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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1	Pr	0.00000	0.00000	0.00000	2	m_x,-m_x,0	0.57	-0.57	0.0	0.81

Non-magnetic atoms:

Label	Atom type	y	z	Multiplicity
Ni1	Ni	0.50000	0.25000	4
B1	B	0.00000	0.3515	4
C1	C	0.00000	0.50000	2

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,-m_x,0	0.57000	-0.57000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
2	0.50000	0.50000	0.50000	-m_x,m_x,0	-0.57000	0.57000	0.00000

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

Atom	x	y	z
1	0.00000	0.00000	0.35150
2	0.00000	0.00000	0.64850
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.85150
4	0.50000	0.50000	0.14850

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

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Pr1	Pr	0.00000	0.00000	0.00000	2	m_x,-m_x,0	0.57	-0.57	0.0	0.81

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,-m_x,0	0.57000	-0.57000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
2	0.50000	0.50000	0.50000	-m_x,m_x,0	-0.57000	0.57000	0.00000

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

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