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):

[Hide]

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

[Hide]

Transformation matrix from the working setting (a,b,c) to the standard setting of the magnetic space group (a_s,b_s,c_s):

[Hide]

Symmetry operations of the magnetic point group in the setting used:

[Hide]

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	0.00000	1	4	m_x,m_y,0	1.26	1.26	0.0	1.78

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Pr1	Pr	0.00000	0.50000	0.25000	0.5	4
Sr1	Sr	0.00000	0.50000	0.25000	0.4	4
Ca1	Ca	0.00000	0.50000	0.25000	0.1	4
O1	O	0.00000	0.00000	0.25000	1	4
O2_1	O	0.2809(3)	0.7809(3)	0.00000	1	4
O2_2	O	0.2191(3)	0.2809(3)	0.00000	1	4

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,0	1.26000	1.26000	0.00000
2	0.50000	0.50000	0.00000	m_y,m_x,0	1.26000	1.26000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000	m_x,m_y,0	1.26000	1.26000	0.00000
4	0.00000	0.00000	0.50000	m_y,m_x,0	1.26000	1.26000	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	0.50000	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	0.50000	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	0.25000
2	0.00000	0.00000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.75000
4	0.50000	0.50000	0.25000

Atom	x	y	z
1	0.28090	0.78090	0.00000
2	0.71910	0.21910	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.78090	0.28090	0.50000
4	0.21910	0.71910	0.50000

Atom	x	y	z
1	0.21910	0.28090	0.00000
2	0.78090	0.71910	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.71910	0.78090	0.50000
4	0.28090	0.21910	0.50000

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.00000	0.00000	4	m_x,m_y,0	1.26	1.26	0.0	1.78

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,0	1.26000	1.26000	0.00000
2	0.50000	0.50000	0.00000	m_y,m_x,0	1.26000	1.26000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000	m_x,m_y,0	1.26000	1.26000	0.00000
4	0.00000	0.00000	0.50000	m_y,m_x,0	1.26000	1.26000	0.00000

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM5+	2	2	special	primary	2

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