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	{ 2₀₁₀ \| 0 }
3	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
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+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
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,-1	{ 2'₀₁₀ \| 0 0 1/2 }
11	-x,-y,-z,-1	{ -1' \| 0 }
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	{ 2'₀₁₀ \| 1/2 1/2 0 }
15	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
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	Co	0.00000	0.00000	0.25000	4	m_x,0,m_z	-0.72	0.0	4.77	5.08

Non-magnetic atoms:

Label	Atom type	x	z	Multiplicity
V1	V	0.19400	0.07750	8
O1	O	0.03560	0.11185	8
O2	O	0.34690	0.19500	8
O3	O	0.69240	0.03265	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	0.25000	m_x,0,m_z	-0.72000	0.00000	4.77000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.50000	0.75000	m_x,0,m_z	-0.72000	0.00000	4.77000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.75000	-m_x,0,-m_z	0.72000	0.00000	-4.77000
(1/2,1/2,0)' + set click here to show and hide
4	0.50000	0.50000	0.25000	-m_x,0,-m_z	0.72000	0.00000	-4.77000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.19400	0.00000	0.07750
2	0.80600	0.00000	0.92250
(1/2,1/2,1/2) + set click here to show and hide
3	0.69400	0.50000	0.57750
4	0.30600	0.50000	0.42250
(0,0,1/2)' + set click here to show and hide
5	0.19400	0.00000	0.57750
6	0.80600	0.00000	0.42250
(1/2,1/2,0)' + set click here to show and hide
7	0.69400	0.50000	0.07750
8	0.30600	0.50000	0.92250

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

Atom	x	y	z
1	0.03560	0.00000	0.11185
2	0.96440	0.00000	0.88815
(1/2,1/2,1/2) + set click here to show and hide
3	0.53560	0.50000	0.61185
4	0.46440	0.50000	0.38815
(0,0,1/2)' + set click here to show and hide
5	0.03560	0.00000	0.61185
6	0.96440	0.00000	0.38815
(1/2,1/2,0)' + set click here to show and hide
7	0.53560	0.50000	0.11185
8	0.46440	0.50000	0.88815

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

Atom	x	y	z
1	0.34690	0.00000	0.19500
2	0.65310	0.00000	0.80500
(1/2,1/2,1/2) + set click here to show and hide
3	0.84690	0.50000	0.69500
4	0.15310	0.50000	0.30500
(0,0,1/2)' + set click here to show and hide
5	0.34690	0.00000	0.69500
6	0.65310	0.00000	0.30500
(1/2,1/2,0)' + set click here to show and hide
7	0.84690	0.50000	0.19500
8	0.15310	0.50000	0.80500

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

Atom	x	y	z
1	0.69240	0.00000	0.03265
2	0.30760	0.00000	0.96735
(1/2,1/2,1/2) + set click here to show and hide
3	0.19240	0.50000	0.53265
4	0.80760	0.50000	0.46735
(0,0,1/2)' + set click here to show and hide
5	0.69240	0.00000	0.53265
6	0.30760	0.00000	0.46735
(1/2,1/2,0)' + set click here to show and hide
7	0.19240	0.50000	0.03265
8	0.80760	0.50000	0.96735

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.25000	4	m_x,0,m_z	-0.72	0.0	4.77	5.08

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

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