MAGNDATA - Collection of Magnetic Structures

Transformation matrix from the parent setting (a_p,b_p,c_p) to the standard setting of the parent space group (a_pst,b_pst,c_pst):

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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+1/4,+1	{ 2₁₀₀ \| 1/2 1/2 1/4 }
3	x+1/2,-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
4	x,y+1/2,-z+1/4,+1	{ m₀₀₁ \| 0 1/2 1/4 }
(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+1/2,-y+1/2,-z+3/4,-1	{ 2'₁₀₀ \| 1/2 1/2 3/4 }
7	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
8	x,y+1/2,-z+3/4,-1	{ m'₀₀₁ \| 0 1/2 3/4 }

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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	m₀₁₀
4	x,y,-z,+1	m₀₀₁
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	m'₀₁₀
8	x,y,-z,-1	m'₀₀₁

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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	0.41274	0.00000	8	m_x,m_y,m_z	3.4(2)	0.0	0.0	3.40

Non-magnetic atoms:

Label	Atom type	x	y	Multiplicity
Ba1	Ba	0.46050	0.85216	8
F1	F	0.19810	0.30180	8
F2	F	0.72710	0.33360	8
F3	F	0.32070	0.47180	8
F4	F	0.01120	0.92060	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	0.41274	0.00000	m_x,m_y,m_z	3.40000	0.00000	0.00000
2	0.50000	0.08726	0.25000	m_x,-m_y,-m_z	3.40000	0.00000	0.00000
3	0.50000	0.58726	0.00000	-m_x,m_y,-m_z	-3.40000	0.00000	0.00000
4	0.00000	0.91274	0.25000	-m_x,-m_y,m_z	-3.40000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.41274	0.50000	-m_x,-m_y,-m_z	-3.40000	0.00000	0.00000
6	0.50000	0.08726	0.75000	-m_x,m_y,m_z	-3.40000	0.00000	0.00000
7	0.50000	0.58726	0.50000	m_x,-m_y,m_z	3.40000	0.00000	0.00000
8	0.00000	0.91274	0.75000	m_x,m_y,-m_z	3.40000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.46050	0.85216	0.00000
2	0.96050	0.64784	0.25000
3	0.96050	0.14784	0.00000
4	0.46050	0.35216	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.46050	0.85216	0.50000
6	0.96050	0.64784	0.75000
7	0.96050	0.14784	0.50000
8	0.46050	0.35216	0.75000

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.19810	0.30180	0.00000
2	0.69810	0.19820	0.25000
3	0.69810	0.69820	0.00000
4	0.19810	0.80180	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.19810	0.30180	0.50000
6	0.69810	0.19820	0.75000
7	0.69810	0.69820	0.50000
8	0.19810	0.80180	0.75000

Set of atoms in the unit cell related by symmetry with the atom F2:

Atom	x	y	z
1	0.72710	0.33360	0.00000
2	0.22710	0.16640	0.25000
3	0.22710	0.66640	0.00000
4	0.72710	0.83360	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.72710	0.33360	0.50000
6	0.22710	0.16640	0.75000
7	0.22710	0.66640	0.50000
8	0.72710	0.83360	0.75000

Set of atoms in the unit cell related by symmetry with the atom F3:

Atom	x	y	z
1	0.32070	0.47180	0.00000
2	0.82070	0.02820	0.25000
3	0.82070	0.52820	0.00000
4	0.32070	0.97180	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.32070	0.47180	0.50000
6	0.82070	0.02820	0.75000
7	0.82070	0.52820	0.50000
8	0.32070	0.97180	0.75000

Set of atoms in the unit cell related by symmetry with the atom F4:

Atom	x	y	z
1	0.01120	0.92060	0.00000
2	0.51120	0.57940	0.25000
3	0.51120	0.07940	0.00000
4	0.01120	0.42060	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.01120	0.92060	0.50000
6	0.51120	0.57940	0.75000
7	0.51120	0.07940	0.50000
8	0.01120	0.42060	0.75000

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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	0.41274	0.00000	8	m_x,m_y,m_z	3.4(2)	0.0	0.0	3.40

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mSM1	2	1	special	primary	3

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