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	{ -1 \| 0 }
4	x,-y,z,+1	{ m₀₁₀ \| 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
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 }

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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_y	\|M\|
Mn1	Mn2+	0.30820	0.00000	0.68320	4	0,m_y,0	-0.52(9)	0.52
Mn2	Mn2+	0.38883	0.00000	0.08690	4	0,m_y,0	2.55(9)	2.55
Mn3	Mn2+	0.00000	0.50000	0.50000	2	0,m_y,0	-1.69(14)	1.69
Mn4	Mn2+	0.00000	0.00000	0.00000	2	0,m_y,0	0.59(6)	0.59

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
As1	As	0.06069	0.00000	0.34317	4
As2	As	0.24682	0.00000	0.17768	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.30820	0.00000	0.68320	0,m_y,0	0.00000	-0.52000	0.00000
2	0.69180	0.00000	0.31680	0,m_y,0	0.00000	-0.52000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.80820	0.50000	0.68320	0,m_y,0	0.00000	-0.52000	0.00000
4	0.19180	0.50000	0.31680	0,m_y,0	0.00000	-0.52000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.38883	0.00000	0.08690	0,m_y,0	0.00000	2.55000	0.00000
2	0.61117	0.00000	0.91310	0,m_y,0	0.00000	2.55000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.88883	0.50000	0.08690	0,m_y,0	0.00000	2.55000	0.00000
4	0.11117	0.50000	0.91310	0,m_y,0	0.00000	2.55000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.50000	0,m_y,0	0.00000	-1.69000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.00000	0.50000	0,m_y,0	0.00000	-1.69000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	0.59000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	0,m_y,0	0.00000	0.59000	0.00000

Atom	x	y	z
1	0.06069	0.00000	0.34317
2	0.93931	0.00000	0.65683
(1/2,1/2,0) + set click here to show and hide
3	0.56069	0.50000	0.34317
4	0.43931	0.50000	0.65683

Atom	x	y	z
1	0.24682	0.00000	0.17768
2	0.75318	0.00000	0.82232
(1/2,1/2,0) + set click here to show and hide
3	0.74682	0.50000	0.17768
4	0.25318	0.50000	0.82232

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Mn1	Mn2+	0.30820	0.00000	0.68320	4	0,m_y,0	-0.52(9)	0.52
Mn2	Mn2+	0.38883	0.00000	0.08690	4	0,m_y,0	2.55(9)	2.55
Mn3	Mn2+	0.00000	0.50000	0.50000	2	0,m_y,0	-1.69(14)	1.69
Mn4	Mn2+	0.00000	0.00000	0.00000	2	0,m_y,0	0.59(6)	0.59

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.30820	0.00000	0.68320	0,m_y,0	0.00000	-0.52000	0.00000
2	0.69180	0.00000	0.31680	0,m_y,0	0.00000	-0.52000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.80820	0.50000	0.68320	0,m_y,0	0.00000	-0.52000	0.00000
4	0.19180	0.50000	0.31680	0,m_y,0	0.00000	-0.52000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.38883	0.00000	0.08690	0,m_y,0	0.00000	2.55000	0.00000
2	0.61117	0.00000	0.91310	0,m_y,0	0.00000	2.55000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.88883	0.50000	0.08690	0,m_y,0	0.00000	2.55000	0.00000
4	0.11117	0.50000	0.91310	0,m_y,0	0.00000	2.55000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.50000	0,m_y,0	0.00000	-1.69000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.00000	0.50000	0,m_y,0	0.00000	-1.69000	0.00000

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,0	0.00000	0.59000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	0,m_y,0	0.00000	0.59000	0.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	4

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