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,+1	{ 2₁₀₀ \| 1/2 1/4 0 }
3	-x+1/2,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 1/2 3/4 1/2 }
4	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
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5	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
6	x+1/2,-y+3/4,-z,-1	{ 2'₁₀₀ \| 1/2 3/4 0 }
7	-x+1/2,-y+1/4,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/4 1/2 }
8	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }

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Symmetry operations of the magnetic point group in the setting used:

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,z,+1	2₀₀₁
4	-x,y,-z,+1	2₀₁₀
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5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,-y,z,-1	2'₀₀₁
8	-x,y,-z,-1	2'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1_1	Co	0.00000	0.09090	0.25000	4	m_x,0,m_z	1.57	0.0	2.61	3.05
Co1_2	Co	0.00000	0.90910	0.75000	4	m_x,0,m_z	1.57	0.0	2.61	3.05

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Nb1_1	Nb	0.16160	0.16210	0.74450	8
Nb1_2	Nb	0.83840	0.83790	0.25550	8
O1_1	O	0.09520	0.19830	0.43290	8
O1_2	O	0.90480	0.80170	0.56710	8
O2_1	O	0.07530	0.05765	0.88840	8
O2_2	O	0.92470	0.94235	0.11160	8
O3_1	O	0.25230	0.06190	0.56930	8
O3_2	O	0.74770	0.93810	0.43070	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 Co1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.09090	0.25000	m_x,0,m_z	1.57000	0.00000	2.61000
2	0.50000	0.15910	0.75000	m_x,0,-m_z	1.57000	0.00000	-2.61000
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3	0.00000	0.59090	0.25000	-m_x,0,-m_z	-1.57000	0.00000	-2.61000
4	0.50000	0.65910	0.75000	-m_x,0,m_z	-1.57000	0.00000	2.61000

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	0.00000	0.90910	0.75000	m_x,0,m_z	1.57000	0.00000	2.61000
2	0.50000	0.34090	0.25000	m_x,0,-m_z	1.57000	0.00000	-2.61000
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3	0.00000	0.40910	0.75000	-m_x,0,-m_z	-1.57000	0.00000	-2.61000
4	0.50000	0.84090	0.25000	-m_x,0,m_z	-1.57000	0.00000	2.61000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Nb1_1:

Atom	x	y	z
1	0.16160	0.16210	0.74450
2	0.66160	0.08790	0.25550
3	0.33840	0.58790	0.24450
4	0.83840	0.66210	0.75550
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5	0.16160	0.66210	0.74450
6	0.66160	0.58790	0.25550
7	0.33840	0.08790	0.24450
8	0.83840	0.16210	0.75550

Set of atoms in the unit cell related by symmetry with the atom Nb1_2:

Atom	x	y	z
1	0.83840	0.83790	0.25550
2	0.33840	0.41210	0.74450
3	0.66160	0.91210	0.75550
4	0.16160	0.33790	0.24450
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5	0.83840	0.33790	0.25550
6	0.33840	0.91210	0.74450
7	0.66160	0.41210	0.75550
8	0.16160	0.83790	0.24450

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

Atom	x	y	z
1	0.09520	0.19830	0.43290
2	0.59520	0.05170	0.56710
3	0.40480	0.55170	0.93290
4	0.90480	0.69830	0.06710
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5	0.09520	0.69830	0.43290
6	0.59520	0.55170	0.56710
7	0.40480	0.05170	0.93290
8	0.90480	0.19830	0.06710

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

Atom	x	y	z
1	0.90480	0.80170	0.56710
2	0.40480	0.44830	0.43290
3	0.59520	0.94830	0.06710
4	0.09520	0.30170	0.93290
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5	0.90480	0.30170	0.56710
6	0.40480	0.94830	0.43290
7	0.59520	0.44830	0.06710
8	0.09520	0.80170	0.93290

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

Atom	x	y	z
1	0.07530	0.05765	0.88840
2	0.57530	0.19235	0.11160
3	0.42470	0.69235	0.38840
4	0.92470	0.55765	0.61160
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5	0.07530	0.55765	0.88840
6	0.57530	0.69235	0.11160
7	0.42470	0.19235	0.38840
8	0.92470	0.05765	0.61160

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

Atom	x	y	z
1	0.92470	0.94235	0.11160
2	0.42470	0.30765	0.88840
3	0.57530	0.80765	0.61160
4	0.07530	0.44235	0.38840
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5	0.92470	0.44235	0.11160
6	0.42470	0.80765	0.88840
7	0.57530	0.30765	0.61160
8	0.07530	0.94235	0.38840

Set of atoms in the unit cell related by symmetry with the atom O3_1:

Atom	x	y	z
1	0.25230	0.06190	0.56930
2	0.75230	0.18810	0.43070
3	0.24770	0.68810	0.06930
4	0.74770	0.56190	0.93070
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5	0.25230	0.56190	0.56930
6	0.75230	0.68810	0.43070
7	0.24770	0.18810	0.06930
8	0.74770	0.06190	0.93070

Set of atoms in the unit cell related by symmetry with the atom O3_2:

Atom	x	y	z
1	0.74770	0.93810	0.43070
2	0.24770	0.31190	0.56930
3	0.75230	0.81190	0.93070
4	0.25230	0.43810	0.06930
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5	0.74770	0.43810	0.43070
6	0.24770	0.81190	0.56930
7	0.75230	0.31190	0.93070
8	0.25230	0.93810	0.06930

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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	0.00000	0.09090	0.25000	4	m_x,0,m_z	1.57	0.0	2.61	3.05
Co1_2	Co	0.00000	0.90910	0.75000	4	m_x,0,m_z	1.57	0.0	2.61	3.05

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mY2	2	2	special	primary	4

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