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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
3	x,y,z,-1	1'
4	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.33300	0.43750	8	m_x,m_y,m_z	-0.9	3.3	2.6	4.30

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ge1	Ge	0.00000	0.66700	0.18750	8
Cu1_1	Cu	0.12500	0.16700	0.18750	8
Cu1_2	Cu	0.12500	0.83300	0.43750	8
S1	S	0.00000	0.33300	0.25000	8
S2	S	0.00000	0.66700	0.00000	8
S3_1	S	0.12500	0.16700	0.00000	8
S3_2	S	0.12500	0.83300	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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.33300	0.43750	m_x,m_y,m_z	-0.90000	3.30000	2.60000
2	0.25000	0.66700	0.68750	-m_x,m_y,-m_z	0.90000	3.30000	-2.60000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.33300	0.93750	m_x,m_y,m_z	-0.90000	3.30000	2.60000
4	0.75000	0.66700	0.18750	-m_x,m_y,-m_z	0.90000	3.30000	-2.60000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.33300	0.93750	-m_x,-m_y,-m_z	0.90000	-3.30000	-2.60000
6	0.25000	0.66700	0.18750	m_x,-m_y,m_z	-0.90000	-3.30000	2.60000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.33300	0.43750	-m_x,-m_y,-m_z	0.90000	-3.30000	-2.60000
8	0.75000	0.66700	0.68750	m_x,-m_y,m_z	-0.90000	-3.30000	2.60000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ge1:

Atom	x	y	z
1	0.00000	0.66700	0.18750
2	0.25000	0.33300	0.43750
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.66700	0.68750
4	0.75000	0.33300	0.93750
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.66700	0.68750
6	0.25000	0.33300	0.93750
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.66700	0.18750
8	0.75000	0.33300	0.43750

Set of atoms in the unit cell related by symmetry with the atom Cu1_1:

Atom	x	y	z
1	0.12500	0.16700	0.18750
2	0.37500	0.83300	0.43750
(1/2,0,1/2) + set click here to show and hide
3	0.62500	0.16700	0.68750
4	0.87500	0.83300	0.93750
(0,0,1/2)' + set click here to show and hide
5	0.12500	0.16700	0.68750
6	0.37500	0.83300	0.93750
(1/2,0,0)' + set click here to show and hide
7	0.62500	0.16700	0.18750
8	0.87500	0.83300	0.43750

Set of atoms in the unit cell related by symmetry with the atom Cu1_2:

Atom	x	y	z
1	0.12500	0.83300	0.43750
2	0.37500	0.16700	0.68750
(1/2,0,1/2) + set click here to show and hide
3	0.62500	0.83300	0.93750
4	0.87500	0.16700	0.18750
(0,0,1/2)' + set click here to show and hide
5	0.12500	0.83300	0.93750
6	0.37500	0.16700	0.18750
(1/2,0,0)' + set click here to show and hide
7	0.62500	0.83300	0.43750
8	0.87500	0.16700	0.68750

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

Atom	x	y	z
1	0.00000	0.33300	0.25000
2	0.25000	0.66700	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.33300	0.75000
4	0.75000	0.66700	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.33300	0.75000
6	0.25000	0.66700	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.33300	0.25000
8	0.75000	0.66700	0.50000

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

Atom	x	y	z
1	0.00000	0.66700	0.00000
2	0.25000	0.33300	0.25000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.66700	0.50000
4	0.75000	0.33300	0.75000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.66700	0.50000
6	0.25000	0.33300	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.50000	0.66700	0.00000
8	0.75000	0.33300	0.25000

Set of atoms in the unit cell related by symmetry with the atom S3_1:

Atom	x	y	z
1	0.12500	0.16700	0.00000
2	0.37500	0.83300	0.25000
(1/2,0,1/2) + set click here to show and hide
3	0.62500	0.16700	0.50000
4	0.87500	0.83300	0.75000
(0,0,1/2)' + set click here to show and hide
5	0.12500	0.16700	0.50000
6	0.37500	0.83300	0.75000
(1/2,0,0)' + set click here to show and hide
7	0.62500	0.16700	0.00000
8	0.87500	0.83300	0.25000

Set of atoms in the unit cell related by symmetry with the atom S3_2:

Atom	x	y	z
1	0.12500	0.83300	0.25000
2	0.37500	0.16700	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.62500	0.83300	0.75000
4	0.87500	0.16700	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.12500	0.83300	0.75000
6	0.37500	0.16700	0.00000
(1/2,0,0)' + set click here to show and hide
7	0.62500	0.83300	0.25000
8	0.87500	0.16700	0.50000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.00000	0.33300	0.43750	8	m_x,m_y,m_z	-0.9	3.3	2.6	4.30

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mU1	2	2	special	primary	3

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