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	{ m₁₀₀ \| 0 }
4	x,y,-z,+1	{ m₀₀₁ \| 0 }
5	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
6	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x,-y,z,-1	{ m'₀₁₀ \| 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	{ 2₀₁₀ \| 1/2 1/2 1/2 }
11	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 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	{ 2'₁₀₀ \| 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'₀₁₀ \| 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\|
Cr1	Cr	0.00000	0.50000	0.25000	4	m_x,0,0	1.20(15)	0.0	0.0	1.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Th1	Th	0.00000	0.00000	0.00000	2
Si1	Si	0.00000	0.00000	0.37700	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	m_x,0,0	1.20000	0.00000	0.00000
2	0.00000	0.50000	0.75000	-m_x,0,0	-1.20000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000	m_x,0,0	1.20000	0.00000	0.00000
4	0.50000	0.00000	0.25000	-m_x,0,0	-1.20000	0.00000	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

Atom	x	y	z
1	0.00000	0.00000	0.37700
2	0.00000	0.00000	0.62300
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.87700
4	0.50000	0.50000	0.12300

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.00000	0.50000	0.25000	4	m_x,0,0	1.20(15)	0.0	0.0	1.20

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.25000	m_x,0,0	1.20000	0.00000	0.00000
2	0.00000	0.50000	0.75000	-m_x,0,0	-1.20000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.75000	m_x,0,0	1.20000	0.00000	0.00000
4	0.50000	0.00000	0.25000	-m_x,0,0	-1.20000	0.00000	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