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	-z+3/4,-y+3/4,-x+1/4,+1	{ 2_-101 \| 3/4 3/4 1/4 }
(1/2,0,1/2) + set click here to show and hide
3	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
4	-z+1/4,-y+3/4,-x+3/4,+1	{ 2_-101 \| 1/4 3/4 3/4 }
(0,1/2,1/2)' + set click here to show and hide
5	x,y+1/2,z+1/2,-1	{ 1' \| 0 1/2 1/2 }
6	-z+3/4,-y+1/4,-x+3/4,-1	{ 2'_-101 \| 3/4 1/4 3/4 }
(1/2,1/2,0)' + set click here to show and hide
7	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
8	-z+1/4,-y+1/4,-x+1/4,-1	{ 2'_-101 \| 1/4 1/4 1/4 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-z,-y,-x,+1	2_-101
1' + set click here to show and hide
3	x,y,z,-1	1'
4	-z,-y,-x,-1	2'_-101

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.62500	0.62500	0.62500	4	m_x,m_x,m_z	1.56	1.56	1.56	2.70
Mn1_2	Mn	0.37500	0.87500	0.12500	8	m_x,m_x,m_z	-1.56	-1.56	-1.56	2.70
Mn1_3	Mn	0.87500	0.12500	0.37500	4	m_x,m_y,m_z	1.56	1.56	1.56	2.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Y1	Y	0.25000	0.25000	0.25000	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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.62500	0.62500	0.62500	m_x,m_x,m_z	1.56000	1.56000	1.56000
(1/2,0,1/2) + set click here to show and hide
2	0.12500	0.62500	0.12500	m_x,m_x,m_z	1.56000	1.56000	1.56000
(0,1/2,1/2)' + set click here to show and hide
3	0.62500	0.12500	0.12500	-m_x,-m_x,-m_z	-1.56000	-1.56000	-1.56000
(1/2,1/2,0)' + set click here to show and hide
4	0.12500	0.12500	0.62500	-m_x,-m_x,-m_z	-1.56000	-1.56000	-1.56000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.37500	0.87500	0.12500	m_x,m_x,m_z	-1.56000	-1.56000	-1.56000
2	0.62500	0.87500	0.87500	-m_z,-m_x,-m_x	1.56000	1.56000	1.56000
(1/2,0,1/2) + set click here to show and hide
3	0.87500	0.87500	0.62500	m_x,m_x,m_z	-1.56000	-1.56000	-1.56000
4	0.12500	0.87500	0.37500	-m_z,-m_x,-m_x	1.56000	1.56000	1.56000
(0,1/2,1/2)' + set click here to show and hide
5	0.37500	0.37500	0.62500	-m_x,-m_x,-m_z	1.56000	1.56000	1.56000
6	0.62500	0.37500	0.37500	m_z,m_x,m_x	-1.56000	-1.56000	-1.56000
(1/2,1/2,0)' + set click here to show and hide
7	0.87500	0.37500	0.12500	-m_x,-m_x,-m_z	1.56000	1.56000	1.56000
8	0.12500	0.37500	0.87500	m_z,m_x,m_x	-1.56000	-1.56000	-1.56000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.87500	0.12500	0.37500	m_x,m_y,m_z	1.56000	1.56000	1.56000
(1/2,0,1/2) + set click here to show and hide
2	0.37500	0.12500	0.87500	m_x,m_y,m_z	1.56000	1.56000	1.56000
(0,1/2,1/2)' + set click here to show and hide
3	0.87500	0.62500	0.87500	-m_x,-m_y,-m_z	-1.56000	-1.56000	-1.56000
(1/2,1/2,0)' + set click here to show and hide
4	0.37500	0.62500	0.37500	-m_x,-m_y,-m_z	-1.56000	-1.56000	-1.56000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Y1:

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

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.62500	0.62500	0.62500	4	m_x,m_x,m_z	1.56	1.56	1.56	2.70
Mn1_2	Mn	0.37500	0.87500	0.12500	8	m_x,m_x,m_z	-1.56	-1.56	-1.56	2.70
Mn1_3	Mn	0.87500	0.12500	0.37500	4	m_x,m_y,m_z	1.56	1.56	1.56	2.70

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