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	{ -1 \| 0 }
3	x-y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
4	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
(1/5,2/5,0) + set click here to show and hide
5	x+1/5,y+2/5,z,+1	{ 1 \| 1/5 2/5 0 }
6	-x+1/5,-y+2/5,-z,+1	{ -1 \| 1/5 2/5 0 }
7	x-y+1/5,-y+2/5,-z,-1	{ 2'₁₀₀ \| 1/5 2/5 0 }
8	-x+y+1/5,y+2/5,z,-1	{ m'₁₀₀ \| 1/5 2/5 0 }
(2/5,4/5,0) + set click here to show and hide
9	x+2/5,y+4/5,z,+1	{ 1 \| 2/5 4/5 0 }
10	-x+2/5,-y+4/5,-z,+1	{ -1 \| 2/5 4/5 0 }
11	x-y+2/5,-y+4/5,-z,-1	{ 2'₁₀₀ \| 2/5 4/5 0 }
12	-x+y+2/5,y+4/5,z,-1	{ m'₁₀₀ \| 2/5 4/5 0 }
(3/5,1/5,0) + set click here to show and hide
13	x+3/5,y+1/5,z,+1	{ 1 \| 3/5 1/5 0 }
14	-x+3/5,-y+1/5,-z,+1	{ -1 \| 3/5 1/5 0 }
15	x-y+3/5,-y+1/5,-z,-1	{ 2'₁₀₀ \| 3/5 1/5 0 }
16	-x+y+3/5,y+1/5,z,-1	{ m'₁₀₀ \| 3/5 1/5 0 }
(4/5,3/5,0) + set click here to show and hide
17	x+4/5,y+3/5,z,+1	{ 1 \| 4/5 3/5 0 }
18	-x+4/5,-y+3/5,-z,+1	{ -1 \| 4/5 3/5 0 }
19	x-y+4/5,-y+3/5,-z,-1	{ 2'₁₀₀ \| 4/5 3/5 0 }
20	-x+y+4/5,y+3/5,z,-1	{ m'₁₀₀ \| 4/5 3/5 0 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
3	x-y,-y,-z,-1	2'₁₀₀
4	-x+y,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	y	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1_1	Fe	0.00000	5	m_x,2m_x,m_z	-1.	1.00
Fe1_2	Fe	0.20000	10	m_x,2m_x,m_z	1.	1.00
Fe1_3	Fe	0.40000	10	m_x,2m_x,m_z	1.	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
I1_1	I	0.06667	0.13333	0.25000	10
I1_2	I	0.13333	0.06667	0.75000	20
I1_3	I	0.06667	0.53333	0.25000	20

[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 Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-1.00000
(1/5,2/5,0) + set click here to show and hide
2	0.20000	0.40000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-1.00000
(2/5,4/5,0) + set click here to show and hide
3	0.40000	0.80000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-1.00000
(3/5,1/5,0) + set click here to show and hide
4	0.60000	0.20000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-1.00000
(4/5,3/5,0) + set click here to show and hide
5	0.80000	0.60000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-1.00000

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	0.00000	0.20000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
2	0.00000	0.80000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(1/5,2/5,0) + set click here to show and hide
3	0.20000	0.60000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
4	0.20000	0.20000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(2/5,4/5,0) + set click here to show and hide
5	0.40000	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
6	0.40000	0.60000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(3/5,1/5,0) + set click here to show and hide
7	0.60000	0.40000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
8	0.60000	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(4/5,3/5,0) + set click here to show and hide
9	0.80000	0.80000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
10	0.80000	0.40000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.40000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
2	0.00000	0.60000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(1/5,2/5,0) + set click here to show and hide
3	0.20000	0.80000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
4	0.20000	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(2/5,4/5,0) + set click here to show and hide
5	0.40000	0.20000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
6	0.40000	0.40000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(3/5,1/5,0) + set click here to show and hide
7	0.60000	0.60000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
8	0.60000	0.80000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(4/5,3/5,0) + set click here to show and hide
9	0.80000	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
10	0.80000	0.20000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom I1_1:

Atom	x	y	z
1	0.06667	0.13333	0.25000
2	0.93333	0.86667	0.75000
(1/5,2/5,0) + set click here to show and hide
3	0.26667	0.53333	0.25000
4	0.13333	0.26667	0.75000
(2/5,4/5,0) + set click here to show and hide
5	0.46667	0.93333	0.25000
6	0.33333	0.66667	0.75000
(3/5,1/5,0) + set click here to show and hide
7	0.66667	0.33333	0.25000
8	0.53333	0.06667	0.75000
(4/5,3/5,0) + set click here to show and hide
9	0.86667	0.73333	0.25000
10	0.73333	0.46667	0.75000

