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+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
(1/2,1/2,0)' + set click here to show and hide
5	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
6	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
7	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
8	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.08330	0.24970	0.49970	0.8803	8	m_x,m_y,m_z	0.0	2.4(1)	0.0	2.40
Co2	Co	0.25000	0.25000	0.00000	0.2395	4	0,0,0	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sb1	Sb	0.08330	0.24970	0.49970	0.1189	8
Cu1	Cu	0.82330	0.08870	0.24970	1.	8
Cu2	Cu	0.00000	0.58770	0.25000	1.	4
O1	O	0.62440	0.59380	0.09120	1.	8
O2	O	0.72070	0.57020	0.41050	1.	8
O3	O	0.44220	0.08490	0.08790	1.	8
Sb2	Sb	0.25000	0.25000	0.00000	0.7608	4

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	0.08330	0.24970	0.49970	m_x,m_y,m_z	0.00000	2.40000	0.00000
2	0.41670	0.74970	0.00030	-m_x,m_y,-m_z	0.00000	2.40000	0.00000
3	0.91670	0.75030	0.50030	m_x,m_y,m_z	0.00000	2.40000	0.00000
4	0.58330	0.25030	0.99970	-m_x,m_y,-m_z	0.00000	2.40000	0.00000
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5	0.58330	0.74970	0.49970	-m_x,-m_y,-m_z	0.00000	-2.40000	0.00000
6	0.91670	0.24970	0.00030	m_x,-m_y,m_z	0.00000	-2.40000	0.00000
7	0.41670	0.25030	0.50030	-m_x,-m_y,-m_z	0.00000	-2.40000	0.00000
8	0.08330	0.75030	0.99970	m_x,-m_y,m_z	0.00000	-2.40000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.00000	0,0,0	0.00000	0.00000	0.00000
2	0.25000	0.75000	0.50000	0,0,0	0.00000	0.00000	0.00000
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3	0.75000	0.75000	0.00000	0,0,0	0.00000	0.00000	0.00000
4	0.75000	0.25000	0.50000	0,0,0	0.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sb1:

Atom	x	y	z
1	0.08330	0.24970	0.49970
2	0.41670	0.74970	0.00030
3	0.91670	0.75030	0.50030
4	0.58330	0.25030	0.99970
(1/2,1/2,0)' + set click here to show and hide
5	0.58330	0.74970	0.49970
6	0.91670	0.24970	0.00030
7	0.41670	0.25030	0.50030
8	0.08330	0.75030	0.99970

Set of atoms in the unit cell related by symmetry with the atom Cu1:

Atom	x	y	z
1	0.82330	0.08870	0.24970
2	0.67670	0.58870	0.25030
3	0.17670	0.91130	0.75030
4	0.32330	0.41130	0.74970
(1/2,1/2,0)' + set click here to show and hide
5	0.32330	0.58870	0.24970
6	0.17670	0.08870	0.25030
7	0.67670	0.41130	0.75030
8	0.82330	0.91130	0.74970

Set of atoms in the unit cell related by symmetry with the atom Cu2:

Atom	x	y	z
1	0.00000	0.58770	0.25000
2	0.00000	0.41230	0.75000
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3	0.50000	0.08770	0.25000
4	0.50000	0.91230	0.75000

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.62440	0.59380	0.09120
2	0.87560	0.09380	0.40880
3	0.37560	0.40620	0.90880
4	0.12440	0.90620	0.59120
(1/2,1/2,0)' + set click here to show and hide
5	0.12440	0.09380	0.09120
6	0.37560	0.59380	0.40880
7	0.87560	0.90620	0.90880
8	0.62440	0.40620	0.59120

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.72070	0.57020	0.41050
2	0.77930	0.07020	0.08950
3	0.27930	0.42980	0.58950
4	0.22070	0.92980	0.91050
(1/2,1/2,0)' + set click here to show and hide
5	0.22070	0.07020	0.41050
6	0.27930	0.57020	0.08950
7	0.77930	0.92980	0.58950
8	0.72070	0.42980	0.91050

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.44220	0.08490	0.08790
2	0.05780	0.58490	0.41210
3	0.55780	0.91510	0.91210
4	0.94220	0.41510	0.58790
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5	0.94220	0.58490	0.08790
6	0.55780	0.08490	0.41210
7	0.05780	0.41510	0.91210
8	0.44220	0.91510	0.58790

Set of atoms in the unit cell related by symmetry with the atom Sb2:

Atom	x	y	z
1	0.25000	0.25000	0.00000
2	0.25000	0.75000	0.50000
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3	0.75000	0.75000	0.00000
4	0.75000	0.25000	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\|
Co1	Co	0.08330	0.24970	0.49970	0.8803	8	m_x,m_y,m_z	0.0	2.4(1)	0.0	2.40
Co2	Co	0.25000	0.25000	0.00000	0.2395	4	0,0,0	0.0	0.0	0.0	0.00

label	dim. small irrep	dim. full irrep	action	number of modes
mY2+	1	1	primary	3

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