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	{ 2₀₀₁ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,y,-z,+1	{ m₀₀₁ \| 0 }
5	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
6	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
7	-x,y,z,-1	{ m'₁₀₀ \| 0 }
8	x,-y,z,-1	{ m'₀₁₀ \| 0 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
11	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
12	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
13	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 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	{ m'₁₀₀ \| 1/2 1/2 0 }
16	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

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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:

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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	2	0,0,m_z	0.0	0.0	2.05(6)	2.05

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Li1	Li1+	0.25000	0.25000	0.50000	4
Cl1	Cl1-	0.2373(5)	0.00000	0.50000	4
Cl2	Cl1-	0.00000	0.2381(4)	0.00000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	2.05000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	2.05000

Atom	x	y	z
1	0.25000	0.25000	0.50000
2	0.25000	0.75000	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.75000	0.75000	0.50000
4	0.75000	0.25000	0.50000

Atom	x	y	z
1	0.23730	0.00000	0.50000
2	0.76270	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.73730	0.50000	0.50000
4	0.26270	0.50000	0.50000

Atom	x	y	z
1	0.00000	0.23810	0.00000
2	0.00000	0.76190	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.73810	0.00000
4	0.50000	0.26190	0.00000

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	2	0,0,m_z	0.0	0.0	2.05(6)	2.05

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	2.05000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	2.05000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	1

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