Set of atoms in the unit cell related by symmetry with the atom I1_2:

Atom	x	y	z
1	0.13333	0.06667	0.75000
2	0.86667	0.93333	0.25000
3	0.06666	0.93333	0.25000
4	0.93334	0.06667	0.75000
(1/5,2/5,0) + set click here to show and hide
5	0.33333	0.46667	0.75000
6	0.06667	0.33333	0.25000
7	0.26666	0.33333	0.25000
8	0.13334	0.46667	0.75000
(2/5,4/5,0) + set click here to show and hide
9	0.53333	0.86667	0.75000
10	0.26667	0.73333	0.25000
11	0.46666	0.73333	0.25000
12	0.33334	0.86667	0.75000
(3/5,1/5,0) + set click here to show and hide
13	0.73333	0.26667	0.75000
14	0.46667	0.13333	0.25000
15	0.66666	0.13333	0.25000
16	0.53334	0.26667	0.75000
(4/5,3/5,0) + set click here to show and hide
17	0.93333	0.66667	0.75000
18	0.66667	0.53333	0.25000
19	0.86666	0.53333	0.25000
20	0.73334	0.66667	0.75000

Set of atoms in the unit cell related by symmetry with the atom I1_3:

Atom	x	y	z
1	0.06667	0.53333	0.25000
2	0.93333	0.46667	0.75000
3	0.53334	0.46667	0.75000
4	0.46666	0.53333	0.25000
(1/5,2/5,0) + set click here to show and hide
5	0.26667	0.93333	0.25000
6	0.13333	0.86667	0.75000
7	0.73334	0.86667	0.75000
8	0.66666	0.93333	0.25000
(2/5,4/5,0) + set click here to show and hide
9	0.46667	0.33333	0.25000
10	0.33333	0.26667	0.75000
11	0.93334	0.26667	0.75000
12	0.86666	0.33333	0.25000
(3/5,1/5,0) + set click here to show and hide
13	0.66667	0.73333	0.25000
14	0.53333	0.66667	0.75000
15	0.13334	0.66667	0.75000
16	0.06666	0.73333	0.25000
(4/5,3/5,0) + set click here to show and hide
17	0.86667	0.13333	0.25000
18	0.73333	0.06667	0.75000
19	0.33334	0.06667	0.75000
20	0.26666	0.13333	0.25000

[Hide]

Label	Atom type	y	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1_1	Fe	0.00000	5	m_x,2m_x,m_z	-1.	1.00
Fe1_2	Fe	0.20000	10	m_x,2m_x,m_z	1.	1.00
Fe1_3	Fe	0.40000	10	m_x,2m_x,m_z	1.	1.00

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

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

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	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-1.00000
(1/5,2/5,0) + set click here to show and hide
2	0.20000	0.40000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-1.00000
(2/5,4/5,0) + set click here to show and hide
3	0.40000	0.80000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-1.00000
(3/5,1/5,0) + set click here to show and hide
4	0.60000	0.20000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-1.00000
(4/5,3/5,0) + set click here to show and hide
5	0.80000	0.60000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-1.00000

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	0.00000	0.20000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
2	0.00000	0.80000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(1/5,2/5,0) + set click here to show and hide
3	0.20000	0.60000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
4	0.20000	0.20000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(2/5,4/5,0) + set click here to show and hide
5	0.40000	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
6	0.40000	0.60000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(3/5,1/5,0) + set click here to show and hide
7	0.60000	0.40000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
8	0.60000	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(4/5,3/5,0) + set click here to show and hide
9	0.80000	0.80000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
10	0.80000	0.40000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.40000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
2	0.00000	0.60000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(1/5,2/5,0) + set click here to show and hide
3	0.20000	0.80000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
4	0.20000	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(2/5,4/5,0) + set click here to show and hide
5	0.40000	0.20000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
6	0.40000	0.40000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(3/5,1/5,0) + set click here to show and hide
7	0.60000	0.60000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
8	0.60000	0.80000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
(4/5,3/5,0) + set click here to show and hide
9	0.80000	0.00000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000
10	0.80000	0.20000	0.00000	m_x,2m_x,m_z	0.00000	0.00000	1.00000

[Hide]

label	dim. small irrep	dim. full irrep	action	number of modes	is present?
mLD2	1	6	primary	2	.
mLD2(3k)	1	6	secondary?	2	yes
mGM2+	1	1	secondary	1	yes
mGM3+	1	1	secondary	1	no

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

FeI₂ (#1.0.13)

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

FeI2 (#1.0.13)

FeI₂ (#1.0.13)