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+1/4,-z,+1	{ 2₁₀₀ \| 1/2 1/4 0 }
3	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
4	x+1/2,-y+1/4,z+1/2,+1	{ m₀₁₀ \| 1/2 1/4 1/2 }
(0,1/2,0)' + set click here to show and hide
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,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 0 1/2 1/2 }
8	x+1/2,-y+3/4,z+1/2,-1	{ m'₀₁₀ \| 1/2 3/4 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	m₀₀₁
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	2'₁₀₀
7	x,y,-z,-1	m'₀₀₁
8	x,-y,z,-1	m'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\|
Mn1	Mn	0.50000	0.00000	0.00000	8	m_x,m_y,m_z	0.0	3.37(4)	0.0	3.37

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Lu1_1	Lu	0.51910	0.29370	0.25000	4
Lu1_2	Lu	0.48090	0.70630	0.75000	4
O1_1	O	0.37870	0.47890	0.25000	4
O1_2	O	0.62130	0.52110	0.75000	4
O2_1	O	0.69780	0.16485	0.05760	8
O2_2	O	0.30220	0.83515	0.55760	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	m_x,m_y,m_z	0.00000	3.37000	0.00000
2	0.00000	0.25000	0.00000	m_x,-m_y,-m_z	0.00000	-3.37000	0.00000
3	0.50000	0.00000	0.50000	-m_x,-m_y,m_z	0.00000	-3.37000	0.00000
4	0.00000	0.25000	0.50000	-m_x,m_y,-m_z	0.00000	3.37000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	-3.37000	0.00000
6	0.00000	0.75000	0.00000	-m_x,m_y,m_z	0.00000	3.37000	0.00000
7	0.50000	0.50000	0.50000	m_x,m_y,-m_z	0.00000	3.37000	0.00000
8	0.00000	0.75000	0.50000	m_x,-m_y,m_z	0.00000	-3.37000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Lu1_1:

Atom	x	y	z
1	0.51910	0.29370	0.25000
2	0.01910	0.95630	0.75000
(0,1/2,0)' + set click here to show and hide
3	0.51910	0.79370	0.25000
4	0.01910	0.45630	0.75000

Set of atoms in the unit cell related by symmetry with the atom Lu1_2:

Atom	x	y	z
1	0.48090	0.70630	0.75000
2	0.98090	0.54370	0.25000
(0,1/2,0)' + set click here to show and hide
3	0.48090	0.20630	0.75000
4	0.98090	0.04370	0.25000

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

Atom	x	y	z
1	0.37870	0.47890	0.25000
2	0.87870	0.77110	0.75000
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3	0.37870	0.97890	0.25000
4	0.87870	0.27110	0.75000

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

Atom	x	y	z
1	0.62130	0.52110	0.75000
2	0.12130	0.72890	0.25000
(0,1/2,0)' + set click here to show and hide
3	0.62130	0.02110	0.75000
4	0.12130	0.22890	0.25000

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

Atom	x	y	z
1	0.69780	0.16485	0.05760
2	0.19780	0.08515	0.94240
3	0.69780	0.16485	0.44240
4	0.19780	0.08515	0.55760
(0,1/2,0)' + set click here to show and hide
5	0.69780	0.66485	0.05760
6	0.19780	0.58515	0.94240
7	0.69780	0.66485	0.44240
8	0.19780	0.58515	0.55760

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

Atom	x	y	z
1	0.30220	0.83515	0.55760
2	0.80220	0.41485	0.44240
3	0.30220	0.83515	0.94240
4	0.80220	0.41485	0.05760
(0,1/2,0)' + set click here to show and hide
5	0.30220	0.33515	0.55760
6	0.80220	0.91485	0.44240
7	0.30220	0.33515	0.94240
8	0.80220	0.91485	0.05760

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.50000	0.00000	0.00000	8	m_x,m_y,m_z	0.0	3.37(4)	0.0	3.37

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX1	2	2	special	primary	3

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