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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,-z,+1	-1

Magnetic atoms:

Label	Atom type	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Cr1	Cr	0.00000	3	m_x,m_y,m_z	-1.05	0.58	1.20
Cr2	Cr	0.50000	3	m_x,m_y,m_z	-1.05	0.58	1.20
Cr3	Cr	0.33000	6	m_x,m_y,m_z	1.05	-0.58	1.20

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
S1	S	0.33300	0.00000	0.25100	6
S2	S	0.00000	0.33300	0.25100	6
S3	S	0.66700	0.66700	0.25100	6

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 Cr1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	-1.05000	0.00000	0.58000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.33333	m_x,m_y,m_z	-1.05000	0.00000	0.58000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.66667	m_x,m_y,m_z	-1.05000	0.00000	0.58000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.50000	m_x,m_y,m_z	-1.05000	0.00000	0.58000
(2/3,1/3,1/3) + set click here to show and hide
2	0.66667	0.33333	0.83333	m_x,m_y,m_z	-1.05000	0.00000	0.58000
(1/3,2/3,2/3) + set click here to show and hide
3	0.33333	0.66667	0.16667	m_x,m_y,m_z	-1.05000	0.00000	0.58000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.33000	m_x,m_y,m_z	1.05000	0.00000	-0.58000
2	0.00000	0.00000	0.67000	m_x,m_y,m_z	1.05000	0.00000	-0.58000
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.33333	0.66333	m_x,m_y,m_z	1.05000	0.00000	-0.58000
4	0.66667	0.33333	0.00333	m_x,m_y,m_z	1.05000	0.00000	-0.58000
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.66667	0.99667	m_x,m_y,m_z	1.05000	0.00000	-0.58000
6	0.33333	0.66667	0.33667	m_x,m_y,m_z	1.05000	0.00000	-0.58000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom S1:

Atom	x	y	z
1	0.33300	0.00000	0.25100
2	0.66700	0.00000	0.74900
(2/3,1/3,1/3) + set click here to show and hide
3	0.99967	0.33333	0.58433
4	0.33367	0.33333	0.08233
(1/3,2/3,2/3) + set click here to show and hide
5	0.66633	0.66667	0.91767
6	0.00033	0.66667	0.41567

Set of atoms in the unit cell related by symmetry with the atom S2:

Atom	x	y	z
1	0.00000	0.33300	0.25100
2	0.00000	0.66700	0.74900
(2/3,1/3,1/3) + set click here to show and hide
3	0.66667	0.66633	0.58433
4	0.66667	0.00033	0.08233
(1/3,2/3,2/3) + set click here to show and hide
5	0.33333	0.99967	0.91767
6	0.33333	0.33367	0.41567

Set of atoms in the unit cell related by symmetry with the atom S3:

Atom	x	y	z
1	0.66700	0.66700	0.25100
2	0.33300	0.33300	0.74900
(2/3,1/3,1/3) + set click here to show and hide
3	0.33367	0.00033	0.58433
4	0.99967	0.66633	0.08233
(1/3,2/3,2/3) + set click here to show and hide
5	0.00033	0.33367	0.91767
6	0.66633	0.99967	0.41567

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Label	Atom type	z	Multiplicity	Symmetry constraints on M	M_x	M_z	\|M\|
Cr1	Cr	0.00000	3	m_x,m_y,m_z	-1.05	0.58	1.20
Cr2	Cr	0.50000	3	m_x,m_y,m_z	-1.05	0.58	1.20
Cr3	Cr	0.33000	6	m_x,m_y,m_z	1.05	-0.58	1.20

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