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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-x,-y,-z,-1	-1'

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	1.1	1.1	0.0	1.56
Ni1_2	Ni	0.25000	0.50000	0.25000	4	m_x,m_y,m_z	-1.1	-1.1	0.0	1.56

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sb1_1	Sb	0.00000	0.00000	0.16585	8
Sb1_2	Sb	0.25000	0.50000	0.41585	8
O1_1	O	0.15160	0.30320	0.00000	8
O1_2	O	0.09840	0.80320	0.25000	8
O2_1	O	0.15070	0.30140	0.16450	8
O2_2	O	0.84930	0.69860	0.16450	8
O2_3	O	0.09930	0.80140	0.41450	8
O2_4	O	0.40070	0.19860	0.41450	8

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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	1.10000	1.10000	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.00000	0.50000	m_x,m_y,m_z	1.10000	1.10000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000	-m_x,-m_y,-m_z	-1.10000	-1.10000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.50000	0.00000	0.00000	-m_x,-m_y,-m_z	-1.10000	-1.10000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.50000	0.25000	m_x,m_y,m_z	-1.10000	-1.10000	0.00000
(1/2,0,1/2) + set click here to show and hide
2	0.75000	0.50000	0.75000	m_x,m_y,m_z	-1.10000	-1.10000	0.00000
(0,0,1/2)' + set click here to show and hide
3	0.25000	0.50000	0.75000	-m_x,-m_y,-m_z	1.10000	1.10000	0.00000
(1/2,0,0)' + set click here to show and hide
4	0.75000	0.50000	0.25000	-m_x,-m_y,-m_z	1.10000	1.10000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sb1_1:

Atom	x	y	z
1	0.00000	0.00000	0.16585
2	0.00000	0.00000	0.83415
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.00000	0.66585
4	0.50000	0.00000	0.33415
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.66585
6	0.00000	0.00000	0.33415
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.00000	0.16585
8	0.50000	0.00000	0.83415

Set of atoms in the unit cell related by symmetry with the atom Sb1_2:

Atom	x	y	z
1	0.25000	0.50000	0.41585
2	0.75000	0.50000	0.58415
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.50000	0.91585
4	0.25000	0.50000	0.08415
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.50000	0.91585
6	0.75000	0.50000	0.08415
(1/2,0,0)' + set click here to show and hide
7	0.75000	0.50000	0.41585
8	0.25000	0.50000	0.58415

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.15160	0.30320	0.00000
2	0.84840	0.69680	0.00000
(1/2,0,1/2) + set click here to show and hide
3	0.65160	0.30320	0.50000
4	0.34840	0.69680	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.15160	0.30320	0.50000
6	0.84840	0.69680	0.50000
(1/2,0,0)' + set click here to show and hide
7	0.65160	0.30320	0.00000
8	0.34840	0.69680	0.00000

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.09840	0.80320	0.25000
2	0.90160	0.19680	0.75000
(1/2,0,1/2) + set click here to show and hide
3	0.59840	0.80320	0.75000
4	0.40160	0.19680	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.09840	0.80320	0.75000
6	0.90160	0.19680	0.25000
(1/2,0,0)' + set click here to show and hide
7	0.59840	0.80320	0.25000
8	0.40160	0.19680	0.75000

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.15070	0.30140	0.16450
2	0.84930	0.69860	0.83550
(1/2,0,1/2) + set click here to show and hide
3	0.65070	0.30140	0.66450
4	0.34930	0.69860	0.33550
(0,0,1/2)' + set click here to show and hide
5	0.15070	0.30140	0.66450
6	0.84930	0.69860	0.33550
(1/2,0,0)' + set click here to show and hide
7	0.65070	0.30140	0.16450
8	0.34930	0.69860	0.83550

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.84930	0.69860	0.16450
2	0.15070	0.30140	0.83550
(1/2,0,1/2) + set click here to show and hide
3	0.34930	0.69860	0.66450
4	0.65070	0.30140	0.33550
(0,0,1/2)' + set click here to show and hide
5	0.84930	0.69860	0.66450
6	0.15070	0.30140	0.33550
(1/2,0,0)' + set click here to show and hide
7	0.34930	0.69860	0.16450
8	0.65070	0.30140	0.83550

Set of atoms in the unit cell related by symmetry with the atom O2_3:

Atom	x	y	z
1	0.09930	0.80140	0.41450
2	0.90070	0.19860	0.58550
(1/2,0,1/2) + set click here to show and hide
3	0.59930	0.80140	0.91450
4	0.40070	0.19860	0.08550
(0,0,1/2)' + set click here to show and hide
5	0.09930	0.80140	0.91450
6	0.90070	0.19860	0.08550
(1/2,0,0)' + set click here to show and hide
7	0.59930	0.80140	0.41450
8	0.40070	0.19860	0.58550

Set of atoms in the unit cell related by symmetry with the atom O2_4:

Atom	x	y	z
1	0.40070	0.19860	0.41450
2	0.59930	0.80140	0.58550
(1/2,0,1/2) + set click here to show and hide
3	0.90070	0.19860	0.91450
4	0.09930	0.80140	0.08550
(0,0,1/2)' + set click here to show and hide
5	0.40070	0.19860	0.91450
6	0.59930	0.80140	0.08550
(1/2,0,0)' + set click here to show and hide
7	0.90070	0.19860	0.41450
8	0.09930	0.80140	0.58550

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1_1	Ni	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	1.1	1.1	0.0	1.56
Ni1_2	Ni	0.25000	0.50000	0.25000	4	m_x,m_y,m_z	-1.1	-1.1	0.0	1.56

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mR1+	4	2	general	primary	6

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