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

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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

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Fe1	Fe	0.25000	0.25000	0.00000	1.	8	m_x,m_y,m_z	2.	2.00
Fe2	Fe	0.25080	0.00000	0.00000	1.	8	m_x,0,0	2.	2.00
Fe3	Fe	0.25080	0.12400	0.75000	1.	8	m_x,m_y,0	2.	2.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Tb1	Tb	0.00000	0.1220	0.25000	0.83	4
Tb2	Tb	0.50000	0.1280	0.25000	0.17	4
Ge1	Ge	0.00000	0.03760	0.75000	1.	4
Ge2	Ge	0.50000	0.04330	0.75000	1.	4
Ge3	Ge	0.00000	0.21300	0.75000	1.	4
Ge4	Ge	0.50000	0.20450	0.75000	1.	4
Ge5	Ge	0.34770	0.12520	0.25000	0.83	8
Ge6	Ge	0.84770	0.12480	0.25000	0.17	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.00000	m_x,m_y,m_z	2.00000	0.00000	0.00000
2	0.75000	0.25000	0.50000	-m_x,m_y,-m_z	-2.00000	0.00000	0.00000
3	0.75000	0.75000	0.50000	-m_x,-m_y,m_z	-2.00000	0.00000	0.00000
4	0.25000	0.75000	0.00000	m_x,-m_y,-m_z	2.00000	0.00000	0.00000
(1/2,1/2,0)' + set click here to show and hide
5	0.75000	0.75000	0.00000	-m_x,-m_y,-m_z	-2.00000	0.00000	0.00000
6	0.25000	0.75000	0.50000	m_x,-m_y,m_z	2.00000	0.00000	0.00000
7	0.25000	0.25000	0.50000	m_x,m_y,-m_z	2.00000	0.00000	0.00000
8	0.75000	0.25000	0.00000	-m_x,m_y,m_z	-2.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25080	0.00000	0.00000	m_x,0,0	2.00000	0.00000	0.00000
2	0.74920	0.00000	0.50000	-m_x,0,0	-2.00000	0.00000	0.00000
3	0.24920	0.50000	0.00000	m_x,0,0	2.00000	0.00000	0.00000
4	0.75080	0.50000	0.50000	-m_x,0,0	-2.00000	0.00000	0.00000
(1/2,1/2,0)' + set click here to show and hide
5	0.75080	0.50000	0.00000	-m_x,0,0	-2.00000	0.00000	0.00000
6	0.24920	0.50000	0.50000	m_x,0,0	2.00000	0.00000	0.00000
7	0.74920	0.00000	0.00000	-m_x,0,0	-2.00000	0.00000	0.00000
8	0.25080	0.00000	0.50000	m_x,0,0	2.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25080	0.12400	0.75000	m_x,m_y,0	2.00000	0.00000	0.00000
2	0.74920	0.12400	0.75000	-m_x,m_y,0	-2.00000	0.00000	0.00000
3	0.74920	0.87600	0.25000	-m_x,-m_y,0	-2.00000	0.00000	0.00000
4	0.25080	0.87600	0.25000	m_x,-m_y,0	2.00000	0.00000	0.00000
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5	0.75080	0.62400	0.75000	-m_x,-m_y,0	-2.00000	0.00000	0.00000
6	0.24920	0.62400	0.75000	m_x,-m_y,0	2.00000	0.00000	0.00000
7	0.24920	0.37600	0.25000	m_x,m_y,0	2.00000	0.00000	0.00000
8	0.75080	0.37600	0.25000	-m_x,m_y,0	-2.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Tb1:

Atom	x	y	z
1	0.00000	0.12200	0.25000
2	0.00000	0.87800	0.75000
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3	0.50000	0.62200	0.25000
4	0.50000	0.37800	0.75000

Set of atoms in the unit cell related by symmetry with the atom Tb2:

Atom	x	y	z
1	0.50000	0.12800	0.25000
2	0.50000	0.87200	0.75000
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3	0.00000	0.62800	0.25000
4	0.00000	0.37200	0.75000

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

Atom	x	y	z
1	0.00000	0.03760	0.75000
2	0.00000	0.96240	0.25000
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3	0.50000	0.53760	0.75000
4	0.50000	0.46240	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ge2:

Atom	x	y	z
1	0.50000	0.04330	0.75000
2	0.50000	0.95670	0.25000
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3	0.00000	0.54330	0.75000
4	0.00000	0.45670	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ge3:

Atom	x	y	z
1	0.00000	0.21300	0.75000
2	0.00000	0.78700	0.25000
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3	0.50000	0.71300	0.75000
4	0.50000	0.28700	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ge4:

Atom	x	y	z
1	0.50000	0.20450	0.75000
2	0.50000	0.79550	0.25000
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3	0.00000	0.70450	0.75000
4	0.00000	0.29550	0.25000

Set of atoms in the unit cell related by symmetry with the atom Ge5:

Atom	x	y	z
1	0.34770	0.12520	0.25000
2	0.65230	0.12520	0.25000
3	0.65230	0.87480	0.75000
4	0.34770	0.87480	0.75000
(1/2,1/2,0)' + set click here to show and hide
5	0.84770	0.62520	0.25000
6	0.15230	0.62520	0.25000
7	0.15230	0.37480	0.75000
8	0.84770	0.37480	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ge6:

Atom	x	y	z
1	0.84770	0.12480	0.25000
2	0.15230	0.12480	0.25000
3	0.15230	0.87520	0.75000
4	0.84770	0.87520	0.75000
(1/2,1/2,0)' + set click here to show and hide
5	0.34770	0.62480	0.25000
6	0.65230	0.62480	0.25000
7	0.65230	0.37520	0.75000
8	0.34770	0.37520	0.75000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	\|M\|
Fe1	Fe	0.25000	0.25000	0.00000	8	m_x,m_y,m_z	2.	2.00
Fe2	Fe	0.25080	0.00000	0.00000	8	m_x,0,0	2.	2.00
Fe3	Fe	0.25080	0.12400	0.75000	8	m_x,m_y,0	2.	2.00

label	dim. small irrep	dim. full irrep	action	number of modes
mY1-	1	1	primary	5

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