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+1/2,z,+1	{ 2₀₀₁ \| 0 1/2 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
5	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
6	-x,y+1/2,-z,-1	{ 2'₀₁₀ \| 0 1/2 0 }
7	-x,y,z,-1	{ m'₁₀₀ \| 0 }
8	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 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	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
11	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
12	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
13	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
14	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
15	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
16	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 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:

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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\|
Co1	Co	0.00000	0.00000	0.50000	1.	4	0,m_y,m_z	0.0	0.0	1.49(3)	1.49

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Pr1	Pr	0.00000	0.25000	0.99950	0.5	4
Sr1	Sr	0.00000	0.25000	0.99950	0.5	4
O1	O	0.00000	0.25000	0.45400	1.	4
O2	O	0.25000	0.52330	0.25000	1.	8

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	0,m_y,m_z	0.00000	0.00000	1.49000
2	0.00000	0.50000	0.50000	0,-m_y,m_z	0.00000	0.00000	1.49000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.00000	0,m_y,m_z	0.00000	0.00000	1.49000
4	0.50000	0.00000	0.00000	0,-m_y,m_z	0.00000	0.00000	1.49000

Atom	x	y	z
1	0.00000	0.25000	0.99950
2	0.00000	0.75000	0.00050
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.49950
4	0.50000	0.25000	0.50050

Atom	x	y	z
1	0.00000	0.25000	0.99950
2	0.00000	0.75000	0.00050
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.49950
4	0.50000	0.25000	0.50050

Atom	x	y	z
1	0.00000	0.25000	0.45400
2	0.00000	0.75000	0.54600
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.75000	0.95400
4	0.50000	0.25000	0.04600

Atom	x	y	z
1	0.25000	0.52330	0.25000
2	0.75000	0.97670	0.25000
3	0.75000	0.47670	0.75000
4	0.25000	0.02330	0.75000
(1/2,1/2,1/2) + set click here to show and hide
5	0.75000	0.02330	0.75000
6	0.25000	0.47670	0.75000
7	0.25000	0.97670	0.25000
8	0.75000	0.52330	0.25000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.50000	4	0,m_y,m_z	0.0	0.0	1.49(3)	1.49

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	0,m_y,m_z	0.00000	0.00000	1.49000
2	0.00000	0.50000	0.50000	0,-m_y,m_z	0.00000	0.00000	1.49000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.00000	0,m_y,m_z	0.00000	0.00000	1.49000
4	0.50000	0.00000	0.00000	0,-m_y,m_z	0.00000	0.00000	1.49000

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	2

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