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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.16610	0.00000	8	m_x,0,m_z	0.80(7)	0.0	2.49(2)	2.35

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Li1	Li	0.00000	0.50000	0.00000	4
Li2	Li	0.00000	0.00000	0.25000	4
Li3	Li	0.00000	0.66170	0.25000	8
O1	O	0.21900	0.00000	0.11300	8
O2	O	0.25330	0.32380	0.11155	16

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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.16610	0.00000	m_x,0,m_z	0.80000	0.00000	2.49000
2	0.00000	0.83390	0.50000	m_x,0,m_z	0.80000	0.00000	2.49000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.66610	0.00000	m_x,0,m_z	0.80000	0.00000	2.49000
4	0.50000	0.33390	0.50000	m_x,0,m_z	0.80000	0.00000	2.49000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.16610	0.50000	-m_x,0,-m_z	-0.80000	0.00000	-2.49000
6	0.00000	0.83390	0.00000	-m_x,0,-m_z	-0.80000	0.00000	-2.49000
(1/2,1/2,1/2)' + set click here to show and hide
7	0.50000	0.66610	0.50000	-m_x,0,-m_z	-0.80000	0.00000	-2.49000
8	0.50000	0.33390	0.00000	-m_x,0,-m_z	-0.80000	0.00000	-2.49000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Li1:

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

Set of atoms in the unit cell related by symmetry with the atom Li2:

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

Set of atoms in the unit cell related by symmetry with the atom Li3:

Atom	x	y	z
1	0.00000	0.66170	0.25000
2	0.00000	0.33830	0.25000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.16170	0.25000
4	0.50000	0.83830	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.66170	0.75000
6	0.00000	0.33830	0.75000
(1/2,1/2,1/2)' + set click here to show and hide
7	0.50000	0.16170	0.75000
8	0.50000	0.83830	0.75000

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

Atom	x	y	z
1	0.21900	0.00000	0.11300
2	0.78100	0.00000	0.38700
(1/2,1/2,0) + set click here to show and hide
3	0.71900	0.50000	0.11300
4	0.28100	0.50000	0.38700
(0,0,1/2)' + set click here to show and hide
5	0.21900	0.00000	0.61300
6	0.78100	0.00000	0.88700
(1/2,1/2,1/2)' + set click here to show and hide
7	0.71900	0.50000	0.61300
8	0.28100	0.50000	0.88700

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

Atom	x	y	z
1	0.25330	0.32380	0.11155
2	0.74670	0.32380	0.38845
3	0.74670	0.67620	0.38845
4	0.25330	0.67620	0.11155
(1/2,1/2,0) + set click here to show and hide
5	0.75330	0.82380	0.11155
6	0.24670	0.82380	0.38845
7	0.24670	0.17620	0.38845
8	0.75330	0.17620	0.11155
(0,0,1/2)' + set click here to show and hide
9	0.25330	0.32380	0.61155
10	0.74670	0.32380	0.88845
11	0.74670	0.67620	0.88845
12	0.25330	0.67620	0.61155
(1/2,1/2,1/2)' + set click here to show and hide
13	0.75330	0.82380	0.61155
14	0.24670	0.82380	0.88845
15	0.24670	0.17620	0.88845
16	0.75330	0.17620	0.61155

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.16610	0.00000	8	m_x,0,m_z	0.80(7)	0.0	2.49(2)	2.35

label	dim. small irrep	dim. full irrep	action	number of modes
mA2-	1	1	primary	2

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