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	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
4	x-y,-y,-z,+1	{ 2₁₀₀ \| 0 }
5	y,x,-z,+1	{ 2₁₁₀ \| 0 }
6	-x,-x+y,-z,+1	{ 2₀₁₀ \| 0 }
7	-x+y,-x,-z+1/2,+1	{ -6⁺₀₀₁ \| 0 0 1/2 }
8	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
9	-y,x-y,-z+1/2,+1	{ -6^-₀₀₁ \| 0 0 1/2 }
10	-x,-x+y,z+1/2,+1	{ m₂₁₀ \| 0 0 1/2 }
11	x-y,-y,z+1/2,+1	{ m₁₂₀ \| 0 0 1/2 }
12	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	-y,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 1/2 }
15	-x+y,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 0 0 1/2 }
16	x-y,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
17	y,x,-z+1/2,-1	{ 2'₁₁₀ \| 0 0 1/2 }
18	-x,-x+y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
19	-x+y,-x,-z,-1	{ -6'⁺₀₀₁ \| 0 }
20	x,y,-z,-1	{ m'₀₀₁ \| 0 }
21	-y,x-y,-z,-1	{ -6'^-₀₀₁ \| 0 }
22	-x,-x+y,z,-1	{ m'₂₁₀ \| 0 }
23	x-y,-y,z,-1	{ m'₁₂₀ \| 0 }
24	y,x,z,-1	{ m'_1-10 \| 0 }

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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	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	x-y,-y,-z,+1	2₁₀₀
5	y,x,-z,+1	2₁₁₀
6	-x,-x+y,-z,+1	2₀₁₀
7	-x+y,-x,-z,+1	-6⁺₀₀₁
8	x,y,-z,+1	m₀₀₁
9	-y,x-y,-z,+1	-6^-₀₀₁
10	-x,-x+y,z,+1	m₂₁₀
11	x-y,-y,z,+1	m₁₂₀
12	y,x,z,+1	m_1-10
1' + set click here to show and hide
13	x,y,z,-1	1'
14	-y,x-y,z,-1	3'⁺₀₀₁
15	-x+y,-x,z,-1	3'^-₀₀₁
16	x-y,-y,-z,-1	2'₁₀₀
17	y,x,-z,-1	2'₁₁₀
18	-x,-x+y,-z,-1	2'₀₁₀
19	-x+y,-x,-z,-1	-6'⁺₀₀₁
20	x,y,-z,-1	m'₀₀₁
21	-y,x-y,-z,-1	-6'^-₀₀₁
22	-x,-x+y,z,-1	m'₂₁₀
23	x-y,-y,z,-1	m'₁₂₀
24	y,x,z,-1	m'_1-10

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.22456	0.00000	0.00000	0.94	6	m_x,0,0	1.66(1)	0.0	0.0	1.66
Fe1	Fe	0.22456	0.00000	0.00000	0.06	6	m_x,0,0	1.66(1)	0.0	0.0	1.66

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Cs1	Cs	0.57202	0.00000	0.25000	1.	6
F1	F	0.83226	0.00000	0.00000	1.	6
F2	F	0.22024	0.00000	0.25000	1.	6
F3	F	0.43914	0.16142	0.00000	1.	12

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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.22456	0.00000	0.00000	m_x,0,0	1.66000	0.00000	0.00000
2	0.00000	0.22456	0.00000	0,m_x,0	0.00000	1.66000	0.00000
3	0.77544	0.77544	0.00000	-m_x,-m_x,0	-1.66000	-1.66000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.22456	0.00000	0.50000	-m_x,0,0	-1.66000	0.00000	0.00000
5	0.00000	0.22456	0.50000	0,-m_x,0	0.00000	-1.66000	0.00000
6	0.77544	0.77544	0.50000	m_x,m_x,0	1.66000	1.66000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.22456	0.00000	0.00000	m_x,0,0	1.66000	0.00000	0.00000
2	0.00000	0.22456	0.00000	0,m_x,0	0.00000	1.66000	0.00000
3	0.77544	0.77544	0.00000	-m_x,-m_x,0	-1.66000	-1.66000	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.22456	0.00000	0.50000	-m_x,0,0	-1.66000	0.00000	0.00000
5	0.00000	0.22456	0.50000	0,-m_x,0	0.00000	-1.66000	0.00000
6	0.77544	0.77544	0.50000	m_x,m_x,0	1.66000	1.66000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Cs1:

Atom	x	y	z
1	0.57202	0.00000	0.25000
2	0.00000	0.57202	0.25000
3	0.42798	0.42798	0.25000
(0,0,1/2)' + set click here to show and hide
4	0.57202	0.00000	0.75000
5	0.00000	0.57202	0.75000
6	0.42798	0.42798	0.75000

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.83226	0.00000	0.00000
2	0.00000	0.83226	0.00000
3	0.16774	0.16774	0.00000
(0,0,1/2)' + set click here to show and hide
4	0.83226	0.00000	0.50000
5	0.00000	0.83226	0.50000
6	0.16774	0.16774	0.50000

Set of atoms in the unit cell related by symmetry with the atom F2:

Atom	x	y	z
1	0.22024	0.00000	0.25000
2	0.00000	0.22024	0.25000
3	0.77976	0.77976	0.25000
(0,0,1/2)' + set click here to show and hide
4	0.22024	0.00000	0.75000
5	0.00000	0.22024	0.75000
6	0.77976	0.77976	0.75000

Set of atoms in the unit cell related by symmetry with the atom F3:

Atom	x	y	z
1	0.43914	0.16142	0.00000
2	0.83858	0.27772	0.00000
3	0.72228	0.56086	0.00000
4	0.27772	0.83858	0.00000
5	0.16142	0.43914	0.00000
6	0.56086	0.72228	0.00000
(0,0,1/2)' + set click here to show and hide
7	0.43914	0.16142	0.50000
8	0.83858	0.27772	0.50000
9	0.72228	0.56086	0.50000
10	0.27772	0.83858	0.50000
11	0.16142	0.43914	0.50000
12	0.56086	0.72228	0.50000

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Cr1	Cr	0.22456	0.00000	0.00000	0.94	6	m_x,0,0	1.66(1)	0.0	0.0	1.66
Fe1	Fe	0.22456	0.00000	0.00000	0.06	6	m_x,0,0	1.66(1)	0.0	0.0	1.66

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

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