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,-2x+y,-z,+1	{ 2₀₁₀ \| 0 }
3	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
4	-x,-2x+y,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
(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+1/2,-2x+y,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
7	x+1/2,y,-z,+1	{ m₀₀₁ \| 1/2 0 0 }
8	-x+1/2,-2x+y,z,+1	{ m₁₁₀ \| 1/2 0 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,-2x+y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
11	x,y,-z,-1	{ m'₀₀₁ \| 0 }
12	-x,-2x+y,z,-1	{ m'₁₁₀ \| 0 }
(1/2,0,0)' + set click here to show and hide
13	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
14	-x+1/2,-2x+y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }
15	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
16	-x+1/2,-2x+y,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-2x+y,-z,+1	2₀₁₀
3	x,y,-z,+1	m₀₀₁
4	-x,-2x+y,z,+1	m₁₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,-2x+y,-z,-1	2'₀₁₀
7	x,y,-z,-1	m'₀₀₁
8	-x,-2x+y,z,-1	m'₁₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1_1	Cr	0.11215	0.00000	0.00000	8	m_x,m_y,0	1.5	0.0	0.0	1.50
Cr1_2	Cr	0.00000	0.22430	0.00000	4	0,m_y,0	0.0	1.5	0.0	1.50

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cs1_1	Cs	0.28640	0.00000	0.25000	8
Cs1_2	Cs	0.00000	0.57280	0.25000	4
F1_1	F	0.41570	0.00000	0.00000	8
F1_2	F	0.00000	0.83140	0.00000	4
F2_1	F	0.10995	0.00000	0.25000	8
F2_2	F	0.00000	0.21990	0.25000	4
F3_1	F	0.08060	0.43890	0.00000	8
F3_2	F	0.78055	0.72230	0.00000	8
F3_3	F	0.13885	0.83880	0.00000	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 Cr1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.11215	0.00000	0.00000	m_x,m_y,0	1.50000	0.00000	0.00000
2	0.88785	0.77570	0.00000	-m_x,-m_x+m_y,0	-1.50000	-1.50000	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.61215	0.00000	0.50000	m_x,m_y,0	1.50000	0.00000	0.00000
4	0.38785	0.77570	0.50000	-m_x,-m_x+m_y,0	-1.50000	-1.50000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.11215	0.00000	0.50000	-m_x,-m_y,0	-1.50000	0.00000	0.00000
6	0.88785	0.77570	0.50000	m_x,m_x-m_y,0	1.50000	1.50000	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.61215	0.00000	0.00000	-m_x,-m_y,0	-1.50000	0.00000	0.00000
8	0.38785	0.77570	0.00000	m_x,m_x-m_y,0	1.50000	1.50000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.22430	0.00000	0,m_y,0	0.00000	1.50000	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.22430	0.50000	0,m_y,0	0.00000	1.50000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.22430	0.50000	0,-m_y,0	0.00000	-1.50000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.22430	0.00000	0,-m_y,0	0.00000	-1.50000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cs1_1:

Atom	x	y	z
1	0.28640	0.00000	0.25000
2	0.71360	0.42720	0.75000
(1/2,0,1/2) + set click here to show and hide
3	0.78640	0.00000	0.75000
4	0.21360	0.42720	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.28640	0.00000	0.75000
6	0.71360	0.42720	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.78640	0.00000	0.25000
8	0.21360	0.42720	0.75000

Set of atoms in the unit cell related by symmetry with the atom Cs1_2:

Atom	x	y	z
1	0.00000	0.57280	0.25000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.57280	0.75000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.57280	0.75000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.57280	0.25000

Set of atoms in the unit cell related by symmetry with the atom F1_1:

Atom	x	y	z
1	0.41570	0.00000	0.00000
2	0.58430	0.16860	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.91570	0.00000	0.50000
4	0.08430	0.16860	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.41570	0.00000	0.50000
6	0.58430	0.16860	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.91570	0.00000	0.00000
8	0.08430	0.16860	0.00000

Set of atoms in the unit cell related by symmetry with the atom F1_2:

Atom	x	y	z
1	0.00000	0.83140	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.83140	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.83140	0.50000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.83140	0.00000

Set of atoms in the unit cell related by symmetry with the atom F2_1:

Atom	x	y	z
1	0.10995	0.00000	0.25000
2	0.89005	0.78010	0.75000
(1/2,0,1/2) + set click here to show and hide
3	0.60995	0.00000	0.75000
4	0.39005	0.78010	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.10995	0.00000	0.75000
6	0.89005	0.78010	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.60995	0.00000	0.25000
8	0.39005	0.78010	0.75000

Set of atoms in the unit cell related by symmetry with the atom F2_2:

Atom	x	y	z
1	0.00000	0.21990	0.25000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.21990	0.75000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.21990	0.75000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.21990	0.25000

Set of atoms in the unit cell related by symmetry with the atom F3_1:

Atom	x	y	z
1	0.08060	0.43890	0.00000
2	0.91940	0.27770	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.58060	0.43890	0.50000
4	0.41940	0.27770	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.08060	0.43890	0.50000
6	0.91940	0.27770	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.58060	0.43890	0.00000
8	0.41940	0.27770	0.00000

Set of atoms in the unit cell related by symmetry with the atom F3_2:

Atom	x	y	z
1	0.78055	0.72230	0.00000
2	0.21945	0.16120	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.28055	0.72230	0.50000
4	0.71945	0.16120	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.78055	0.72230	0.50000
6	0.21945	0.16120	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.28055	0.72230	0.00000
8	0.71945	0.16120	0.00000

Set of atoms in the unit cell related by symmetry with the atom F3_3:

Atom	x	y	z
1	0.13885	0.83880	0.00000
2	0.86115	0.56110	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.63885	0.83880	0.50000
4	0.36115	0.56110	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.13885	0.83880	0.50000
6	0.86115	0.56110	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.63885	0.83880	0.00000
8	0.36115	0.56110	0.00000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1_1	Cr	0.11215	0.00000	0.00000	8	m_x,m_y,0	1.5	0.0	0.0	1.50
Cr1_2	Cr	0.00000	0.22430	0.00000	4	0,m_y,0	0.0	1.5	0.0	1.50

label	dim. small irrep	dim. full irrep	action	number of modes
mL2	1	3	primary	3

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