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+1/2,-z,+1	{ 2₀₁₀ \| 0 1/2 0 }
3	-x+1/2,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/4 1/2 }
4	x+1/2,-y+3/4,-z+1/2,+1	{ 2₁₀₀ \| 1/2 3/4 1/2 }
5	-x+1/2,-y+1/4,-z+1/2,+1	{ -1 \| 1/2 1/4 1/2 }
6	x+1/2,-y+3/4,z+1/2,+1	{ m₀₁₀ \| 1/2 3/4 1/2 }
7	x,y,-z,+1	{ m₀₀₁ \| 0 }
8	-x,y+1/2,z,+1	{ m₁₀₀ \| 0 1/2 0 }
(0,1/2,0)' + set click here to show and hide
9	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
10	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
11	-x+1/2,-y+3/4,z+1/2,-1	{ 2'₀₀₁ \| 1/2 3/4 1/2 }
12	x+1/2,-y+1/4,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/4 1/2 }
13	-x+1/2,-y+3/4,-z+1/2,-1	{ -1' \| 1/2 3/4 1/2 }
14	x+1/2,-y+1/4,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/4 1/2 }
15	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
16	-x,y,z,-1	{ m'₁₀₀ \| 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	2₀₁₀
3	-x,-y,z,+1	2₀₀₁
4	x,-y,-z,+1	2₁₀₀
5	-x,-y,-z,+1	-1
6	x,-y,z,+1	m₀₁₀
7	x,y,-z,+1	m₀₀₁
8	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,-z,-1	2'₀₁₀
11	-x,-y,z,-1	2'₀₀₁
12	x,-y,-z,-1	2'₁₀₀
13	-x,-y,-z,-1	-1'
14	x,-y,z,-1	m'₀₁₀
15	x,y,-z,-1	m'₀₀₁
16	-x,y,z,-1	m'₁₀₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tm1	Tm	0.50000	0.00000	0.50000	4	0,0,m_z	0.0	0.0	5.7(2)	5.70
Tm2	Tm	0.12990	0.00000	0.00000	8	0,0,m_z	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Cu1_1	Cu	0.32970	0.09585	0.00000	8
Cu1_2	Cu	0.67030	0.90415	0.00000	8
Ge1	Ge	0.21740	0.25000	0.00000	8
Ge2_1	Ge	0.00000	0.09475	0.50000	4
Ge2_2	Ge	0.00000	0.90525	0.50000	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 Tm1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	5.70000
2	0.00000	0.25000	0.00000	0,0,m_z	0.00000	0.00000	5.70000
(0,1/2,0)' + set click here to show and hide
3	0.50000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-5.70000
4	0.00000	0.75000	0.00000	0,0,-m_z	0.00000	0.00000	-5.70000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tm2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.12990	0.00000	0.00000	0,0,m_z	0.00000	0.00000	0.00000
2	0.87010	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	0.00000
3	0.37010	0.25000	0.50000	0,0,m_z	0.00000	0.00000	0.00000
4	0.62990	0.75000	0.50000	0,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
5	0.12990	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	0.00000
6	0.87010	0.00000	0.00000	0,0,m_z	0.00000	0.00000	0.00000
7	0.37010	0.75000	0.50000	0,0,-m_z	0.00000	0.00000	0.00000
8	0.62990	0.25000	0.50000	0,0,m_z	0.00000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.32970	0.09585	0.00000
2	0.67030	0.59585	0.00000
3	0.17030	0.15415	0.50000
4	0.82970	0.65415	0.50000
(0,1/2,0)' + set click here to show and hide
5	0.32970	0.59585	0.00000
6	0.67030	0.09585	0.00000
7	0.17030	0.65415	0.50000
8	0.82970	0.15415	0.50000

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

Atom	x	y	z
1	0.67030	0.90415	0.00000
2	0.32970	0.40415	0.00000
3	0.82970	0.34585	0.50000
4	0.17030	0.84585	0.50000
(0,1/2,0)' + set click here to show and hide
5	0.67030	0.40415	0.00000
6	0.32970	0.90415	0.00000
7	0.82970	0.84585	0.50000
8	0.17030	0.34585	0.50000

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

Atom	x	y	z
1	0.21740	0.25000	0.00000
2	0.78260	0.75000	0.00000
3	0.28260	0.00000	0.50000
4	0.71740	0.50000	0.50000
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5	0.21740	0.75000	0.00000
6	0.78260	0.25000	0.00000
7	0.28260	0.50000	0.50000
8	0.71740	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ge2_1:

Atom	x	y	z
1	0.00000	0.09475	0.50000
2	0.50000	0.15525	0.00000
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3	0.00000	0.59475	0.50000
4	0.50000	0.65525	0.00000

Set of atoms in the unit cell related by symmetry with the atom Ge2_2:

Atom	x	y	z
1	0.00000	0.90525	0.50000
2	0.50000	0.34475	0.00000
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3	0.00000	0.40525	0.50000
4	0.50000	0.84475	0.00000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tm1	Tm	0.50000	0.00000	0.50000	4	0,0,m_z	0.0	0.0	5.7(2)	5.70
Tm2	Tm	0.12990	0.00000	0.00000	8	0,0,m_z	0.0	0.0	0.0	0.00

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mDT4	2	1	special	primary	2

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