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+1/2,-z+1/2,+1	{ 2₀₁₀ \| 1/4 1/2 1/2 }
3	-x+3/4,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 3/4 1/2 1/2 }
4	x+1/2,-y,-z,+1	{ 2₁₀₀ \| 1/2 0 0 }
5	-x+3/4,-y+1/2,-z,+1	{ -1 \| 3/4 1/2 0 }
6	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
7	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
8	-x+1/4,y+1/2,z,+1	{ m₁₀₀ \| 1/4 1/2 0 }
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9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	-x+3/4,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 3/4 1/2 1/2 }
11	-x+1/4,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/4 1/2 1/2 }
12	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
13	-x+1/4,-y+1/2,-z,-1	{ -1' \| 1/4 1/2 0 }
14	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
15	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
16	-x+3/4,y+1/2,z,-1	{ m'₁₀₀ \| 3/4 1/2 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
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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\|
Tb1_1	Tb	0.00000	0.41670	0.08333	16	m_x,m_y,m_z	0.0	0.0	8.15(7)	8.15
Tb1_2	Tb	0.00000	0.58330	0.25000	8	0,0,m_z	0.0	0.0	-8.30(5)	8.30

Non-magnetic atoms:

Label	Atom type	y	z	Multiplicity
Ge1_1	Ge	0.03820	0.08333	16
Ge1_2	Ge	0.96180	0.25000	8
Ge2_1	Ge	0.69170	0.08333	16
Ge2_2	Ge	0.30830	0.25000	8
Ge3_1	Ge	0.80950	0.08333	16
Ge3_2	Ge	0.19050	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 Tb1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.41670	0.08333	m_x,m_y,m_z	0.00000	0.00000	8.15000
2	0.25000	0.91670	0.41667	-m_x,m_y,-m_z	0.00000	0.00000	-8.15000
3	0.75000	0.08330	0.58333	-m_x,-m_y,m_z	0.00000	0.00000	8.15000
4	0.50000	0.58330	0.91667	m_x,-m_y,-m_z	0.00000	0.00000	-8.15000
5	0.75000	0.08330	0.91667	m_x,m_y,m_z	0.00000	0.00000	8.15000
6	0.50000	0.58330	0.58333	-m_x,m_y,-m_z	0.00000	0.00000	-8.15000
7	0.00000	0.41670	0.41667	-m_x,-m_y,m_z	0.00000	0.00000	8.15000
8	0.25000	0.91670	0.08333	m_x,-m_y,-m_z	0.00000	0.00000	-8.15000
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9	0.50000	0.41670	0.08333	-m_x,-m_y,-m_z	0.00000	0.00000	-8.15000
10	0.75000	0.91670	0.41667	m_x,-m_y,m_z	0.00000	0.00000	8.15000
11	0.25000	0.08330	0.58333	m_x,m_y,-m_z	0.00000	0.00000	-8.15000
12	0.00000	0.58330	0.91667	-m_x,m_y,m_z	0.00000	0.00000	8.15000
13	0.25000	0.08330	0.91667	-m_x,-m_y,-m_z	0.00000	0.00000	-8.15000
14	0.00000	0.58330	0.58333	m_x,-m_y,m_z	0.00000	0.00000	8.15000
15	0.50000	0.41670	0.41667	m_x,m_y,-m_z	0.00000	0.00000	-8.15000
16	0.75000	0.91670	0.08333	-m_x,m_y,m_z	0.00000	0.00000	8.15000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.58330	0.25000	0,0,m_z	0.00000	0.00000	-8.30000
2	0.25000	0.08330	0.25000	0,0,-m_z	0.00000	0.00000	8.30000
3	0.75000	0.91670	0.75000	0,0,m_z	0.00000	0.00000	-8.30000
4	0.50000	0.41670	0.75000	0,0,-m_z	0.00000	0.00000	8.30000
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5	0.50000	0.58330	0.25000	0,0,-m_z	0.00000	0.00000	8.30000
6	0.75000	0.08330	0.25000	0,0,m_z	0.00000	0.00000	-8.30000
7	0.25000	0.91670	0.75000	0,0,-m_z	0.00000	0.00000	8.30000
8	0.00000	0.41670	0.75000	0,0,m_z	0.00000	0.00000	-8.30000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ge1_1:

