0.66950
(1/2,0,0)' + set click here to show and hide
5	0.99335	0.32003	0.33050
6	0.49335	0.66667	0.16950
7	0.50665	0.67997	0.83050
8	0.00665	0.33333	0.66950

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.33998	0.66667	0.33050
2	0.83998	0.01330	0.16950
3	0.16002	0.33333	0.83050
4	0.66002	0.98670	0.66950
(1/2,0,0)' + set click here to show and hide
5	0.83998	0.66667	0.33050
6	0.33998	0.01330	0.16950
7	0.66002	0.33333	0.83050
8	0.16002	0.98670	0.66950

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Ni1	Ni	0.166667	0.666667	0.25000	4	0,m_y,m_z	1.552(7)	1.55
Ni2	Ni	0.00000	0.000000	0.25000	4	0,m_y,m_z	0.0	0.00
Ni3	Ni	0.166667	0.666667	0.75000	4	0,m_y,m_z	0.0	0.00

label	dim. small irrep	dim. full irrep	action
mM3	1	3	primary

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