MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the parent setting (a_p,b_p,c_p) to the standard setting of the parent space group (a_pst,b_pst,c_pst):

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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+1/2,y,-z,+1	{ 2₀₁₀ \| 1/2 0 0 }
3	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
4	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
6	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 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	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-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\|
Mn1	Mn	0.25000	0.75000	0.25000	4	m_x,m_y,m_z	0.0	3.1(3)	0.0	3.10

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
F1	F	0.27700	0.66100	0.11400	8
F2	F	0.47100	0.06600	0.21400	8
Tl1	Tl	0.25000	0.26680	0.50000	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.75000	0.25000	m_x,m_y,m_z	0.00000	3.10000	0.00000
2	0.25000	0.75000	0.75000	-m_x,m_y,-m_z	0.00000	3.10000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.75000	0.25000	0.75000	-m_x,-m_y,-m_z	0.00000	-3.10000	0.00000
4	0.75000	0.25000	0.25000	m_x,-m_y,m_z	0.00000	-3.10000	0.00000

Atom	x	y	z
1	0.27700	0.66100	0.11400
2	0.22300	0.66100	0.88600
3	0.22300	0.83900	0.38600
4	0.27700	0.83900	0.61400
(1/2,1/2,1/2)' + set click here to show and hide
5	0.77700	0.16100	0.61400
6	0.72300	0.16100	0.38600
7	0.72300	0.33900	0.88600
8	0.77700	0.33900	0.11400

Atom	x	y	z
1	0.47100	0.06600	0.21400
2	0.02900	0.06600	0.78600
3	0.02900	0.43400	0.28600
4	0.47100	0.43400	0.71400
(1/2,1/2,1/2)' + set click here to show and hide
5	0.97100	0.56600	0.71400
6	0.52900	0.56600	0.28600
7	0.52900	0.93400	0.78600
8	0.97100	0.93400	0.21400

Atom	x	y	z
1	0.25000	0.26680	0.50000
2	0.25000	0.23320	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.75000	0.76680	0.00000
4	0.75000	0.73320	0.50000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.25000	0.75000	0.25000	4	m_x,m_y,m_z	0.0	3.1(3)	0.0	3.10

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.75000	0.25000	m_x,m_y,m_z	0.00000	3.10000	0.00000
2	0.25000	0.75000	0.75000	-m_x,m_y,-m_z	0.00000	3.10000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.75000	0.25000	0.75000	-m_x,-m_y,-m_z	0.00000	-3.10000	0.00000
4	0.75000	0.25000	0.25000	m_x,-m_y,m_z	0.00000	-3.10000	0.00000

label	dim. small irrep	dim. full irrep	action	number of modes
mY1+	1	1	primary	3

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