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	y+1/2,x+1/2,-z+1/2,+1	{ 2₁₁₀ \| 1/2 1/2 1/2 }
3	-y,-x,-z,+1	{ 2_1-10 \| 0 }
4	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
5	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
6	-y,-x,z,+1	{ m₁₁₀ \| 0 }
7	y+1/2,x+1/2,z+1/2,+1	{ m_1-10 \| 1/2 1/2 1/2 }
8	x,y,-z,+1	{ m₀₀₁ \| 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	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
11	-y+1/2,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 1/2 1/2 1/2 }
12	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
13	-x,-y,-z,-1	{ -1' \| 0 }
14	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }
15	y,x,z,-1	{ m'_1-10 \| 0 }
16	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 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:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	y,x,-z,+1	2₁₁₀
3	-y,-x,-z,+1	2_1-10
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-y,-x,z,+1	m₁₁₀
7	y,x,z,+1	m_1-10
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	y,x,-z,-1	2'₁₁₀
11	-y,-x,-z,-1	2'_1-10
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-y,-x,z,-1	m'₁₁₀
15	y,x,z,-1	m'_1-10
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\|
Ce1	Ce	0.00000	0.00000	0.32300	1.	4	m_x,m_x,0	0.54	0.54	0.0	0.76

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sc1	Sc	0.00000	0.50000	0.00000	0.944	4
Ge1	Ge	0.00000	0.00000	0.12120	1.	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.32300	m_x,m_x,0	0.54000	0.54000	0.00000
2	0.50000	0.50000	0.17700	m_x,m_x,0	0.54000	0.54000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.82300	-m_x,-m_x,0	-0.54000	-0.54000	0.00000
4	0.00000	0.00000	0.67700	-m_x,-m_x,0	-0.54000	-0.54000	0.00000

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

Atom	x	y	z
1	0.00000	0.00000	0.12120
2	0.50000	0.50000	0.37880
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.62120
4	0.00000	0.00000	0.87880

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ce1	Ce	0.00000	0.00000	0.32300	4	m_x,m_x,0	0.54	0.54	0.0	0.76

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.32300	m_x,m_x,0	0.54000	0.54000	0.00000
2	0.50000	0.50000	0.17700	m_x,m_x,0	0.54000	0.54000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.82300	-m_x,-m_x,0	-0.54000	-0.54000	0.00000
4	0.00000	0.00000	0.67700	-m_x,-m_x,0	-0.54000	-0.54000	0.00000

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mM5-	2	2	special	primary	1

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