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	{ 2₁₀₀ \| 0 }
3	x,-y,z,+1	{ m₀₁₀ \| 0 }
4	x,y,-z,+1	{ m₀₀₁ \| 0 }
5	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
6	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	-x,y,z,-1	{ m'₁₀₀ \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	x+1/2,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 1/2 }
11	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
12	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
13	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
14	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
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'₁₀₀ \| 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:

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.3328(6)	4	0,m_y,0	0.0	4.3(4)	0.0	4.30

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Au1	Au	0.00000	0.00000	0.00000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.33280	0,m_y,0	0.00000	4.30000	0.00000
2	0.00000	0.00000	0.66720	0,-m_y,0	0.00000	-4.30000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.83280	0,m_y,0	0.00000	4.30000	0.00000
4	0.50000	0.50000	0.16720	0,-m_y,0	0.00000	-4.30000	0.00000

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.00000	0.3328(6)	4	0,m_y,0	0.0	4.3(4)	0.0	4.30

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.33280	0,m_y,0	0.00000	4.30000	0.00000
2	0.00000	0.00000	0.66720	0,-m_y,0	0.00000	-4.30000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.83280	0,m_y,0	0.00000	4.30000	0.00000
4	0.50000	0.50000	0.16720	0,-m_y,0	0.00000	-4.30000	0.00000

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM5-	2	2	special	primary	1

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