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	0.2505	0.3829	0.0803	16	m_x,m_y,m_z	2.27(7)	8.50(5)	0.0	8.80

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pt1	Pt	0.00000	0.1283	0.1417	8
Ge1	Ge	0.2709	00.1267	0.1935	16
Ge2	Ge	0.00000	0.1127	0.4615	8
Ge3	Ge	0.00000	0.1277	0.0311	8
Ge4	Ge	0.00000	0.3502	0.3079	8
Ge5	Ge	0.00000	0.4025	0.1947	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	0.25050	0.38290	0.08030	m_x,m_y,m_z	2.27000	8.50000	0.00000
2	0.25050	0.61710	0.91970	m_x,-m_y,-m_z	2.27000	-8.50000	0.00000
3	0.75050	0.61710	0.58030	-m_x,m_y,-m_z	-2.27000	8.50000	0.00000
4	0.75050	0.38290	0.41970	-m_x,-m_y,m_z	-2.27000	-8.50000	0.00000
5	0.24950	0.38290	0.41970	m_x,-m_y,m_z	2.27000	-8.50000	0.00000
6	0.24950	0.61710	0.58030	m_x,m_y,-m_z	2.27000	8.50000	0.00000
7	0.74950	0.61710	0.91970	-m_x,-m_y,-m_z	-2.27000	-8.50000	0.00000
8	0.74950	0.38290	0.08030	-m_x,m_y,m_z	-2.27000	8.50000	0.00000
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9	0.75050	0.88290	0.08030	m_x,m_y,m_z	2.27000	8.50000	0.00000
10	0.75050	0.11710	0.91970	m_x,-m_y,-m_z	2.27000	-8.50000	0.00000
11	0.25050	0.11710	0.58030	-m_x,m_y,-m_z	-2.27000	8.50000	0.00000
12	0.25050	0.88290	0.41970	-m_x,-m_y,m_z	-2.27000	-8.50000	0.00000
13	0.74950	0.88290	0.41970	m_x,-m_y,m_z	2.27000	-8.50000	0.00000
14	0.74950	0.11710	0.58030	m_x,m_y,-m_z	2.27000	8.50000	0.00000
15	0.24950	0.11710	0.91970	-m_x,-m_y,-m_z	-2.27000	-8.50000	0.00000
16	0.24950	0.88290	0.08030	-m_x,m_y,m_z	-2.27000	8.50000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Pt1:

Atom	x	y	z
1	0.00000	0.12830	0.14170
2	0.00000	0.87170	0.85830
3	0.50000	0.87170	0.64170
4	0.50000	0.12830	0.35830
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5	0.50000	0.62830	0.14170
6	0.50000	0.37170	0.85830
7	0.00000	0.37170	0.64170
8	0.00000	0.62830	0.35830

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

Atom	x	y	z
1	0.27090	0.12670	0.19350
2	0.27090	0.87330	0.80650
3	0.77090	0.87330	0.69350
4	0.77090	0.12670	0.30650
5	0.22910	0.12670	0.30650
6	0.22910	0.87330	0.69350
7	0.72910	0.87330	0.80650
8	0.72910	0.12670	0.19350
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9	0.77090	0.62670	0.19350
10	0.77090	0.37330	0.80650
11	0.27090	0.37330	0.69350
12	0.27090	0.62670	0.30650
13	0.72910	0.62670	0.30650
14	0.72910	0.37330	0.69350
15	0.22910	0.37330	0.80650
16	0.22910	0.62670	0.19350

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

Atom	x	y	z
1	0.00000	0.11270	0.46150
2	0.00000	0.88730	0.53850
3	0.50000	0.88730	0.96150
4	0.50000	0.11270	0.03850
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5	0.50000	0.61270	0.46150
6	0.50000	0.38730	0.53850
7	0.00000	0.38730	0.96150
8	0.00000	0.61270	0.03850

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

Atom	x	y	z
1	0.00000	0.12770	0.03110
2	0.00000	0.87230	0.96890
3	0.50000	0.87230	0.53110
4	0.50000	0.12770	0.46890
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5	0.50000	0.62770	0.03110
6	0.50000	0.37230	0.96890
7	0.00000	0.37230	0.53110
8	0.00000	0.62770	0.46890

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

Atom	x	y	z
1	0.00000	0.35020	0.30790
2	0.00000	0.64980	0.69210
3	0.50000	0.64980	0.80790
4	0.50000	0.35020	0.19210
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5	0.50000	0.85020	0.30790
6	0.50000	0.14980	0.69210
7	0.00000	0.14980	0.80790
8	0.00000	0.85020	0.19210

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

Atom	x	y	z
1	0.00000	0.40250	0.19470
2	0.00000	0.59750	0.80530
3	0.50000	0.59750	0.69470
4	0.50000	0.40250	0.30530
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5	0.50000	0.90250	0.19470
6	0.50000	0.09750	0.80530
7	0.00000	0.09750	0.69470
8	0.00000	0.90250	0.30530

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.2505	0.3829	0.0803	16	m_x,m_y,m_z	2.27(7)	8.50(5)	0.0	8.80

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