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+1/2,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x,-y,z+1/2,+1	{ 2₀₀₁ \| 0 0 1/2 }
4	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
7	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
8	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
(0,0,1/2)' + set click here to show and hide
9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
11	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
12	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
13	-x,-y,-z+1/2,-1	{ -1' \| 0 0 1/2 }
14	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
15	x,y,-z,-1	{ m'₀₀₁ \| 0 }
16	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }

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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	-x,y,-z,+1	2₀₁₀
3	-x,-y,z,+1	2₀₀₁
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	x,y,-z,+1	m₀₀₁
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	-x,-y,z,-1	2'₀₀₁
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	x,y,-z,-1	m'₀₀₁
16	-x,y,z,-1	m'₁₀₀

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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	m_x,m_y,0	0.0	0.0	0.0	0.00
Fe2	Fe	0.25790	0.09380	0.25000	8	0,0,m_z	0.0	0.0	3.21(1)	3.21

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.59378	0.15631	0.00000	8
S1	S	0.90106	0.16083	0.25000	8
O1	O	0.00000	0.50000	0.25000	4
O2	O	0.73210	0.40890	0.00000	8

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	m_x,m_y,0	0.00000	0.00000	0.00000
2	0.50000	0.50000	0.50000	-m_x,m_y,0	0.00000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000	-m_x,-m_y,0	0.00000	0.00000	0.00000
4	0.50000	0.50000	0.00000	m_x,-m_y,0	0.00000	0.00000	0.00000

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	0.25790	0.09380	0.25000	0,0,m_z	0.00000	0.00000	3.21000
2	0.24210	0.59380	0.25000	0,0,-m_z	0.00000	0.00000	-3.21000
3	0.74210	0.90620	0.75000	0,0,m_z	0.00000	0.00000	3.21000
4	0.75790	0.40620	0.75000	0,0,-m_z	0.00000	0.00000	-3.21000
(0,0,1/2)' + set click here to show and hide
5	0.25790	0.09380	0.75000	0,0,-m_z	0.00000	0.00000	-3.21000
6	0.24210	0.59380	0.75000	0,0,m_z	0.00000	0.00000	3.21000
7	0.74210	0.90620	0.25000	0,0,-m_z	0.00000	0.00000	-3.21000
8	0.75790	0.40620	0.25000	0,0,m_z	0.00000	0.00000	3.21000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.59378	0.15631	0.00000
2	0.90622	0.65631	0.50000
3	0.40622	0.84369	0.50000
4	0.09378	0.34369	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.59378	0.15631	0.50000
6	0.90622	0.65631	0.00000
7	0.40622	0.84369	0.00000
8	0.09378	0.34369	0.50000

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.90106	0.16083	0.25000
2	0.59894	0.66083	0.25000
3	0.09894	0.83917	0.75000
4	0.40106	0.33917	0.75000
(0,0,1/2)' + set click here to show and hide
5	0.90106	0.16083	0.75000
6	0.59894	0.66083	0.75000
7	0.09894	0.83917	0.25000
8	0.40106	0.33917	0.25000

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

Atom	x	y	z
1	0.00000	0.50000	0.25000
2	0.50000	0.00000	0.25000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.75000
4	0.50000	0.00000	0.75000

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

Atom	x	y	z
1	0.73210	0.40890	0.00000
2	0.76790	0.90890	0.50000
3	0.26790	0.59110	0.50000
4	0.23210	0.09110	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.73210	0.40890	0.50000
6	0.76790	0.90890	0.00000
7	0.26790	0.59110	0.00000
8	0.23210	0.09110	0.50000

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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	m_x,m_y,0	0.0	0.0	0.0	0.00
Fe2	Fe	0.25790	0.09380	0.25000	8	0,0,m_z	0.0	0.0	3.21(1)	3.21

label	dim. small irrep	dim. full irrep	action	number of modes
mZ3+	1	1	primary	3

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