Atom	x	y	z
1	0.00000	0.03820	0.08333
2	0.25000	0.53820	0.41667
3	0.75000	0.46180	0.58333
4	0.50000	0.96180	0.91667
5	0.75000	0.46180	0.91667
6	0.50000	0.96180	0.58333
7	0.00000	0.03820	0.41667
8	0.25000	0.53820	0.08333
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9	0.50000	0.03820	0.08333
10	0.75000	0.53820	0.41667
11	0.25000	0.46180	0.58333
12	0.00000	0.96180	0.91667
13	0.25000	0.46180	0.91667
14	0.00000	0.96180	0.58333
15	0.50000	0.03820	0.41667
16	0.75000	0.53820	0.08333

Set of atoms in the unit cell related by symmetry with the atom Ge1_2:

Atom	x	y	z
1	0.00000	0.96180	0.25000
2	0.25000	0.46180	0.25000
3	0.75000	0.53820	0.75000
4	0.50000	0.03820	0.75000
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5	0.50000	0.96180	0.25000
6	0.75000	0.46180	0.25000
7	0.25000	0.53820	0.75000
8	0.00000	0.03820	0.75000

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

Atom	x	y	z
1	0.00000	0.69170	0.08333
2	0.25000	0.19170	0.41667
3	0.75000	0.80830	0.58333
4	0.50000	0.30830	0.91667
5	0.75000	0.80830	0.91667
6	0.50000	0.30830	0.58333
7	0.00000	0.69170	0.41667
8	0.25000	0.19170	0.08333
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9	0.50000	0.69170	0.08333
10	0.75000	0.19170	0.41667
11	0.25000	0.80830	0.58333
12	0.00000	0.30830	0.91667
13	0.25000	0.80830	0.91667
14	0.00000	0.30830	0.58333
15	0.50000	0.69170	0.41667
16	0.75000	0.19170	0.08333

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

Atom	x	y	z
1	0.00000	0.30830	0.25000
2	0.25000	0.80830	0.25000
3	0.75000	0.19170	0.75000
4	0.50000	0.69170	0.75000
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5	0.50000	0.30830	0.25000
6	0.75000	0.80830	0.25000
7	0.25000	0.19170	0.75000
8	0.00000	0.69170	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ge3_1:

Atom	x	y	z
1	0.00000	0.80950	0.08333
2	0.25000	0.30950	0.41667
3	0.75000	0.69050	0.58333
4	0.50000	0.19050	0.91667
5	0.75000	0.69050	0.91667
6	0.50000	0.19050	0.58333
7	0.00000	0.80950	0.41667
8	0.25000	0.30950	0.08333
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9	0.50000	0.80950	0.08333
10	0.75000	0.30950	0.41667
11	0.25000	0.69050	0.58333
12	0.00000	0.19050	0.91667
13	0.25000	0.69050	0.91667
14	0.00000	0.19050	0.58333
15	0.50000	0.80950	0.41667
16	0.75000	0.30950	0.08333

Set of atoms in the unit cell related by symmetry with the atom Ge3_2:

Atom	x	y	z
1	0.00000	0.19050	0.25000
2	0.25000	0.69050	0.25000
3	0.75000	0.30950	0.75000
4	0.50000	0.80950	0.75000
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5	0.50000	0.19050	0.25000
6	0.75000	0.69050	0.25000
7	0.25000	0.30950	0.75000
8	0.00000	0.80950	0.75000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1_1	Tb	0.00000	0.41670	0.08333	16	m_x,m_y,m_z	0.0	0.0	8.15(7)	8.15
Tb1_2	Tb	0.00000	0.58330	0.25000	8	0,0,m_z	0.0	0.0	-8.30(5)	8.30

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