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,-y,-z,+1	{ 2₁₀₀ \| 0 }
3	-x+y,y,-z+1/2,+1	{ 2₁₂₀ \| 0 0 1/2 }
4	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x+y,y,z,+1	{ m₁₀₀ \| 0 }
7	x-y,-y,z+1/2,+1	{ m₁₂₀ \| 0 0 1/2 }
8	x,y,-z+1/2,+1	{ m₀₀₁ \| 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,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
11	-x+y,y,-z,-1	{ 2'₁₂₀ \| 0 }
12	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
13	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
14	-x+y,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
15	x-y,-y,z,-1	{ m'₁₂₀ \| 0 }
16	x,y,-z,-1	{ m'₀₀₁ \| 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,-y,-z,+1	2₁₀₀
3	-x+y,y,-z,+1	2₁₂₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-x+y,y,z,+1	m₁₀₀
7	x-y,-y,z,+1	m₁₂₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x-y,-y,-z,-1	2'₁₀₀
11	-x+y,y,-z,-1	2'₁₂₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-x+y,y,z,-1	m'₁₀₀
15	x-y,-y,z,-1	m'₁₂₀
16	x,y,-z,-1	m'₀₀₁

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ho1	Ho	0.00000	0.00000	0.00000	1.	2	m_x,0,0	6.2(6)	0.0	0.0	6.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ge1	Ge	0.333333	0.666667	0.25000	0.75	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	6.20000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000	-m_x,0,0	-6.20000	0.00000	0.00000

Atom	x	y	z
1	0.33333	0.66667	0.25000
2	0.66667	0.33333	0.75000
(0,0,1/2)' + set click here to show and hide
3	0.33333	0.66667	0.75000
4	0.66667	0.33333	0.25000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ho1	Ho	0.00000	0.00000	0.00000	2	m_x,0,0	6.2(6)	0.0	0.0	6.20

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	6.20000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
2	0.00000	0.00000	0.50000	-m_x,0,0	-6.20000	0.00000	0.00000

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mA6+	2	2	special	primary	1

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