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,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x+1/2,y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
4	x,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
7	x+1/2,-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
8	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
10	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
11	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
12	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
13	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
14	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
15	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
16	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 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	2₀₀₁
3	-x,y,-z,+1	2₀₁₀
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	x,-y,z,+1	m₀₁₀
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	-x,y,-z,-1	2'₀₁₀
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	x,-y,z,-1	m'₀₁₀
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\|
Co	Co	0.16897	0.41897	0.12500	16	m_x,m_y,m_z	0.0	0.0	2.267(3)	2.27

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba	Ba	0.00000	0.25000	0.37500	8
V1	V	0.08000	0.00000	0.25000	8
V2	V	0.25000	0.83000	0.50000	8
O11	O	0.15868	0.07501	0.38171	16
O12	O	0.17499	0.90868	0.63171	16
O21	O	0.49845	0.08729	0.34872	16
O22	O	0.16271	0.24845	0.59872	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 Co:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16897	0.41897	0.12500	m_x,m_y,m_z	0.00000	0.00000	2.26700
2	0.33103	0.58103	0.62500	-m_x,-m_y,m_z	0.00000	0.00000	2.26700
3	0.33103	0.41897	0.87500	-m_x,m_y,-m_z	0.00000	0.00000	-2.26700
4	0.16897	0.58103	0.37500	m_x,-m_y,-m_z	0.00000	0.00000	-2.26700
5	0.83103	0.58103	0.87500	m_x,m_y,m_z	0.00000	0.00000	2.26700
6	0.66897	0.41897	0.37500	-m_x,-m_y,m_z	0.00000	0.00000	2.26700
7	0.66897	0.58103	0.12500	-m_x,m_y,-m_z	0.00000	0.00000	-2.26700
8	0.83103	0.41897	0.62500	m_x,-m_y,-m_z	0.00000	0.00000	-2.26700
(1/2,1/2,1/2)' + set click here to show and hide
9	0.66897	0.91897	0.62500	-m_x,-m_y,-m_z	0.00000	0.00000	-2.26700
10	0.83103	0.08103	0.12500	m_x,m_y,-m_z	0.00000	0.00000	-2.26700
11	0.83103	0.91897	0.37500	m_x,-m_y,m_z	0.00000	0.00000	2.26700
12	0.66897	0.08103	0.87500	-m_x,m_y,m_z	0.00000	0.00000	2.26700
13	0.33103	0.08103	0.37500	-m_x,-m_y,-m_z	0.00000	0.00000	-2.26700
14	0.16897	0.91897	0.87500	m_x,m_y,-m_z	0.00000	0.00000	-2.26700
15	0.16897	0.08103	0.62500	m_x,-m_y,m_z	0.00000	0.00000	2.26700
16	0.33103	0.91897	0.12500	-m_x,m_y,m_z	0.00000	0.00000	2.26700

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.25000	0.37500
2	0.50000	0.25000	0.62500
3	0.00000	0.75000	0.62500
4	0.50000	0.75000	0.37500
(1/2,1/2,1/2)' + set click here to show and hide
5	0.50000	0.75000	0.87500
6	0.00000	0.75000	0.12500
7	0.50000	0.25000	0.12500
8	0.00000	0.25000	0.87500

Set of atoms in the unit cell related by symmetry with the atom V1:

Atom	x	y	z
1	0.08000	0.00000	0.25000
2	0.42000	0.00000	0.75000
3	0.92000	0.00000	0.75000
4	0.58000	0.00000	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.58000	0.50000	0.75000
6	0.92000	0.50000	0.25000
7	0.42000	0.50000	0.25000
8	0.08000	0.50000	0.75000

Set of atoms in the unit cell related by symmetry with the atom V2:

Atom	x	y	z
1	0.25000	0.83000	0.50000
2	0.25000	0.17000	0.00000
3	0.75000	0.17000	0.50000
4	0.75000	0.83000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.75000	0.33000	0.00000
6	0.75000	0.67000	0.50000
7	0.25000	0.67000	0.00000
8	0.25000	0.33000	0.50000

Set of atoms in the unit cell related by symmetry with the atom O11:

Atom	x	y	z
1	0.15868	0.07501	0.38171
2	0.34132	0.92499	0.88171
3	0.34132	0.07501	0.61829
4	0.15868	0.92499	0.11829
5	0.84132	0.92499	0.61829
6	0.65868	0.07501	0.11829
7	0.65868	0.92499	0.38171
8	0.84132	0.07501	0.88171
(1/2,1/2,1/2)' + set click here to show and hide
9	0.65868	0.57501	0.88171
10	0.84132	0.42499	0.38171
11	0.84132	0.57501	0.11829
12	0.65868	0.42499	0.61829
13	0.34132	0.42499	0.11829
14	0.15868	0.57501	0.61829
15	0.15868	0.42499	0.88171
16	0.34132	0.57501	0.38171

Set of atoms in the unit cell related by symmetry with the atom O12:

Atom	x	y	z
1	0.17499	0.90868	0.63171
2	0.32501	0.09132	0.13171
3	0.32501	0.90868	0.36829
4	0.17499	0.09132	0.86829
5	0.82501	0.09132	0.36829
6	0.67499	0.90868	0.86829
7	0.67499	0.09132	0.63171
8	0.82501	0.90868	0.13171
(1/2,1/2,1/2)' + set click here to show and hide
9	0.67499	0.40868	0.13171
10	0.82501	0.59132	0.63171
11	0.82501	0.40868	0.86829
12	0.67499	0.59132	0.36829
13	0.32501	0.59132	0.86829
14	0.17499	0.40868	0.36829
15	0.17499	0.59132	0.13171
16	0.32501	0.40868	0.63171

Set of atoms in the unit cell related by symmetry with the atom O21:

Atom	x	y	z
1	0.49845	0.08729	0.34872
2	0.00155	0.91271	0.84872
3	0.00155	0.08729	0.65128
4	0.49845	0.91271	0.15128
5	0.50155	0.91271	0.65128
6	0.99845	0.08729	0.15128
7	0.99845	0.91271	0.34872
8	0.50155	0.08729	0.84872
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9	0.99845	0.58729	0.84872
10	0.50155	0.41271	0.34872
11	0.50155	0.58729	0.15128
12	0.99845	0.41271	0.65128
13	0.00155	0.41271	0.15128
14	0.49845	0.58729	0.65128
15	0.49845	0.41271	0.84872
16	0.00155	0.58729	0.34872

Set of atoms in the unit cell related by symmetry with the atom O22:

Atom	x	y	z
1	0.16271	0.24845	0.59872
2	0.33729	0.75155	0.09872
3	0.33729	0.24845	0.40128
4	0.16271	0.75155	0.90128
5	0.83729	0.75155	0.40128
6	0.66271	0.24845	0.90128
7	0.66271	0.75155	0.59872
8	0.83729	0.24845	0.09872
(1/2,1/2,1/2)' + set click here to show and hide
9	0.66271	0.74845	0.09872
10	0.83729	0.25155	0.59872
11	0.83729	0.74845	0.90128
12	0.66271	0.25155	0.40128
13	0.33729	0.25155	0.90128
14	0.16271	0.74845	0.40128
15	0.16271	0.25155	0.09872
16	0.33729	0.74845	0.59872

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co	Co	0.16897	0.41897	0.12500	16	m_x,m_y,m_z	0.0	0.0	2.267(3)	2.27

label	dim. full irrep	dim. small irrep	direction	action
mM4	2	2	special	primary

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