MAGNDATA - Collection of Magnetic Structures

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,z,+1	{ 2₀₀₁ \| 0 }
3	x,-y+1/2,z,-1	{ m'₀₁₀ \| 0 1/2 0 }
4	-x,y+1/2,z,-1	{ m'₁₀₀ \| 0 1/2 0 }
(1/2,1/2,1/2) + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
6	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
7	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
8	-x+1/2,y,z+1/2,-1	{ m'₁₀₀ \| 1/2 0 1/2 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	3.92(3)	3.92
Fe2	Fe	0.06450	0.75000	0.98330	4	m_x,0,m_z	0.0	0.0	-3.92(3)	3.92

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.01630	0.10890	0.49890	8
O1	O	0.25740	0.99123	0.25370	8
O2	O	0.05000	0.14109	0.00100	8
O3	O	0.14320	0.75000	0.62240	4

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Magnetic atoms:

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.92000
2	0.00000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	3.92000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.50000	0,0,m_z	0.00000	0.00000	3.92000
4	0.50000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	3.92000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.06450	0.75000	0.98330	m_x,0,m_z	0.00000	0.00000	-3.92000
2	0.93550	0.25000	0.98330	-m_x,0,m_z	0.00000	0.00000	-3.92000
(1/2,1/2,1/2) + set click here to show and hide
3	0.56450	0.25000	0.48330	m_x,0,m_z	0.00000	0.00000	-3.92000
4	0.43550	0.75000	0.48330	-m_x,0,m_z	0.00000	0.00000	-3.92000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.01630	0.10890	0.49890
2	0.98370	0.89110	0.49890
3	0.01630	0.39110	0.49890
4	0.98370	0.60890	0.49890
(1/2,1/2,1/2) + set click here to show and hide
5	0.51630	0.60890	0.99890
6	0.48370	0.39110	0.99890
7	0.51630	0.89110	0.99890
8	0.48370	0.10890	0.99890

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.25740	0.99123	0.25370
2	0.74260	0.00877	0.25370
3	0.25740	0.50877	0.25370
4	0.74260	0.49123	0.25370
(1/2,1/2,1/2) + set click here to show and hide
5	0.75740	0.49123	0.75370
6	0.24260	0.50877	0.75370
7	0.75740	0.00877	0.75370
8	0.24260	0.99123	0.75370

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.05000	0.14109	0.00100
2	0.95000	0.85891	0.00100
3	0.05000	0.35891	0.00100
4	0.95000	0.64109	0.00100
(1/2,1/2,1/2) + set click here to show and hide
5	0.55000	0.64109	0.50100
6	0.45000	0.35891	0.50100
7	0.55000	0.85891	0.50100
8	0.45000	0.14109	0.50100

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.14320	0.75000	0.62240
2	0.85680	0.25000	0.62240
(1/2,1/2,1/2) + set click here to show and hide
3	0.64320	0.25000	0.12240
4	0.35680	0.75000	0.12240

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	3.92(3)	3.92
Fe2	Fe	0.06450	0.75000	0.98330	4	m_x,0,m_z	0.0	0.0	-3.92(3)	3.92

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2	1	1	primary	3

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