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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	-x,-y,-z,+1	-1
4	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-y,z,-1	2'₀₀₁
7	-x,-y,-z,-1	-1'
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V	V	0.37500	0.12500	0.05839	16	m_x,m_y,0	1.3	0.0	0.0	1.30

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cl	Cl	0.12500	0.12500	0.33500	16
O	O	0.12500	0.12500	0.02400	16

[Show all atoms in unit cell and their moment relations]

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 V:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.37500	0.12500	0.05839	m_x,m_y,0	1.30000	0.00000	0.00000
2	0.62500	0.87500	0.94161	m_x,m_y,0	1.30000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.87500	0.12500	0.55839	m_x,m_y,0	1.30000	0.00000	0.00000
4	0.12500	0.87500	0.44161	m_x,m_y,0	1.30000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.87500	0.62500	0.05839	m_x,m_y,0	1.30000	0.00000	0.00000
6	0.12500	0.37500	0.94161	m_x,m_y,0	1.30000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
7	0.37500	0.62500	0.55839	m_x,m_y,0	1.30000	0.00000	0.00000
8	0.62500	0.37500	0.44161	m_x,m_y,0	1.30000	0.00000	0.00000
(1/2,0,0)' + set click here to show and hide
9	0.87500	0.12500	0.05839	-m_x,-m_y,0	-1.30000	0.00000	0.00000
10	0.12500	0.87500	0.94161	-m_x,-m_y,0	-1.30000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.37500	0.12500	0.55839	-m_x,-m_y,0	-1.30000	0.00000	0.00000
12	0.62500	0.87500	0.44161	-m_x,-m_y,0	-1.30000	0.00000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.87500	0.62500	0.55839	-m_x,-m_y,0	-1.30000	0.00000	0.00000
14	0.12500	0.37500	0.44161	-m_x,-m_y,0	-1.30000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
15	0.37500	0.62500	0.05839	-m_x,-m_y,0	-1.30000	0.00000	0.00000
16	0.62500	0.37500	0.94161	-m_x,-m_y,0	-1.30000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.12500	0.12500	0.33500
2	0.87500	0.87500	0.66500
(1/2,0,1/2) + set click here to show and hide
3	0.62500	0.12500	0.83500
4	0.37500	0.87500	0.16500
(1/2,1/2,0) + set click here to show and hide
5	0.62500	0.62500	0.33500
6	0.37500	0.37500	0.66500
(0,1/2,1/2) + set click here to show and hide
7	0.12500	0.62500	0.83500
8	0.87500	0.37500	0.16500
(1/2,0,0)' + set click here to show and hide
9	0.62500	0.12500	0.33500
10	0.37500	0.87500	0.66500
(0,0,1/2)' + set click here to show and hide
11	0.12500	0.12500	0.83500
12	0.87500	0.87500	0.16500
(1/2,1/2,1/2)' + set click here to show and hide
13	0.62500	0.62500	0.83500
14	0.37500	0.37500	0.16500
(0,1/2,0)' + set click here to show and hide
15	0.12500	0.62500	0.33500
16	0.87500	0.37500	0.66500

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

Atom	x	y	z
1	0.12500	0.12500	0.02400
2	0.87500	0.87500	0.97600
(1/2,0,1/2) + set click here to show and hide
3	0.62500	0.12500	0.52400
4	0.37500	0.87500	0.47600
(1/2,1/2,0) + set click here to show and hide
5	0.62500	0.62500	0.02400
6	0.37500	0.37500	0.97600
(0,1/2,1/2) + set click here to show and hide
7	0.12500	0.62500	0.52400
8	0.87500	0.37500	0.47600
(1/2,0,0)' + set click here to show and hide
9	0.62500	0.12500	0.02400
10	0.37500	0.87500	0.97600
(0,0,1/2)' + set click here to show and hide
11	0.12500	0.12500	0.52400
12	0.87500	0.87500	0.47600
(1/2,1/2,1/2)' + set click here to show and hide
13	0.62500	0.62500	0.52400
14	0.37500	0.37500	0.47600
(0,1/2,0)' + set click here to show and hide
15	0.12500	0.62500	0.02400
16	0.87500	0.37500	0.97600

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
V	V	0.37500	0.12500	0.05839	16	m_x,m_y,0	1.3	0.0	0.0	1.30

[Show all magnetic atoms in unit cell and their moment relations]

label	dim. full irrep	dim. small irrep	direction	action
mR1	2	2	special	primary

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

VOCl (#1.37)