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	{ 2₁₀₀ \| 0 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x,y,z,+1	{ m₁₀₀ \| 0 }
5	-x,-y,z,-1	{ 2'₀₀₁ \| 0 }
6	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
7	x,y,-z,-1	{ m'₀₀₁ \| 0 }
8	x,-y,z,-1	{ m'₀₁₀ \| 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+1/2,-z+1/2,+1	{ 2₁₀₀ \| 1/2 1/2 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+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
13	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
14	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
15	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }
16	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }

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Magnetic atoms:

Label	Atom type	x	y	Occupancy	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Fe1_1	Fe	0.00000	0.50000	0.5	2	m_x,0,0	3.44(5)	3.44
Fe1_2	Fe	0.50000	0.00000	0.5	2	m_x,0,0	-3.44	3.44
Mn1_1	Mn	0.00000	0.50000	0.5	2	m_x,0,0	3.44	3.44
Mn1_2	Mn	0.50000	0.00000	0.5	2	m_x,0,0	-3.44	3.44

Non-magnetic atoms:

Label	Atom type	y	z	Occupancy	Multiplicity
La1	La	0.00000	0.68310	1.	4
O1	O	0.50000	0.25000	1.	4
O2	O	0.00000	0.50000	1.	2
Se1	Se	0.00000	0.09950	1.	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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,0,0	3.44000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.00000	0.50000	m_x,0,0	3.44000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,0,0	-3.44000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000	m_x,0,0	-3.44000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.50000	0.00000	m_x,0,0	3.44000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.50000	0.00000	0.50000	m_x,0,0	3.44000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,0,0	-3.44000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000	m_x,0,0	-3.44000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1:

Atom	x	y	z
1	0.00000	0.00000	0.68310
2	0.00000	0.00000	0.31690
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.18310
4	0.50000	0.50000	0.81690

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	0.00000	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

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

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

Set of atoms in the unit cell related by symmetry with the atom Se1:

Atom	x	y	z
1	0.00000	0.00000	0.09950
2	0.00000	0.00000	0.90050
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.59950
4	0.50000	0.50000	0.40050

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Label	Atom type	x	y	Occupancy	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Fe1_1	Fe	0.00000	0.50000	0.5	2	m_x,0,0	3.44(5)	3.44
Fe1_2	Fe	0.50000	0.00000	0.5	2	m_x,0,0	-3.44	3.44
Mn1_1	Mn	0.00000	0.50000	0.5	2	m_x,0,0	3.44	3.44
Mn1_2	Mn	0.50000	0.00000	0.5	2	m_x,0,0	-3.44	3.44

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