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+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
4	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
(1/2,0,0)' + set click here to show and hide
5	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
6	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	x,-y,z+1/2,-1	{ m'₀₁₀ \| 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	-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\|
Fe1	Fe	0.25000	0.67440	0.25000	4	m_x,0,m_z	-1.92	0.0	1.06	2.19

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
W1	W	0.00000	0.17990	0.25000	4
O1	O	0.10640	0.10610	0.56520	8
O2	O	0.12690	0.37640	0.10590	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.67440	0.25000	m_x,0,m_z	-1.92000	0.00000	1.06000
2	0.25000	0.32560	0.75000	m_x,0,m_z	-1.92000	0.00000	1.06000
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.67440	0.25000	-m_x,0,-m_z	1.92000	0.00000	-1.06000
4	0.75000	0.32560	0.75000	-m_x,0,-m_z	1.92000	0.00000	-1.06000

Atom	x	y	z
1	0.00000	0.17990	0.25000
2	0.50000	0.82010	0.75000
(1/2,0,0)' + set click here to show and hide
3	0.50000	0.17990	0.25000
4	0.00000	0.82010	0.75000

Atom	x	y	z
1	0.10640	0.10610	0.56520
2	0.89360	0.10610	0.93480
3	0.39360	0.89390	0.43480
4	0.60640	0.89390	0.06520
(1/2,0,0)' + set click here to show and hide
5	0.60640	0.10610	0.56520
6	0.39360	0.10610	0.93480
7	0.89360	0.89390	0.43480
8	0.10640	0.89390	0.06520

Atom	x	y	z
1	0.12690	0.37640	0.10590
2	0.87310	0.37640	0.39410
3	0.37310	0.62360	0.89410
4	0.62690	0.62360	0.60590
(1/2,0,0)' + set click here to show and hide
5	0.62690	0.37640	0.10590
6	0.37310	0.37640	0.39410
7	0.87310	0.62360	0.89410
8	0.12690	0.62360	0.60590

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.67440	0.25000	4	m_x,0,m_z	-1.92	0.0	1.06	2.19

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.67440	0.25000	m_x,0,m_z	-1.92000	0.00000	1.06000
2	0.25000	0.32560	0.75000	m_x,0,m_z	-1.92000	0.00000	1.06000
(1/2,0,0)' + set click here to show and hide
3	0.75000	0.67440	0.25000	-m_x,0,-m_z	1.92000	0.00000	-1.06000
4	0.75000	0.32560	0.75000	-m_x,0,-m_z	1.92000	0.00000	-1.06000

label	dim. small irrep	dim. full irrep	action	number of modes
mY1-	1	1	primary	2

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