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+1/2,-y+1/4,-z+3/4,+1	{ 2₁₀₀ \| 1/2 1/4 3/4 }
3	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
4	-x+1/2,y+1/4,z+1/4,+1	{ m₁₀₀ \| 1/2 1/4 1/4 }
(0,1/2,1/2) + set click here to show and hide
5	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
6	x+1/2,-y+3/4,-z+1/4,+1	{ 2₁₀₀ \| 1/2 3/4 1/4 }
7	-x,-y+1/2,-z,+1	{ -1 \| 0 1/2 0 }
8	-x+1/2,y+3/4,z+3/4,+1	{ m₁₀₀ \| 1/2 3/4 3/4 }
(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+1/2,-y+1/4,-z+1/4,-1	{ 2'₁₀₀ \| 1/2 1/4 1/4 }
11	-x,-y,-z,-1	{ -1' \| 0 }
12	-x+1/2,y+1/4,z+3/4,-1	{ m'₁₀₀ \| 1/2 1/4 3/4 }
(0,1/2,0)' + set click here to show and hide
13	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
14	x+1/2,-y+3/4,-z+3/4,-1	{ 2'₁₀₀ \| 1/2 3/4 3/4 }
15	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
16	-x+1/2,y+3/4,z+1/4,-1	{ m'₁₀₀ \| 1/2 3/4 1/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.23557(10)	0.12500	0.538855(40)	16	m_x,m_y,m_z	0.0	-2.44(2)	0.0	2.44

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cs1	Cs	0.97758(6)	0.12500	0.414230(20)	16
Cs2	Cs	0.63771(7)	0.12500	0.051480(35)	16
Br1	Br	0.00197(9)	0.12500	0.049435(40)	16
Br2	Br	0.31283(10)	0.12500	0.455200(35)	16
Br3_1	Br	0.17424(7)	0.249115(45)	0.327065(35)	16
Br3_2	Br	0.32576(7)	0.750885(45)	0.077065(35)	16

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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.23557	0.12500	0.53886	m_x,m_y,m_z	0.00000	-2.44000	0.00000
2	0.73557	0.12500	0.21115	m_x,-m_y,-m_z	0.00000	2.44000	0.00000
3	0.76443	0.87500	0.96115	m_x,m_y,m_z	0.00000	-2.44000	0.00000
4	0.26443	0.37500	0.78886	m_x,-m_y,-m_z	0.00000	2.44000	0.00000
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5	0.23557	0.62500	0.03886	m_x,m_y,m_z	0.00000	-2.44000	0.00000
6	0.73557	0.62500	0.71115	m_x,-m_y,-m_z	0.00000	2.44000	0.00000
7	0.76443	0.37500	0.46115	m_x,m_y,m_z	0.00000	-2.44000	0.00000
8	0.26443	0.87500	0.28886	m_x,-m_y,-m_z	0.00000	2.44000	0.00000
(0,0,1/2)' + set click here to show and hide
9	0.23557	0.12500	0.03886	-m_x,-m_y,-m_z	0.00000	2.44000	0.00000
10	0.73557	0.12500	0.71115	-m_x,m_y,m_z	0.00000	-2.44000	0.00000
11	0.76443	0.87500	0.46115	-m_x,-m_y,-m_z	0.00000	2.44000	0.00000
12	0.26443	0.37500	0.28886	-m_x,m_y,m_z	0.00000	-2.44000	0.00000
(0,1/2,0)' + set click here to show and hide
13	0.23557	0.62500	0.53886	-m_x,-m_y,-m_z	0.00000	2.44000	0.00000
14	0.73557	0.62500	0.21115	-m_x,m_y,m_z	0.00000	-2.44000	0.00000
15	0.76443	0.37500	0.96115	-m_x,-m_y,-m_z	0.00000	2.44000	0.00000
16	0.26443	0.87500	0.78886	-m_x,m_y,m_z	0.00000	-2.44000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.97758	0.12500	0.41423
2	0.47758	0.12500	0.33577
3	0.02242	0.87500	0.08577
4	0.52242	0.37500	0.66423
(0,1/2,1/2) + set click here to show and hide
5	0.97758	0.62500	0.91423
6	0.47758	0.62500	0.83577
7	0.02242	0.37500	0.58577
8	0.52242	0.87500	0.16423
(0,0,1/2)' + set click here to show and hide
9	0.97758	0.12500	0.91423
10	0.47758	0.12500	0.83577
11	0.02242	0.87500	0.58577
12	0.52242	0.37500	0.16423
(0,1/2,0)' + set click here to show and hide
13	0.97758	0.62500	0.41423
14	0.47758	0.62500	0.33577
15	0.02242	0.37500	0.08577
16	0.52242	0.87500	0.66423

Set of atoms in the unit cell related by symmetry with the atom Cs2:

