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,-y,z+1/2,+1	{ m₁₂₀ \| 0 0 1/2 }
3	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
4	-x+y,y,z,-1	{ m'₁₀₀ \| 0 }
(1/3,2/3,0) + set click here to show and hide
5	x+1/3,y+2/3,z,+1	{ 1 \| 1/3 2/3 0 }
6	x-y+1/3,-y+2/3,z+1/2,+1	{ m₁₂₀ \| 1/3 2/3 1/2 }
7	-x+1/3,-y+2/3,z+1/2,-1	{ 2'₀₀₁ \| 1/3 2/3 1/2 }
8	-x+y+1/3,y+2/3,z,-1	{ m'₁₀₀ \| 1/3 2/3 0 }
(2/3,1/3,0) + set click here to show and hide
9	x+2/3,y+1/3,z,+1	{ 1 \| 2/3 1/3 0 }
10	x-y+2/3,-y+1/3,z+1/2,+1	{ m₁₂₀ \| 2/3 1/3 1/2 }
11	-x+2/3,-y+1/3,z+1/2,-1	{ 2'₀₀₁ \| 2/3 1/3 1/2 }
12	-x+y+2/3,y+1/3,z,-1	{ m'₁₀₀ \| 2/3 1/3 0 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1_1	Co	0.00000	0.00000	0.00000	6	m_x,2m_x,m_z	0.0	0.0	-3.02	3.02
Co1_2	Co	0.00000	0.33333	0.00000	12	m_x,m_y,m_z	0.51	0.0	2.98	3.02

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Br1_1	Br	0.05357	0.10713	0.25000	6
Br1_2	Br	0.89287	0.94643	0.25000	12
Br1_3	Br	0.05357	0.44047	0.25000	12
Br1_4	Br	0.89287	0.27977	0.25000	12
Br1_5	Br	0.05357	0.27977	0.25000	12
Cs1_1	Cs	0.11111	0.22222	0.75000	6
Cs1_2	Cs	0.22222	0.11111	0.25000	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 Co1_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	-3.02000
2	0.00000	0.00000	0.50000	m_x,2m_x,-m_z	0.00000	0.00000	3.02000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.66667	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-3.02000
4	0.33333	0.66667	0.50000	m_x,2m_x,-m_z	0.00000	0.00000	3.02000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.33333	0.00000	m_x,2m_x,m_z	0.00000	0.00000	-3.02000
6	0.66667	0.33333	0.50000	m_x,2m_x,-m_z	0.00000	0.00000	3.02000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33333	0.00000	m_x,m_y,m_z	0.51000	0.00000	2.98000
2	0.66667	0.66667	0.50000	-m_x+m_y,m_y,-m_z	-0.51000	0.00000	-2.98000
3	0.00000	0.66667	0.50000	m_x,m_y,-m_z	0.51000	0.00000	-2.98000
4	0.33333	0.33333	0.00000	-m_x+m_y,m_y,m_z	-0.51000	0.00000	2.98000
(1/3,2/3,0) + set click here to show and hide
5	0.33333	0.00000	0.00000	m_x,m_y,m_z	0.51000	0.00000	2.98000
6	0.00000	0.33334	0.50000	-m_x+m_y,m_y,-m_z	-0.51000	0.00000	-2.98000
7	0.33333	0.33334	0.50000	m_x,m_y,-m_z	0.51000	0.00000	-2.98000
8	0.66666	0.00000	0.00000	-m_x+m_y,m_y,m_z	-0.51000	0.00000	2.98000
(2/3,1/3,0) + set click here to show and hide
9	0.66667	0.66666	0.00000	m_x,m_y,m_z	0.51000	0.00000	2.98000
10	0.33334	0.00000	0.50000	-m_x+m_y,m_y,-m_z	-0.51000	0.00000	-2.98000
11	0.66667	0.00000	0.50000	m_x,m_y,-m_z	0.51000	0.00000	-2.98000
12	0.00000	0.66666	0.00000	-m_x+m_y,m_y,m_z	-0.51000	0.00000	2.98000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Br1_1:

