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	{ 2₀₀₁ \| 0 0 1/2 }
3	x+1/2,-y+1/2,-z+3/4,+1	{ 2₁₀₀ \| 1/2 1/2 3/4 }
4	-x+1/2,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 1/2 1/2 1/4 }
5	-x+1/2,-y+1/2,-z+3/4,+1	{ -1 \| 1/2 1/2 3/4 }
6	x+1/2,y+1/2,-z+1/4,+1	{ m₀₀₁ \| 1/2 1/2 1/4 }
7	-x,y,z,+1	{ m₁₀₀ \| 0 }
8	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
11	x+1/2,-y+1/2,-z+1/4,-1	{ 2'₁₀₀ \| 1/2 1/2 1/4 }
12	-x+1/2,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 1/2 1/2 3/4 }
13	-x+1/2,-y+1/2,-z+1/4,-1	{ -1' \| 1/2 1/2 1/4 }
14	x+1/2,y+1/2,-z+3/4,-1	{ m'₀₀₁ \| 1/2 1/2 3/4 }
15	-x,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
16	x,-y,z,-1	{ m'₀₁₀ \| 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	2₀₀₁
3	x,-y,-z,+1	2₁₀₀
4	-x,y,-z,+1	2₀₁₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	-x,y,z,+1	m₁₀₀
8	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	x,-y,-z,-1	2'₁₀₀
12	-x,y,-z,-1	2'₀₁₀
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	-x,y,z,-1	m'₁₀₀
16	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\|
Er1	Er	0.00000	0.00000	0.00000	4	m_x,0,0	7.4(3)	0.0	0.0	7.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Fe1_1	Fe	0.00000	0.50000	0.12500	4
Fe1_2	Fe	0.50000	0.00000	0.37500	4
Si1_1	Si	0.00000	0.00000	0.18720	4
Si1_2	Si	0.00000	0.00000	0.81280	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	7.40000	0.00000	0.00000
2	0.50000	0.50000	0.75000	m_x,0,0	7.40000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000	-m_x,0,0	-7.40000	0.00000	0.00000
4	0.50000	0.50000	0.25000	-m_x,0,0	-7.40000	0.00000	0.00000

Atom	x	y	z
1	0.00000	0.50000	0.12500
2	0.50000	0.00000	0.62500
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.62500
4	0.50000	0.00000	0.12500

Atom	x	y	z
1	0.50000	0.00000	0.37500
2	0.00000	0.50000	0.37500
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.87500
4	0.00000	0.50000	0.87500

Atom	x	y	z
1	0.00000	0.00000	0.18720
2	0.50000	0.50000	0.56280
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3	0.00000	0.00000	0.68720
4	0.50000	0.50000	0.06280

Atom	x	y	z
1	0.00000	0.00000	0.81280
2	0.50000	0.50000	0.93720
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.31280
4	0.50000	0.50000	0.43720

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.00000	0.00000	0.00000	4	m_x,0,0	7.4(3)	0.0	0.0	7.40

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	7.40000	0.00000	0.00000
2	0.50000	0.50000	0.75000	m_x,0,0	7.40000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000	-m_x,0,0	-7.40000	0.00000	0.00000
4	0.50000	0.50000	0.25000	-m_x,0,0	-7.40000	0.00000	0.00000

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mLD5	4	2	special	primary	1

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