Atom	x	y	z
1	0.63771	0.12500	0.05148
2	0.13771	0.12500	0.69852
3	0.36229	0.87500	0.44852
4	0.86229	0.37500	0.30148
(0,1/2,1/2) + set click here to show and hide
5	0.63771	0.62500	0.55148
6	0.13771	0.62500	0.19852
7	0.36229	0.37500	0.94852
8	0.86229	0.87500	0.80148
(0,0,1/2)' + set click here to show and hide
9	0.63771	0.12500	0.55148
10	0.13771	0.12500	0.19852
11	0.36229	0.87500	0.94852
12	0.86229	0.37500	0.80148
(0,1/2,0)' + set click here to show and hide
13	0.63771	0.62500	0.05148
14	0.13771	0.62500	0.69852
15	0.36229	0.37500	0.44852
16	0.86229	0.87500	0.30148

Set of atoms in the unit cell related by symmetry with the atom Br1:

Atom	x	y	z
1	0.00197	0.12500	0.04943
2	0.50197	0.12500	0.70056
3	0.99803	0.87500	0.45056
4	0.49803	0.37500	0.29944
(0,1/2,1/2) + set click here to show and hide
5	0.00197	0.62500	0.54944
6	0.50197	0.62500	0.20057
7	0.99803	0.37500	0.95057
8	0.49803	0.87500	0.79944
(0,0,1/2)' + set click here to show and hide
9	0.00197	0.12500	0.54944
10	0.50197	0.12500	0.20057
11	0.99803	0.87500	0.95057
12	0.49803	0.37500	0.79944
(0,1/2,0)' + set click here to show and hide
13	0.00197	0.62500	0.04944
14	0.50197	0.62500	0.70057
15	0.99803	0.37500	0.45057
16	0.49803	0.87500	0.29944

Set of atoms in the unit cell related by symmetry with the atom Br2:

Atom	x	y	z
1	0.31283	0.12500	0.45520
2	0.81283	0.12500	0.29480
3	0.68717	0.87500	0.04480
4	0.18717	0.37500	0.70520
(0,1/2,1/2) + set click here to show and hide
5	0.31283	0.62500	0.95520
6	0.81283	0.62500	0.79480
7	0.68717	0.37500	0.54480
8	0.18717	0.87500	0.20520
(0,0,1/2)' + set click here to show and hide
9	0.31283	0.12500	0.95520
10	0.81283	0.12500	0.79480
11	0.68717	0.87500	0.54480
12	0.18717	0.37500	0.20520
(0,1/2,0)' + set click here to show and hide
13	0.31283	0.62500	0.45520
14	0.81283	0.62500	0.29480
15	0.68717	0.37500	0.04480
16	0.18717	0.87500	0.70520

Set of atoms in the unit cell related by symmetry with the atom Br3_1:

Atom	x	y	z
1	0.17424	0.24912	0.32706
2	0.67424	0.00088	0.42294
3	0.82576	0.75089	0.17294
4	0.32576	0.49911	0.57706
(0,1/2,1/2) + set click here to show and hide
5	0.17424	0.74912	0.82707
6	0.67424	0.50089	0.92294
7	0.82576	0.25089	0.67294
8	0.32576	0.99912	0.07707
(0,0,1/2)' + set click here to show and hide
9	0.17424	0.24912	0.82707
10	0.67424	0.00089	0.92294
11	0.82576	0.75089	0.67294
12	0.32576	0.49912	0.07707
(0,1/2,0)' + set click here to show and hide
13	0.17424	0.74912	0.32707
14	0.67424	0.50089	0.42294
15	0.82576	0.25089	0.17294
16	0.32576	0.99912	0.57707

Set of atoms in the unit cell related by symmetry with the atom Br3_2:

Atom	x	y	z
1	0.32576	0.75089	0.07706
2	0.82576	0.49911	0.67294
3	0.67424	0.24911	0.42294
4	0.17424	0.00089	0.32706
(0,1/2,1/2) + set click here to show and hide
5	0.32576	0.25089	0.57707
6	0.82576	0.99912	0.17294
7	0.67424	0.74912	0.92294
8	0.17424	0.50089	0.82707
(0,0,1/2)' + set click here to show and hide
9	0.32576	0.75089	0.57707
10	0.82576	0.49912	0.17294
11	0.67424	0.24912	0.92294
12	0.17424	0.00089	0.82707
(0,1/2,0)' + set click here to show and hide
13	0.32576	0.25089	0.07707
14	0.82576	0.99912	0.67294
15	0.67424	0.74912	0.42294
16	0.17424	0.50089	0.32707

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.23557(10)	0.12500	0.538855(40)	16	m_x,m_y,m_z	0.0	-2.44(2)	0.0	2.44

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mT2	2	2	special	primary	3

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