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	{ 2₁₀₀ \| 1/2 1/2 1/2 }
3	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
4	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
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5	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
6	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 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	-1
4	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x,y,z,-1	m'₁₀₀

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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	Co	0.00000	0.18180	0.12500	8	m_x,m_y,m_z	1.	0.0	0.0	1.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Nb1_1	Nb	0.16160	0.32420	0.37225	8
Nb1_2	Nb	0.33840	0.17580	0.62225	8
O1_1	O	0.09520	0.39660	0.21645	8
O1_2	O	0.40480	0.10340	0.46645	8
O2_1	O	0.07530	0.11530	0.44420	8
O2_2	O	0.42470	0.38470	0.69420	8
O3_1	O	0.25230	0.12380	0.28465	8
O3_2	O	0.24770	0.37620	0.53465	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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.18180	0.12500	m_x,m_y,m_z	1.00000	0.00000	0.00000
2	0.50000	0.31820	0.37500	m_x,-m_y,-m_z	1.00000	0.00000	0.00000
3	0.00000	0.81820	0.37500	m_x,m_y,m_z	1.00000	0.00000	0.00000
4	0.50000	0.68180	0.12500	m_x,-m_y,-m_z	1.00000	0.00000	0.00000
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5	0.00000	0.18180	0.62500	-m_x,-m_y,-m_z	-1.00000	0.00000	0.00000
6	0.50000	0.31820	0.87500	-m_x,m_y,m_z	-1.00000	0.00000	0.00000
7	0.00000	0.81820	0.87500	-m_x,-m_y,-m_z	-1.00000	0.00000	0.00000
8	0.50000	0.68180	0.62500	-m_x,m_y,m_z	-1.00000	0.00000	0.00000

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	0.32420	0.37225
2	0.66160	0.17580	0.12775
3	0.83840	0.67580	0.12775
4	0.33840	0.82420	0.37225
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5	0.16160	0.32420	0.87225
6	0.66160	0.17580	0.62775
7	0.83840	0.67580	0.62775
8	0.33840	0.82420	0.87225

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

Atom	x	y	z
1	0.33840	0.17580	0.62225
2	0.83840	0.32420	0.87775
3	0.66160	0.82420	0.87775
4	0.16160	0.67580	0.62225
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5	0.33840	0.17580	0.12225
6	0.83840	0.32420	0.37775
7	0.66160	0.82420	0.37775
8	0.16160	0.67580	0.12225

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

Atom	x	y	z
1	0.09520	0.39660	0.21645
2	0.59520	0.10340	0.28355
3	0.90480	0.60340	0.28355
4	0.40480	0.89660	0.21645
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5	0.09520	0.39660	0.71645
6	0.59520	0.10340	0.78355
7	0.90480	0.60340	0.78355
8	0.40480	0.89660	0.71645

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

Atom	x	y	z
1	0.40480	0.10340	0.46645
2	0.90480	0.39660	0.03355
3	0.59520	0.89660	0.03355
4	0.09520	0.60340	0.46645
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5	0.40480	0.10340	0.96645
6	0.90480	0.39660	0.53355
7	0.59520	0.89660	0.53355
8	0.09520	0.60340	0.96645

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

Atom	x	y	z
1	0.07530	0.11530	0.44420
2	0.57530	0.38470	0.05580
3	0.92470	0.88470	0.05580
4	0.42470	0.61530	0.44420
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5	0.07530	0.11530	0.94420
6	0.57530	0.38470	0.55580
7	0.92470	0.88470	0.55580
8	0.42470	0.61530	0.94420

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

Atom	x	y	z
1	0.42470	0.38470	0.69420
2	0.92470	0.11530	0.80580
3	0.57530	0.61530	0.80580
4	0.07530	0.88470	0.69420
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5	0.42470	0.38470	0.19420
6	0.92470	0.11530	0.30580
7	0.57530	0.61530	0.30580
8	0.07530	0.88470	0.19420

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

Atom	x	y	z
1	0.25230	0.12380	0.28465
2	0.75230	0.37620	0.21535
3	0.74770	0.87620	0.21535
4	0.24770	0.62380	0.28465
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5	0.25230	0.12380	0.78465
6	0.75230	0.37620	0.71535
7	0.74770	0.87620	0.71535
8	0.24770	0.62380	0.78465

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

Atom	x	y	z
1	0.24770	0.37620	0.53465
2	0.74770	0.12380	0.96535
3	0.75230	0.62380	0.96535
4	0.25230	0.87620	0.53465
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5	0.24770	0.37620	0.03465
6	0.74770	0.12380	0.46535
7	0.75230	0.62380	0.46535
8	0.25230	0.87620	0.03465

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Co1	Co	0.00000	0.18180	0.12500	8	m_x,m_y,m_z	1.	0.0	0.0	1.00

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mZ1	2	2	special	primary	3

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