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,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
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5	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
6	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
8	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 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\|
Ni1	Ni	0.08240	0.24940	0.49950	0.893	8	m_x,m_y,m_z	0.44(6)	0.0	1.49(4)	1.44
Ni2	Ni	0.25000	0.25000	0.00000	0.214	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	0.08240	0.24940	0.49950	0.107	8
Cu1	Cu	0.82510	0.09090	0.24920	1.	8
Cu2	Cu	0.00000	0.58540	0.25000	1.	4
O1	O	0.61910	0.58880	0.09140	1.	8
O2	O	0.72330	0.57640	0.40880	1.	8
O3	O	0.43960	0.08250	0.08820	1.	8
Sb2	Sb	0.25000	0.25000	0.00000	0.786	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 Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.08240	0.24940	0.49950	m_x,m_y,m_z	0.44000	0.00000	1.49000
2	0.91760	0.24940	0.00050	-m_x,m_y,-m_z	-0.44000	0.00000	-1.49000
3	0.91760	0.75060	0.50050	m_x,m_y,m_z	0.44000	0.00000	1.49000
4	0.08240	0.75060	0.99950	-m_x,m_y,-m_z	-0.44000	0.00000	-1.49000
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5	0.58240	0.74940	0.49950	-m_x,-m_y,-m_z	-0.44000	0.00000	-1.49000
6	0.41760	0.74940	0.00050	m_x,-m_y,m_z	0.44000	0.00000	1.49000
7	0.41760	0.25060	0.50050	-m_x,-m_y,-m_z	-0.44000	0.00000	-1.49000
8	0.58240	0.25060	0.99950	m_x,-m_y,m_z	0.44000	0.00000	1.49000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni2:

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	0.75000	0.25000	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	0.25000	0.75000	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	0.08240	0.24940	0.49950
2	0.91760	0.24940	0.00050
3	0.91760	0.75060	0.50050
4	0.08240	0.75060	0.99950
(1/2,1/2,0)' + set click here to show and hide
5	0.58240	0.74940	0.49950
6	0.41760	0.74940	0.00050
7	0.41760	0.25060	0.50050
8	0.58240	0.25060	0.99950

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

Atom	x	y	z
1	0.82510	0.09090	0.24920
2	0.17490	0.09090	0.25080
3	0.17490	0.90910	0.75080
4	0.82510	0.90910	0.74920
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5	0.32510	0.59090	0.24920
6	0.67490	0.59090	0.25080
7	0.67490	0.40910	0.75080
8	0.32510	0.40910	0.74920

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

Atom	x	y	z
1	0.00000	0.58540	0.25000
2	0.00000	0.41460	0.75000
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3	0.50000	0.08540	0.25000
4	0.50000	0.91460	0.75000

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

Atom	x	y	z
1	0.61910	0.58880	0.09140
2	0.38090	0.58880	0.40860
3	0.38090	0.41120	0.90860
4	0.61910	0.41120	0.59140
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5	0.11910	0.08880	0.09140
6	0.88090	0.08880	0.40860
7	0.88090	0.91120	0.90860
8	0.11910	0.91120	0.59140

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

Atom	x	y	z
1	0.72330	0.57640	0.40880
2	0.27670	0.57640	0.09120
3	0.27670	0.42360	0.59120
4	0.72330	0.42360	0.90880
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5	0.22330	0.07640	0.40880
6	0.77670	0.07640	0.09120
7	0.77670	0.92360	0.59120
8	0.22330	0.92360	0.90880

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

Atom	x	y	z
1	0.43960	0.08250	0.08820
2	0.56040	0.08250	0.41180
3	0.56040	0.91750	0.91180
4	0.43960	0.91750	0.58820
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5	0.93960	0.58250	0.08820
6	0.06040	0.58250	0.41180
7	0.06040	0.41750	0.91180
8	0.93960	0.41750	0.58820

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	0.75000	0.25000	0.50000
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3	0.75000	0.75000	0.00000
4	0.25000	0.75000	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\|
Ni1	Ni	0.08240	0.24940	0.49950	0.893	8	m_x,m_y,m_z	0.44(6)	0.0	1.49(4)	1.44
Ni2	Ni	0.25000	0.25000	0.00000	0.214	4	0,0,0	0.0	0.0	0.0	0.00

label	dim. small irrep	dim. full irrep	action	number of modes
mY1+	1	1	primary	3

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