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	3.67(1)	0.25(2)	3.68

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Lu1_1	Lu	0.01820	0.45755	0.75000	4
Lu1_2	Lu	0.98180	0.54245	0.25000	4
O1_1	O	0.87900	0.27155	0.75000	4
O1_2	O	0.12100	0.72845	0.25000	4
O2_1	O	0.69580	0.16555	0.05700	8
O2_2	O	0.30420	0.83445	0.55700	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	3.67000	0.25000
2	0.00000	0.25000	0.00000	m_x,-m_y,-m_z	0.00000	-3.67000	-0.25000
3	0.50000	0.00000	0.50000	-m_x,-m_y,m_z	0.00000	-3.67000	0.25000
4	0.00000	0.25000	0.50000	-m_x,m_y,-m_z	0.00000	3.67000	-0.25000
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5	0.50000	0.50000	0.00000	-m_x,-m_y,-m_z	0.00000	-3.67000	-0.25000
6	0.00000	0.75000	0.00000	-m_x,m_y,m_z	0.00000	3.67000	0.25000
7	0.50000	0.50000	0.50000	m_x,m_y,-m_z	0.00000	3.67000	-0.25000
8	0.00000	0.75000	0.50000	m_x,-m_y,m_z	0.00000	-3.67000	0.25000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.01820	0.45755	0.75000
2	0.51820	0.79245	0.25000
(0,1/2,0)' + set click here to show and hide
3	0.01820	0.95755	0.75000
4	0.51820	0.29245	0.25000

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

Atom	x	y	z
1	0.98180	0.54245	0.25000
2	0.48180	0.70755	0.75000
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3	0.98180	0.04245	0.25000
4	0.48180	0.20755	0.75000

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

Atom	x	y	z
1	0.87900	0.27155	0.75000
2	0.37900	0.97845	0.25000
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3	0.87900	0.77155	0.75000
4	0.37900	0.47845	0.25000

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

Atom	x	y	z
1	0.12100	0.72845	0.25000
2	0.62100	0.52155	0.75000
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3	0.12100	0.22845	0.25000
4	0.62100	0.02155	0.75000

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

Atom	x	y	z
1	0.69580	0.16555	0.05700
2	0.19580	0.08445	0.94300
3	0.69580	0.16555	0.44300
4	0.19580	0.08445	0.55700
(0,1/2,0)' + set click here to show and hide
5	0.69580	0.66555	0.05700
6	0.19580	0.58445	0.94300
7	0.69580	0.66555	0.44300
8	0.19580	0.58445	0.55700

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

Atom	x	y	z
1	0.30420	0.83445	0.55700
2	0.80420	0.41555	0.44300
3	0.30420	0.83445	0.94300
4	0.80420	0.41555	0.05700
(0,1/2,0)' + set click here to show and hide
5	0.30420	0.33445	0.55700
6	0.80420	0.91555	0.44300
7	0.30420	0.33445	0.94300
8	0.80420	0.91555	0.05700

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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	3.67(1)	0.25(2)	3.68

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