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

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1_1	Co	0.76486	0.12500	0.03886	8	m_x,m_y,m_z	0.0	-1.6(4)	-0.4(2)	1.65
Co1_2	Co	0.23514	-0.12500	-0.03886	8	m_x,m_y,m_z	0.0	-1.6(4)	0.4(2)	1.65

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cs1_1	Cs	0.35987	0.12500	0.05037	8
Cs1_2	Cs	0.64013	-0.12500	-0.05037	8
Cs2_1	Cs	0.02224	0.12500	-0.08818	8
Cs2_2	Cs	-0.02224	-0.12500	0.08818	8
Cl1_1	Cl	-0.00372	0.12500	0.04997	8
Cl1_2	Cl	0.00372	0.37500	0.450035	8
Cl2_1	Cl	0.68766	0.12500	0.4556	8
Cl2_2	Cl	0.31234	0.37500	0.04440	8
Cl31_1	Cl	0.67403	0.25089	0.07641	8
Cl31_2	Cl	0.32597	-0.25089	-0.07641	8
Cl32_1	Cl	0.82597	0.24911	0.326415	8
Cl32_2	Cl	0.17403	0.25089	0.173585	8

[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 Co1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.76486	0.12500	0.03886	m_x,m_y,m_z	0.00000	-1.60000	-0.40000
2	0.26486	0.62500	0.71114	m_x,-m_y,-m_z	0.00000	1.60000	0.40000
(0,1/2,1/2) + set click here to show and hide
3	0.76486	0.62500	0.53886	m_x,m_y,m_z	0.00000	-1.60000	-0.40000
4	0.26486	0.12500	0.21114	m_x,-m_y,-m_z	0.00000	1.60000	0.40000
(0,1/2,0)' + set click here to show and hide
5	0.76486	0.62500	0.03886	-m_x,-m_y,-m_z	0.00000	1.60000	0.40000
6	0.26486	0.12500	0.71114	-m_x,m_y,m_z	0.00000	-1.60000	-0.40000
(0,0,1/2)' + set click here to show and hide
7	0.76486	0.12500	0.53886	-m_x,-m_y,-m_z	0.00000	1.60000	0.40000
8	0.26486	0.62500	0.21114	-m_x,m_y,m_z	0.00000	-1.60000	-0.40000

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	0.23514	0.87500	0.96114	m_x,m_y,m_z	0.00000	-1.60000	0.40000
2	0.73514	0.87500	0.78886	m_x,-m_y,-m_z	0.00000	1.60000	-0.40000
(0,1/2,1/2) + set click here to show and hide
3	0.23514	0.37500	0.46114	m_x,m_y,m_z	0.00000	-1.60000	0.40000
4	0.73514	0.37500	0.28886	m_x,-m_y,-m_z	0.00000	1.60000	-0.40000
(0,1/2,0)' + set click here to show and hide
5	0.23514	0.37500	0.96114	-m_x,-m_y,-m_z	0.00000	1.60000	-0.40000
6	0.73514	0.37500	0.78886	-m_x,m_y,m_z	0.00000	-1.60000	0.40000
(0,0,1/2)' + set click here to show and hide
7	0.23514	0.87500	0.46114	-m_x,-m_y,-m_z	0.00000	1.60000	-0.40000
8	0.73514	0.87500	0.28886	-m_x,m_y,m_z	0.00000	-1.60000	0.40000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.35987	0.12500	0.05037
2	0.85987	0.62500	0.69963
(0,1/2,1/2) + set click here to show and hide
3	0.35987	0.62500	0.55037
4	0.85987	0.12500	0.19963
(0,1/2,0)' + set click here to show and hide
5	0.35987	0.62500	0.05037
6	0.85987	0.12500	0.69963
(0,0,1/2)' + set click here to show and hide
7	0.35987	0.12500	0.55037
8	0.85987	0.62500	0.19963

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

Atom	x	y	z
1	0.64013	0.87500	0.94963
2	0.14013	0.87500	0.80037
(0,1/2,1/2) + set click here to show and hide
3	0.64013	0.37500	0.44963
4	0.14013	0.37500	0.30037
(0,1/2,0)' + set click here to show and hide
5	0.64013	0.37500	0.94963
6	0.14013	0.37500	0.80037
(0,0,1/2)' + set click here to show and hide
7	0.64013	0.87500	0.44963
8	0.14013	0.87500	0.30037

Set of atoms in the unit cell related by symmetry with the atom Cs2_1:

Atom	x	y	z
1	0.02224	0.12500	0.91182
2	0.52224	0.62500	0.83818
(0,1/2,1/2) + set click here to show and hide
3	0.02224	0.62500	0.41182
4	0.52224	0.12500	0.33818
(0,1/2,0)' + set click here to show and hide
5	0.02224	0.62500	0.91182
6	0.52224	0.12500	0.83818
(0,0,1/2)' + set click here to show and hide
7	0.02224	0.12500	0.41182
8	0.52224	0.62500	0.33818

Set of atoms in the unit cell related by symmetry with the atom Cs2_2:

Atom	x	y	z
1	0.97776	0.87500	0.08818
2	0.47776	0.87500	0.66182
(0,1/2,1/2) + set click here to show and hide
3	0.97776	0.37500	0.58818
4	0.47776	0.37500	0.16182
(0,1/2,0)' + set click here to show and hide
5	0.97776	0.37500	0.08818
6	0.47776	0.37500	0.66182
(0,0,1/2)' + set click here to show and hide
7	0.97776	0.87500	0.58818
8	0.47776	0.87500	0.16182