Atom	x	y	z
1	0.05357	0.10713	0.25000
2	0.94644	0.89287	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.38690	0.77380	0.25000
4	0.27977	0.55954	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.72024	0.44046	0.25000
6	0.61311	0.22620	0.75000

Set of atoms in the unit cell related by symmetry with the atom Br1_2:

Atom	x	y	z
1	0.89287	0.94643	0.25000
2	0.94644	0.05357	0.75000
3	0.10713	0.05357	0.75000
4	0.05356	0.94643	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.22620	0.61310	0.25000
6	0.27977	0.72024	0.75000
7	0.44046	0.72024	0.75000
8	0.38689	0.61310	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.55954	0.27976	0.25000
10	0.61311	0.38690	0.75000
11	0.77380	0.38690	0.75000
12	0.72023	0.27976	0.25000

Set of atoms in the unit cell related by symmetry with the atom Br1_3:

Atom	x	y	z
1	0.05357	0.44047	0.25000
2	0.61310	0.55953	0.75000
3	0.94643	0.55953	0.75000
4	0.38690	0.44047	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.38690	0.10714	0.25000
6	0.94643	0.22620	0.75000
7	0.27976	0.22620	0.75000
8	0.72023	0.10714	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.72024	0.77380	0.25000
10	0.27977	0.89286	0.75000
11	0.61310	0.89286	0.75000
12	0.05357	0.77380	0.25000

Set of atoms in the unit cell related by symmetry with the atom Br1_4:

Atom	x	y	z
1	0.89287	0.27977	0.25000
2	0.61310	0.72023	0.75000
3	0.10713	0.72023	0.75000
4	0.38690	0.27977	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.22620	0.94644	0.25000
6	0.94643	0.38690	0.75000
7	0.44046	0.38690	0.75000
8	0.72023	0.94644	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.55954	0.61310	0.25000
10	0.27977	0.05356	0.75000
11	0.77380	0.05356	0.75000
12	0.05357	0.61310	0.25000

Set of atoms in the unit cell related by symmetry with the atom Br1_5:

Atom	x	y	z
1	0.05357	0.27977	0.25000
2	0.77380	0.72023	0.75000
3	0.94643	0.72023	0.75000
4	0.22620	0.27977	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.38690	0.94644	0.25000
6	0.10713	0.38690	0.75000
7	0.27976	0.38690	0.75000
8	0.55953	0.94644	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.72024	0.61310	0.25000
10	0.44047	0.05356	0.75000
11	0.61310	0.05356	0.75000
12	0.89287	0.61310	0.25000

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

Atom	x	y	z
1	0.11111	0.22222	0.75000
2	0.88889	0.77778	0.25000
(1/3,2/3,0) + set click here to show and hide
3	0.44444	0.88889	0.75000
4	0.22222	0.44445	0.25000
(2/3,1/3,0) + set click here to show and hide
5	0.77778	0.55555	0.75000
6	0.55556	0.11111	0.25000

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

Atom	x	y	z
1	0.22222	0.11111	0.25000
2	0.11111	0.88889	0.75000
3	0.77778	0.88889	0.75000
4	0.88889	0.11111	0.25000
(1/3,2/3,0) + set click here to show and hide
5	0.55555	0.77778	0.25000
6	0.44444	0.55556	0.75000
7	0.11111	0.55556	0.75000
8	0.22222	0.77778	0.25000
(2/3,1/3,0) + set click here to show and hide
9	0.88889	0.44444	0.25000
10	0.77778	0.22222	0.75000
11	0.44445	0.22222	0.75000
12	0.55556	0.44444	0.25000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1_1	Co	0.00000	0.00000	0.00000	6	m_x,2m_x,m_z	0.0	0.0	-3.02	3.02
Co1_2	Co	0.00000	0.33333	0.00000	12	m_x,m_y,m_z	0.51	0.0	2.98	3.02

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