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+3/4,-y+1/4,z,+1	{ 2₀₀₁ \| 3/4 1/4 0 }
3	-y,-x+1/2,-z,+1	{ 2_1-10 \| 0 1/2 0 }
4	y+1/4,x+1/4,-z,+1	{ 2₁₁₀ \| 1/4 1/4 0 }
5	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
6	x+1/4,y+3/4,-z,+1	{ m₀₀₁ \| 1/4 3/4 0 }
7	y+1/2,x,z,+1	{ m_1-10 \| 1/2 0 0 }
8	-y+3/4,-x+3/4,z,+1	{ m₁₁₀ \| 3/4 3/4 0 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-x+1/4,-y+3/4,z,+1	{ 2₀₀₁ \| 1/4 3/4 0 }
11	-y+1/2,-x,-z,+1	{ 2_1-10 \| 1/2 0 0 }
12	y+3/4,x+3/4,-z,+1	{ 2₁₁₀ \| 3/4 3/4 0 }
13	-x,-y,-z,+1	{ -1 \| 0 }
14	x+3/4,y+1/4,-z,+1	{ m₀₀₁ \| 3/4 1/4 0 }
15	y,x+1/2,z,+1	{ m_1-10 \| 0 1/2 0 }
16	-y+1/4,-x+1/4,z,+1	{ m₁₁₀ \| 1/4 1/4 0 }
(1/2,0,0)' + set click here to show and hide
17	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
18	-x+1/4,-y+1/4,z,-1	{ 2'₀₀₁ \| 1/4 1/4 0 }
19	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
20	y+3/4,x+1/4,-z,-1	{ 2'₁₁₀ \| 3/4 1/4 0 }
21	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
22	x+3/4,y+3/4,-z,-1	{ m'₀₀₁ \| 3/4 3/4 0 }
23	y,x,z,-1	{ m'_1-10 \| 0 }
24	-y+1/4,-x+3/4,z,-1	{ m'₁₁₀ \| 1/4 3/4 0 }
(0,1/2,0)' + set click here to show and hide
25	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
26	-x+3/4,-y+3/4,z,-1	{ 2'₀₀₁ \| 3/4 3/4 0 }
27	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
28	y+1/4,x+3/4,-z,-1	{ 2'₁₁₀ \| 1/4 3/4 0 }
29	-x+1/2,-y,-z,-1	{ -1' \| 1/2 0 0 }
30	x+1/4,y+1/4,-z,-1	{ m'₀₀₁ \| 1/4 1/4 0 }
31	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
32	-y+3/4,-x+1/4,z,-1	{ m'₁₁₀ \| 3/4 1/4 0 }

[Hide]

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	2₀₀₁
3	-y,-x,-z,+1	2_1-10
4	y,x,-z,+1	2₁₁₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	y,x,z,+1	m_1-10
8	-y,-x,z,+1	m₁₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	-y,-x,-z,-1	2'_1-10
12	y,x,-z,-1	2'₁₁₀
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	y,x,z,-1	m'_1-10
16	-y,-x,z,-1	m'₁₁₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.12500	0.12500	0.08570	8	m_x,m_x,0	0.445	0.445	0.0	0.63

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Li1_1	Li	0.00000	0.00000	0.50000	8
Li1_2	Li	0.25000	0.00000	0.50000	8
Si1	Si	0.37500	0.12500	0.00000	8
O1	O	0.12500	0.47835	0.21800	32
O2	O	0.12500	0.12500	0.72090	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 V1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12500	0.12500	0.08570	m_x,m_x,0	0.44500	0.44500	0.00000
2	0.87500	0.37500	0.91430	-m_x,-m_x,0	-0.44500	-0.44500	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.62500	0.62500	0.08570	m_x,m_x,0	0.44500	0.44500	0.00000
4	0.37500	0.87500	0.91430	-m_x,-m_x,0	-0.44500	-0.44500	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.62500	0.12500	0.08570	-m_x,-m_x,0	-0.44500	-0.44500	0.00000
6	0.37500	0.37500	0.91430	m_x,m_x,0	0.44500	0.44500	0.00000
(0,1/2,0)' + set click here to show and hide
7	0.12500	0.62500	0.08570	-m_x,-m_x,0	-0.44500	-0.44500	0.00000
8	0.87500	0.87500	0.91430	m_x,m_x,0	0.44500	0.44500	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Li1_1:

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

Set of atoms in the unit cell related by symmetry with the atom Li1_2:

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

Set of atoms in the unit cell related by symmetry with the atom Si1:

Atom	x	y	z
1	0.37500	0.12500	0.00000
2	0.12500	0.37500	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.87500	0.62500	0.00000
4	0.62500	0.87500	0.00000
(1/2,0,0)' + set click here to show and hide
5	0.87500	0.12500	0.00000
6	0.62500	0.37500	0.00000
(0,1/2,0)' + set click here to show and hide
7	0.37500	0.62500	0.00000
8	0.12500	0.87500	0.00000

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

Atom	x	y	z
1	0.12500	0.47835	0.21800
2	0.62500	0.77165	0.21800
3	0.52165	0.37500	0.78200
4	0.72835	0.37500	0.78200
5	0.37500	0.02165	0.78200
6	0.37500	0.22835	0.78200
7	0.97835	0.12500	0.21800
8	0.27165	0.62500	0.21800
(1/2,1/2,0) + set click here to show and hide
9	0.62500	0.97835	0.21800
10	0.12500	0.27165	0.21800
11	0.02165	0.87500	0.78200
12	0.22835	0.87500	0.78200
13	0.87500	0.52165	0.78200
14	0.87500	0.72835	0.78200
15	0.47835	0.62500	0.21800
16	0.77165	0.12500	0.21800
(1/2,0,0)' + set click here to show and hide
17	0.62500	0.47835	0.21800
18	0.12500	0.77165	0.21800
19	0.02165	0.37500	0.78200
20	0.22835	0.37500	0.78200
21	0.87500	0.02165	0.78200
22	0.87500	0.22835	0.78200
23	0.47835	0.12500	0.21800
24	0.77165	0.62500	0.21800
(0,1/2,0)' + set click here to show and hide
25	0.12500	0.97835	0.21800
26	0.62500	0.27165	0.21800
27	0.52165	0.87500	0.78200
28	0.72835	0.87500	0.78200
29	0.37500	0.52165	0.78200
30	0.37500	0.72835	0.78200
31	0.97835	0.62500	0.21800
32	0.27165	0.12500	0.21800

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

Atom	x	y	z
1	0.12500	0.12500	0.72090
2	0.87500	0.37500	0.27910
(1/2,1/2,0) + set click here to show and hide
3	0.62500	0.62500	0.72090
4	0.37500	0.87500	0.27910
(1/2,0,0)' + set click here to show and hide
5	0.62500	0.12500	0.72090
6	0.37500	0.37500	0.27910
(0,1/2,0)' + set click here to show and hide
7	0.12500	0.62500	0.72090
8	0.87500	0.87500	0.27910

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V1	V	0.12500	0.12500	0.08570	8	m_x,m_x,0	0.445	0.445	0.0	0.63

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mM1	2	2	special	primary	1

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