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	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	-x+y,-x,-z,+1	{ -6⁺₀₀₁ \| 0 }
5	x,y,-z,+1	{ m₀₀₁ \| 0 }
6	-y,x-y,-z,+1	{ -6^-₀₀₁ \| 0 }
(0,0,1/2)' + set click here to show and hide
7	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
8	-y,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 1/2 }
9	-x+y,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 0 0 1/2 }
10	-x+y,-x,-z+1/2,-1	{ -6'⁺₀₀₁ \| 0 0 1/2 }
11	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
12	-y,x-y,-z+1/2,-1	{ -6'^-₀₀₁ \| 0 0 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	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	-x+y,-x,-z,+1	-6⁺₀₀₁
5	x,y,-z,+1	m₀₀₁
6	-y,x-y,-z,+1	-6^-₀₀₁
1' + set click here to show and hide
7	x,y,z,-1	1'
8	-y,x-y,z,-1	3'⁺₀₀₁
9	-x+y,-x,z,-1	3'^-₀₀₁
10	-x+y,-x,-z,-1	-6'⁺₀₀₁
11	x,y,-z,-1	m'₀₀₁
12	-y,x-y,-z,-1	-6'^-₀₀₁

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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	0.589(1)	0.00000	0.25000	6	m_x,m_y,0	2.5(1)	2.5(1)	0.0	2.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
In1	In	0.272(3)	0.00000	0.00000	6
Au1_1	Au	0.33333	0.66667	0.00000	2
Au1_2	Au	0.66667	0.33333	0.00000	2
Au2	Au	0.00000	0.00000	0.25000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.58900	0.00000	0.25000	m_x,m_y,0	2.50000	2.50000	0.00000
2	0.00000	0.58900	0.25000	-m_y,m_x-m_y,0	-2.50000	0.00000	0.00000
3	0.41100	0.41100	0.25000	-m_x+m_y,-m_x,0	0.00000	-2.50000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.58900	0.00000	0.75000	-m_x,-m_y,0	-2.50000	-2.50000	0.00000
5	0.00000	0.58900	0.75000	m_y,-m_x+m_y,0	2.50000	0.00000	0.00000
6	0.41100	0.41100	0.75000	m_x-m_y,m_x,0	0.00000	2.50000	0.00000

Atom	x	y	z
1	0.27200	0.00000	0.00000
2	0.00000	0.27200	0.00000
3	0.72800	0.72800	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.27200	0.00000	0.50000
5	0.00000	0.27200	0.50000
6	0.72800	0.72800	0.50000

Atom	x	y	z
1	0.33333	0.66667	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.33333	0.66667	0.50000

Atom	x	y	z
1	0.66667	0.33333	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.66667	0.33333	0.50000

Atom	x	y	z
1	0.00000	0.00000	0.25000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.75000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.589(1)	0.00000	0.25000	6	m_x,m_y,0	2.5(1)	2.5(1)	0.0	2.50

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.58900	0.00000	0.25000	m_x,m_y,0	2.50000	2.50000	0.00000
2	0.00000	0.58900	0.25000	-m_y,m_x-m_y,0	-2.50000	0.00000	0.00000
3	0.41100	0.41100	0.25000	-m_x+m_y,-m_x,0	0.00000	-2.50000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.58900	0.00000	0.75000	-m_x,-m_y,0	-2.50000	-2.50000	0.00000
5	0.00000	0.58900	0.75000	m_y,-m_x+m_y,0	2.50000	0.00000	0.00000
6	0.41100	0.41100	0.75000	m_x-m_y,m_x,0	0.00000	2.50000	0.00000

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