MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the setting of the parent structure (a_p,b_p,c_p) to the working setting (a,b,c):

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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+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(1/2,1/2,1/2) + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
6	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
7	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
8	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
(0,0,1/2)' + set click here to show and hide
9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
11	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
12	x,-y,z,-1	{ m'₀₁₀ \| 0 }
(1/2,1/2,0)' + set click here to show and hide
13	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
14	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
15	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
16	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

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Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

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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	-1
3	-x,y,-z,+1	2₀₁₀
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,-z,-1	-1'
7	-x,y,-z,-1	2'₀₁₀
8	x,-y,z,-1	m'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co2+	0.00000	0.00000	0.00000	4	m_x,0,m_z	2.20(8)	0.0	4.24(6)	3.98

Non-magnetic atoms:

Label	Atom type	x	z	Multiplicity
V1	V	0.80900	0.17150	8
O1	O	0.65360	0.05525	8
O2	O	0.96670	0.13895	8
O3	O	0.69120	0.28100	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 Co1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,m_z	2.20000	0.00000	4.24000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.50000	m_x,0,m_z	2.20000	0.00000	4.24000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000	-m_x,0,-m_z	-2.20000	0.00000	-4.24000
(1/2,1/2,0)' + set click here to show and hide
4	0.50000	0.50000	0.00000	-m_x,0,-m_z	-2.20000	0.00000	-4.24000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.80900	0.00000	0.17150
2	0.19100	0.00000	0.32850
(1/2,1/2,1/2) + set click here to show and hide
3	0.30900	0.50000	0.67150
4	0.69100	0.50000	0.82850
(0,0,1/2)' + set click here to show and hide
5	0.80900	0.00000	0.67150
6	0.19100	0.00000	0.82850
(1/2,1/2,0)' + set click here to show and hide
7	0.30900	0.50000	0.17150
8	0.69100	0.50000	0.32850

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

Atom	x	y	z
1	0.65360	0.00000	0.05525
2	0.34640	0.00000	0.44475
(1/2,1/2,1/2) + set click here to show and hide
3	0.15360	0.50000	0.55525
4	0.84640	0.50000	0.94475
(0,0,1/2)' + set click here to show and hide
5	0.65360	0.00000	0.55525
6	0.34640	0.00000	0.94475
(1/2,1/2,0)' + set click here to show and hide
7	0.15360	0.50000	0.05525
8	0.84640	0.50000	0.44475

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

Atom	x	y	z
1	0.96670	0.00000	0.13895
2	0.03330	0.00000	0.36105
(1/2,1/2,1/2) + set click here to show and hide
3	0.46670	0.50000	0.63895
4	0.53330	0.50000	0.86105
(0,0,1/2)' + set click here to show and hide
5	0.96670	0.00000	0.63895
6	0.03330	0.00000	0.86105
(1/2,1/2,0)' + set click here to show and hide
7	0.46670	0.50000	0.13895
8	0.53330	0.50000	0.36105

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

Atom	x	y	z
1	0.69120	0.00000	0.28100
2	0.30880	0.00000	0.21900
(1/2,1/2,1/2) + set click here to show and hide
3	0.19120	0.50000	0.78100
4	0.80880	0.50000	0.71900
(0,0,1/2)' + set click here to show and hide
5	0.69120	0.00000	0.78100
6	0.30880	0.00000	0.71900
(1/2,1/2,0)' + set click here to show and hide
7	0.19120	0.50000	0.28100
8	0.80880	0.50000	0.21900

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co2+	0.00000	0.00000	0.00000	4	m_x,0,m_z	2.20(8)	0.0	4.24(6)	3.98

label	dim. small irrep	dim. full irrep	action
mM2+	1	1	primary

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