MAGNDATA - Collection of Magnetic Structures

N	(x,y,z)	Seitz notation
1	x,y,z,+1	{ 1 \| 0 }
2	x+1/2,-y+3/4,-z,+1	{ 2₁₀₀ \| 1/2 3/4 0 }
3	x,y,-z,+1	{ m₀₀₁ \| 0 }
4	x+1/2,-y+3/4,z,+1	{ m₀₁₀ \| 1/2 3/4 0 }
(0,1/2,0)' + set click here to show and hide
5	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
6	x+1/2,-y+1/4,-z,-1	{ 2'₁₀₀ \| 1/2 1/4 0 }
7	x,y+1/2,-z,-1	{ m'₀₀₁ \| 0 1/2 0 }
8	x+1/2,-y+1/4,z,-1	{ m'₀₁₀ \| 1/2 1/4 0 }

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	x,y,-z,+1	m₀₀₁
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	2'₁₀₀
7	x,y,-z,-1	m'₀₀₁
8	x,-y,z,-1	m'₀₁₀

Magnetic atoms:

Label	Atom type	x	y	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Tb1	Tb	0.00000	0.00000	4	0,0,m_z	7.4(3)	7.40
Tb2_1	Tb	0.21780	0.12045	4	0,0,m_z	0.0	0.00
Tb2_2	Tb	0.78220	0.87955	4	0,0,m_z	0.0	0.00
Tb3_1	Tb	0.42000	0.05915	4	0,0,m_z	7.0(2)	7.00
Tb3_2	Tb	0.58000	0.94085	1	0,0,m_z	-7.0(2).	7.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pd1_1	Pd	0.30220	0.01160	0.50000	4
Pd1_2	Pd	0.69780	0.98840	0.50000	4
In1_1	In	0.56970	0.10410	0.50000	4
In1_2	In	0.43030	0.89590	0.50000	4
In2_1	In	0.85040	0.03780	0.50000	4
In2_2	In	0.14960	0.96220	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 Tb1:

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	7.40000
2	0.50000	0.75000	0.00000	0,0,-m_z	0.00000	0.00000	-7.40000
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3	0.00000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-7.40000
4	0.50000	0.25000	0.00000	0,0,m_z	0.00000	0.00000	7.40000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.21780	0.12045	0.00000	0,0,m_z	0.00000	0.00000	0.00000
2	0.71780	0.62955	0.00000	0,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.21780	0.62045	0.00000	0,0,-m_z	0.00000	0.00000	0.00000
4	0.71780	0.12955	0.00000	0,0,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.78220	0.87955	0.00000	0,0,m_z	0.00000	0.00000	0.00000
2	0.28220	0.87045	0.00000	0,0,-m_z	0.00000	0.00000	0.00000
(0,1/2,0)' + set click here to show and hide
3	0.78220	0.37955	0.00000	0,0,-m_z	0.00000	0.00000	0.00000
4	0.28220	0.37045	0.00000	0,0,m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb3_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.42000	0.05915	0.00000	0,0,m_z	0.00000	0.00000	7.00000
2	0.92000	0.69085	0.00000	0,0,-m_z	0.00000	0.00000	-7.00000
(0,1/2,0)' + set click here to show and hide
3	0.42000	0.55915	0.00000	0,0,-m_z	0.00000	0.00000	-7.00000
4	0.92000	0.19085	0.00000	0,0,m_z	0.00000	0.00000	7.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb3_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pd1_1:

Atom	x	y	z
1	0.30220	0.01160	0.50000
2	0.80220	0.73840	0.50000
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3	0.30220	0.51160	0.50000
4	0.80220	0.23840	0.50000

Set of atoms in the unit cell related by symmetry with the atom Pd1_2:

Atom	x	y	z
1	0.69780	0.98840	0.50000
2	0.19780	0.76160	0.50000
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3	0.69780	0.48840	0.50000
4	0.19780	0.26160	0.50000

Set of atoms in the unit cell related by symmetry with the atom In1_1:

Atom	x	y	z
1	0.56970	0.10410	0.50000
2	0.06970	0.64590	0.50000
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3	0.56970	0.60410	0.50000
4	0.06970	0.14590	0.50000

Set of atoms in the unit cell related by symmetry with the atom In1_2:

Atom	x	y	z
1	0.43030	0.89590	0.50000
2	0.93030	0.85410	0.50000
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3	0.43030	0.39590	0.50000
4	0.93030	0.35410	0.50000

Set of atoms in the unit cell related by symmetry with the atom In2_1:

Atom	x	y	z
1	0.85040	0.03780	0.50000
2	0.35040	0.71220	0.50000
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3	0.85040	0.53780	0.50000
4	0.35040	0.21220	0.50000

Set of atoms in the unit cell related by symmetry with the atom In2_2:

Atom	x	y	z
1	0.14960	0.96220	0.50000
2	0.64960	0.78780	0.50000
(0,1/2,0)' + set click here to show and hide
3	0.14960	0.46220	0.50000
4	0.64960	0.28780	0.50000

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Label	Atom type	x	y	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Tb1	Tb	0.00000	0.00000	4	0,0,m_z	7.4(3)	7.40
Tb2_1	Tb	0.21780	0.12045	4	0,0,m_z	0.0	0.00
Tb2_2	Tb	0.78220	0.87955	4	0,0,m_z	0.0	0.00
Tb3_1	Tb	0.42000	0.05915	4	0,0,m_z	7.0(2)	7.00
Tb3_2	Tb	0.58000	0.94085	1	0,0,m_z	-7.0(2).	7.00

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mY2	2	2	special	primary	5

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