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-y+1/3,-y+2/3,-z+1/3,+1	{ 2₁₀₀ \| 1/3 2/3 1/3 }
(1/3,2/3,1/3) + set click here to show and hide
3	x+1/3,y+2/3,z+1/3,+1	{ 1 \| 1/3 2/3 1/3 }
4	x-y+2/3,-y+1/3,-z+2/3,+1	{ 2₁₀₀ \| 2/3 1/3 2/3 }
(2/3,1/3,2/3) + set click here to show and hide
5	x+2/3,y+1/3,z+2/3,+1	{ 1 \| 2/3 1/3 2/3 }
6	x-y,-y,-z,+1	{ 2₁₀₀ \| 0 }
(1/3,2/3,5/6)' + set click here to show and hide
7	x+1/3,y+2/3,z+5/6,-1	{ 1' \| 1/3 2/3 5/6 }
8	x-y+2/3,-y+1/3,-z+1/6,-1	{ 2'₁₀₀ \| 2/3 1/3 1/6 }
(2/3,1/3,1/6)' + set click here to show and hide
9	x+2/3,y+1/3,z+1/6,-1	{ 1' \| 2/3 1/3 1/6 }
10	x-y,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
11	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
12	x-y+1/3,-y+2/3,-z+5/6,-1	{ 2'₁₀₀ \| 1/3 2/3 5/6 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x-y,-y,-z,+1	2₁₀₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	x-y,-y,-z,-1	2'₁₀₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Nd1	Nd	0.00000	0.00000	0.00000	6	m_x,0,0	0.5	0.50
Fe1	Fe	0.33333	0.21777	0.33333	12	m_x,m_y,m_z	3.8	3.80
Fe2	Fe	0.55110	0.00000	0.00000	6	m_x,0,0	3.8	3.80

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 Nd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	0.50000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333	m_x,0,0	0.50000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667	m_x,0,0	0.50000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
4	0.33333	0.66667	0.83333	-m_x,0,0	-0.50000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
5	0.66667	0.33333	0.16667	-m_x,0,0	-0.50000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.00000	0.50000	-m_x,0,0	-0.50000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.21777	0.33333	m_x,m_y,m_z	3.80000	0.00000	0.00000
2	0.44889	0.44890	0.00000	m_x-m_y,-m_y,-m_z	3.80000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
3	0.66666	0.88444	0.66666	m_x,m_y,m_z	3.80000	0.00000	0.00000
4	0.78223	0.11556	0.33333	m_x-m_y,-m_y,-m_z	3.80000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
5	0.00000	0.55110	0.00000	m_x,m_y,m_z	3.80000	0.00000	0.00000
6	0.11556	0.78223	0.66667	m_x-m_y,-m_y,-m_z	3.80000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
7	0.66666	0.88444	0.16666	-m_x,-m_y,-m_z	-3.80000	0.00000	0.00000
8	0.78223	0.11556	0.83333	-m_x+m_y,m_y,m_z	-3.80000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
9	0.00000	0.55110	0.50000	-m_x,-m_y,-m_z	-3.80000	0.00000	0.00000
10	0.11556	0.78223	0.16667	-m_x+m_y,m_y,m_z	-3.80000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.33333	0.21777	0.83333	-m_x,-m_y,-m_z	-3.80000	0.00000	0.00000
12	0.44889	0.44890	0.50000	-m_x+m_y,m_y,m_z	-3.80000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.55110	0.00000	0.00000	m_x,0,0	3.80000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.88443	0.66667	0.33333	m_x,0,0	3.80000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.21777	0.33333	0.66667	m_x,0,0	3.80000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
4	0.88443	0.66667	0.83333	-m_x,0,0	-3.80000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
5	0.21777	0.33333	0.16667	-m_x,0,0	-3.80000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
6	0.55110	0.00000	0.50000	-m_x,0,0	-3.80000	0.00000	0.00000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Nd1	Nd	0.00000	0.00000	0.00000	6	m_x,0,0	0.5	0.50
Fe1	Fe	0.33333	0.21777	0.33333	12	m_x,m_y,m_z	3.8	3.80
Fe2	Fe	0.55110	0.00000	0.00000	6	m_x,0,0	3.8	3.80

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

Set of atoms in the unit cell related by symmetry with the magnetic atom Nd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,0	0.50000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33333	m_x,0,0	0.50000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.66667	m_x,0,0	0.50000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
4	0.33333	0.66667	0.83333	-m_x,0,0	-0.50000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
5	0.66667	0.33333	0.16667	-m_x,0,0	-0.50000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
6	0.00000	0.00000	0.50000	-m_x,0,0	-0.50000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.33333	0.21777	0.33333	m_x,m_y,m_z	3.80000	0.00000	0.00000
2	0.44889	0.44890	0.00000	m_x-m_y,-m_y,-m_z	3.80000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
3	0.66666	0.88444	0.66666	m_x,m_y,m_z	3.80000	0.00000	0.00000
4	0.78223	0.11556	0.33333	m_x-m_y,-m_y,-m_z	3.80000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
5	0.00000	0.55110	0.00000	m_x,m_y,m_z	3.80000	0.00000	0.00000
6	0.11556	0.78223	0.66667	m_x-m_y,-m_y,-m_z	3.80000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
7	0.66666	0.88444	0.16666	-m_x,-m_y,-m_z	-3.80000	0.00000	0.00000
8	0.78223	0.11556	0.83333	-m_x+m_y,m_y,m_z	-3.80000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
9	0.00000	0.55110	0.50000	-m_x,-m_y,-m_z	-3.80000	0.00000	0.00000
10	0.11556	0.78223	0.16667	-m_x+m_y,m_y,m_z	-3.80000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
11	0.33333	0.21777	0.83333	-m_x,-m_y,-m_z	-3.80000	0.00000	0.00000
12	0.44889	0.44890	0.50000	-m_x+m_y,m_y,m_z	-3.80000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.55110	0.00000	0.00000	m_x,0,0	3.80000	0.00000	0.00000
(1/3,2/3,1/3) + set click here to show and hide
2	0.88443	0.66667	0.33333	m_x,0,0	3.80000	0.00000	0.00000
(2/3,1/3,2/3) + set click here to show and hide
3	0.21777	0.33333	0.66667	m_x,0,0	3.80000	0.00000	0.00000
(1/3,2/3,5/6)' + set click here to show and hide
4	0.88443	0.66667	0.83333	-m_x,0,0	-3.80000	0.00000	0.00000
(2/3,1/3,1/6)' + set click here to show and hide
5	0.21777	0.33333	0.16667	-m_x,0,0	-3.80000	0.00000	0.00000
(0,0,1/2)' + set click here to show and hide
6	0.55110	0.00000	0.50000	-m_x,0,0	-3.80000	0.00000	0.00000

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label	dim. full irrep	dim. small irrep	direction	action
mT3	2	2	special	primary

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