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	{ 2₁₀₀ \| 0 }
3	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
5	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
6	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 0 }
8	-x,y,z,-1	{ m'₁₀₀ \| 0 }
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9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
11	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
12	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
13	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
14	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
15	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
16	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }

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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	Tb	0.2556	0.3810	0.0813	16	m_x,m_y,m_z	2.29(7)	8.32(7)	0.0	8.63

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pd1	Pd	0.00000	0.1499	0.1448	8
Ge1	Ge	0.2786	0.1151	0.1913	16
Ge2	Ge	0.00000	0.1045	0.4617	8
Ge3	Ge	0.00000	0.1321	0.0292	8
Ge4	Ge	0.00000	0.3540	0.3099	8
Ge5	Ge	0.00000	0.4004	0.1997	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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25560	0.38100	0.08130	m_x,m_y,m_z	2.29000	8.32000	0.00000
2	0.25560	0.61900	0.91870	m_x,-m_y,-m_z	2.29000	-8.32000	0.00000
3	0.75560	0.61900	0.58130	-m_x,m_y,-m_z	-2.29000	8.32000	0.00000
4	0.75560	0.38100	0.41870	-m_x,-m_y,m_z	-2.29000	-8.32000	0.00000
5	0.24440	0.38100	0.41870	m_x,-m_y,m_z	2.29000	-8.32000	0.00000
6	0.24440	0.61900	0.58130	m_x,m_y,-m_z	2.29000	8.32000	0.00000
7	0.74440	0.61900	0.91870	-m_x,-m_y,-m_z	-2.29000	-8.32000	0.00000
8	0.74440	0.38100	0.08130	-m_x,m_y,m_z	-2.29000	8.32000	0.00000
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9	0.75560	0.88100	0.08130	m_x,m_y,m_z	2.29000	8.32000	0.00000
10	0.75560	0.11900	0.91870	m_x,-m_y,-m_z	2.29000	-8.32000	0.00000
11	0.25560	0.11900	0.58130	-m_x,m_y,-m_z	-2.29000	8.32000	0.00000
12	0.25560	0.88100	0.41870	-m_x,-m_y,m_z	-2.29000	-8.32000	0.00000
13	0.74440	0.88100	0.41870	m_x,-m_y,m_z	2.29000	-8.32000	0.00000
14	0.74440	0.11900	0.58130	m_x,m_y,-m_z	2.29000	8.32000	0.00000
15	0.24440	0.11900	0.91870	-m_x,-m_y,-m_z	-2.29000	-8.32000	0.00000
16	0.24440	0.88100	0.08130	-m_x,m_y,m_z	-2.29000	8.32000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pd1:

Atom	x	y	z
1	0.00000	0.14990	0.14480
2	0.00000	0.85010	0.85520
3	0.50000	0.85010	0.64480
4	0.50000	0.14990	0.35520
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5	0.50000	0.64990	0.14480
6	0.50000	0.35010	0.85520
7	0.00000	0.35010	0.64480
8	0.00000	0.64990	0.35520

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

Atom	x	y	z
1	0.27860	0.11510	0.19130
2	0.27860	0.88490	0.80870
3	0.77860	0.88490	0.69130
4	0.77860	0.11510	0.30870
5	0.22140	0.11510	0.30870
6	0.22140	0.88490	0.69130
7	0.72140	0.88490	0.80870
8	0.72140	0.11510	0.19130
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9	0.77860	0.61510	0.19130
10	0.77860	0.38490	0.80870
11	0.27860	0.38490	0.69130
12	0.27860	0.61510	0.30870
13	0.72140	0.61510	0.30870
14	0.72140	0.38490	0.69130
15	0.22140	0.38490	0.80870
16	0.22140	0.61510	0.19130

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

Atom	x	y	z
1	0.00000	0.10450	0.46170
2	0.00000	0.89550	0.53830
3	0.50000	0.89550	0.96170
4	0.50000	0.10450	0.03830
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5	0.50000	0.60450	0.46170
6	0.50000	0.39550	0.53830
7	0.00000	0.39550	0.96170
8	0.00000	0.60450	0.03830

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

Atom	x	y	z
1	0.00000	0.13210	0.02920
2	0.00000	0.86790	0.97080
3	0.50000	0.86790	0.52920
4	0.50000	0.13210	0.47080
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5	0.50000	0.63210	0.02920
6	0.50000	0.36790	0.97080
7	0.00000	0.36790	0.52920
8	0.00000	0.63210	0.47080

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

Atom	x	y	z
1	0.00000	0.35400	0.30990
2	0.00000	0.64600	0.69010
3	0.50000	0.64600	0.80990
4	0.50000	0.35400	0.19010
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5	0.50000	0.85400	0.30990
6	0.50000	0.14600	0.69010
7	0.00000	0.14600	0.80990
8	0.00000	0.85400	0.19010

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

Atom	x	y	z
1	0.00000	0.40040	0.19970
2	0.00000	0.59960	0.80030
3	0.50000	0.59960	0.69970
4	0.50000	0.40040	0.30030
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5	0.50000	0.90040	0.19970
6	0.50000	0.09960	0.80030
7	0.00000	0.09960	0.69970
8	0.00000	0.90040	0.30030

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.2556	0.3810	0.0813	16	m_x,m_y,m_z	2.29(7)	8.32(7)	0.0	8.63

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3-	1	1	primary	3

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