Set of atoms in the unit cell related by symmetry with the atom Cl1_1:

Atom	x	y	z
1	0.99628	0.12500	0.04997
2	0.49628	0.62500	0.70003
(0,1/2,1/2) + set click here to show and hide
3	0.99628	0.62500	0.54997
4	0.49628	0.12500	0.20003
(0,1/2,0)' + set click here to show and hide
5	0.99628	0.62500	0.04997
6	0.49628	0.12500	0.70003
(0,0,1/2)' + set click here to show and hide
7	0.99628	0.12500	0.54997
8	0.49628	0.62500	0.20003

Set of atoms in the unit cell related by symmetry with the atom Cl1_2:

Atom	x	y	z
1	0.00372	0.37500	0.45004
2	0.50372	0.37500	0.29996
(0,1/2,1/2) + set click here to show and hide
3	0.00372	0.87500	0.95003
4	0.50372	0.87500	0.79997
(0,1/2,0)' + set click here to show and hide
5	0.00372	0.87500	0.45004
6	0.50372	0.87500	0.29996
(0,0,1/2)' + set click here to show and hide
7	0.00372	0.37500	0.95003
8	0.50372	0.37500	0.79997

Set of atoms in the unit cell related by symmetry with the atom Cl2_1:

Atom	x	y	z
1	0.68766	0.12500	0.45560
2	0.18766	0.62500	0.29440
(0,1/2,1/2) + set click here to show and hide
3	0.68766	0.62500	0.95560
4	0.18766	0.12500	0.79440
(0,1/2,0)' + set click here to show and hide
5	0.68766	0.62500	0.45560
6	0.18766	0.12500	0.29440
(0,0,1/2)' + set click here to show and hide
7	0.68766	0.12500	0.95560
8	0.18766	0.62500	0.79440

Set of atoms in the unit cell related by symmetry with the atom Cl2_2:

Atom	x	y	z
1	0.31234	0.37500	0.04440
2	0.81234	0.37500	0.70560
(0,1/2,1/2) + set click here to show and hide
3	0.31234	0.87500	0.54440
4	0.81234	0.87500	0.20560
(0,1/2,0)' + set click here to show and hide
5	0.31234	0.87500	0.04440
6	0.81234	0.87500	0.70560
(0,0,1/2)' + set click here to show and hide
7	0.31234	0.37500	0.54440
8	0.81234	0.37500	0.20560

Set of atoms in the unit cell related by symmetry with the atom Cl31_1:

Atom	x	y	z
1	0.67403	0.25089	0.07641
2	0.17403	0.49911	0.67359
(0,1/2,1/2) + set click here to show and hide
3	0.67403	0.75089	0.57641
4	0.17403	0.99911	0.17359
(0,1/2,0)' + set click here to show and hide
5	0.67403	0.75089	0.07641
6	0.17403	0.99911	0.67359
(0,0,1/2)' + set click here to show and hide
7	0.67403	0.25089	0.57641
8	0.17403	0.49911	0.17359

Set of atoms in the unit cell related by symmetry with the atom Cl31_2:

Atom	x	y	z
1	0.32597	0.74911	0.92359
2	0.82597	0.00089	0.82641
(0,1/2,1/2) + set click here to show and hide
3	0.32597	0.24911	0.42359
4	0.82597	0.50089	0.32641
(0,1/2,0)' + set click here to show and hide
5	0.32597	0.24911	0.92359
6	0.82597	0.50089	0.82641
(0,0,1/2)' + set click here to show and hide
7	0.32597	0.74911	0.42359
8	0.82597	0.00089	0.32641

Set of atoms in the unit cell related by symmetry with the atom Cl32_1:

Atom	x	y	z
1	0.82597	0.24911	0.32642
2	0.32597	0.50089	0.42358
(0,1/2,1/2) + set click here to show and hide
3	0.82597	0.74911	0.82642
4	0.32597	0.00089	0.92358
(0,1/2,0)' + set click here to show and hide
5	0.82597	0.74911	0.32642
6	0.32597	0.00089	0.42358
(0,0,1/2)' + set click here to show and hide
7	0.82597	0.24911	0.82642
8	0.32597	0.50089	0.92358

Set of atoms in the unit cell related by symmetry with the atom Cl32_2:

Atom	x	y	z
1	0.17403	0.25089	0.17358
2	0.67403	0.49911	0.57642
(0,1/2,1/2) + set click here to show and hide
3	0.17403	0.75089	0.67358
4	0.67403	0.99911	0.07641
(0,1/2,0)' + set click here to show and hide
5	0.17403	0.75089	0.17358
6	0.67403	0.99911	0.57642
(0,0,1/2)' + set click here to show and hide
7	0.17403	0.25089	0.67358
8	0.67403	0.49911	0.07641

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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	0.76486	0.12500	0.03886	8	m_x,m_y,m_z	0.0	-1.6(4)	-0.4(2)	1.65
Co1_2	Co	0.23514	-0.12500	-0.03886	8	m_x,m_y,m_z	0.0	-1.6(4)	0.4(2)	1.65

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

label	dim. full irrep	dim. small irrep	direction	action
mT1	2	2	general	primary

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

Cs₂CoCl₄ (#1.51)

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

Cs2CoCl4 (#1.51)

Cs₂CoCl₄ (#1.51)