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	{ 2₀₀₁ \| 0 0 1/2 }
3	-x+1/2,-2x+y,z+1/2,+1	{ m₁₁₀ \| 1/2 0 1/2 }
4	x+1/2,2x-y,z,+1	{ m₀₁₀ \| 1/2 0 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+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
7	-x,-2x+y,z+1/2,-1	{ m'₁₁₀ \| 0 0 1/2 }
8	x,2x-y,z,-1	{ m'₀₁₀ \| 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:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-2x+y,z,+1	m₁₁₀
4	x,2x-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	-x,-2x+y,z,-1	m'₁₁₀
8	x,2x-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\|
Er1	Er	0.00000	0.00000	0.25	4	2m_y,m_y,m_z	0.0	0.0	8.8(5)	8.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Au1	Au	0.166667	0.666667	0.057(9)	4
Ge1	Ge	0.166667	0.666667	0.475(10)	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	2m_y,m_y,m_z	0.00000	0.00000	8.80000
2	0.00000	0.00000	0.75000	-2m_y,-m_y,m_z	0.00000	0.00000	8.80000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.25000	-2m_y,-m_y,-m_z	0.00000	0.00000	-8.80000
4	0.50000	0.00000	0.75000	2m_y,m_y,-m_z	0.00000	0.00000	-8.80000

Atom	x	y	z
1	0.16667	0.66667	0.05700
2	0.83333	0.33333	0.55700
(1/2,0,0)' + set click here to show and hide
3	0.66667	0.66667	0.05700
4	0.33333	0.33333	0.55700

Atom	x	y	z
1	0.16667	0.66667	0.47500
2	0.83333	0.33333	0.97500
(1/2,0,0)' + set click here to show and hide
3	0.66667	0.66667	0.47500
4	0.33333	0.33333	0.97500

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.00000	0.00000	0.25	4	2m_y,m_y,m_z	0.0	0.0	8.8(5)	8.80

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	2m_y,m_y,m_z	0.00000	0.00000	8.80000
2	0.00000	0.00000	0.75000	-2m_y,-m_y,m_z	0.00000	0.00000	8.80000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.00000	0.25000	-2m_y,-m_y,-m_z	0.00000	0.00000	-8.80000
4	0.50000	0.00000	0.75000	2m_y,m_y,-m_z	0.00000	0.00000	-8.80000

label	dim. small irrep	dim. full irrep	action
mM2	1	3	primary

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