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,z,+1	{ 2₀₀₁ \| 0 }
3	-x,y+1/2,z+1/2,+1	{ m₁₀₀ \| 0 1/2 1/2 }
4	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
(1/2,1/2,1/2)' + set click here to show and hide
5	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
6	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
7	-x+1/2,y,z,-1	{ m'₁₀₀ \| 1/2 0 0 }
8	x+1/2,-y,z,-1	{ m'₀₁₀ \| 1/2 0 0 }

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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	2₀₀₁
3	-x,y,z,+1	m₁₀₀
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	2'₀₀₁
7	-x,y,z,-1	m'₁₀₀
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\|
Co1	Co	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	3.12(13)	3.12
Co2	Co	0.25000	0.94200	0.04500	4	0,m_y,m_z	0.0	0.0	-2.88(4)	2.88

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.11040	0.01110	0.51700	8
O1	O	0.99510	0.24390	0.25300	8
O2	O	0.14070	0.04080	0.01800	8
O3	O	0.25000	0.87050	0.64100	4

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	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.12000
2	0.00000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-3.12000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-3.12000
4	0.50000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	3.12000

Set of atoms in the unit cell related by symmetry with the magnetic atom Co2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.94200	0.04500	0,m_y,m_z	0.00000	0.00000	-2.88000
2	0.75000	0.05800	0.04500	0,-m_y,m_z	0.00000	0.00000	-2.88000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.75000	0.44200	0.54500	0,-m_y,-m_z	0.00000	0.00000	2.88000
4	0.25000	0.55800	0.54500	0,m_y,-m_z	0.00000	0.00000	2.88000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.11040	0.01110	0.51700
2	0.88960	0.98890	0.51700
3	0.88960	0.51110	0.01700
4	0.11040	0.48890	0.01700
(1/2,1/2,1/2)' + set click here to show and hide
5	0.61040	0.51110	0.01700
6	0.38960	0.48890	0.01700
7	0.38960	0.01110	0.51700
8	0.61040	0.98890	0.51700

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.99510	0.24390	0.25300
2	0.00490	0.75610	0.25300
3	0.00490	0.74390	0.75300
4	0.99510	0.25610	0.75300
(1/2,1/2,1/2)' + set click here to show and hide
5	0.49510	0.74390	0.75300
6	0.50490	0.25610	0.75300
7	0.50490	0.24390	0.25300
8	0.49510	0.75610	0.25300

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.14070	0.04080	0.01800
2	0.85930	0.95920	0.01800
3	0.85930	0.54080	0.51800
4	0.14070	0.45920	0.51800
(1/2,1/2,1/2)' + set click here to show and hide
5	0.64070	0.54080	0.51800
6	0.35930	0.45920	0.51800
7	0.35930	0.04080	0.01800
8	0.64070	0.95920	0.01800

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.25000	0.87050	0.64100
2	0.75000	0.12950	0.64100
(1/2,1/2,1/2)' + set click here to show and hide
3	0.75000	0.37050	0.14100
4	0.25000	0.62950	0.14100

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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	0.00000	0.00000	4	0,0,m_z	0.0	0.0	3.12(13)	3.12
Co2	Co	0.25000	0.94200	0.04500	4	0,m_y,m_z	0.0	0.0	-2.88(4)	2.88

label	dim. small irrep	dim. full irrep	action	number of modes
mX2	1	1	primary	3

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