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\|
Ho1	Ho	0.2543	0.3785	0.0816	16	m_x,m_y,m_z	3.39(3)	7.42(7)	0.0	8.16

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pd1	Pd	0.00000	0.1472	0.1410	8
Ge1	Ge	0.2790	0.1248	0.1923	16
Ge2	Ge	0.00000	0.1084	0.4572	8
Ge3	Ge	0.00000	0.1297	0.0297	8
Ge4	Ge	0.00000	0.3413	0.3102	8
Ge5	Ge	0.00000	0.4036	0.1971	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 Ho1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25430	0.37850	0.08160	m_x,m_y,m_z	3.39000	7.42000	0.00000
2	0.25430	0.62150	0.91840	m_x,-m_y,-m_z	3.39000	-7.42000	0.00000
3	0.75430	0.62150	0.58160	-m_x,m_y,-m_z	-3.39000	7.42000	0.00000
4	0.75430	0.37850	0.41840	-m_x,-m_y,m_z	-3.39000	-7.42000	0.00000
5	0.24570	0.37850	0.41840	m_x,-m_y,m_z	3.39000	-7.42000	0.00000
6	0.24570	0.62150	0.58160	m_x,m_y,-m_z	3.39000	7.42000	0.00000
7	0.74570	0.62150	0.91840	-m_x,-m_y,-m_z	-3.39000	-7.42000	0.00000
8	0.74570	0.37850	0.08160	-m_x,m_y,m_z	-3.39000	7.42000	0.00000
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9	0.75430	0.87850	0.08160	m_x,m_y,m_z	3.39000	7.42000	0.00000
10	0.75430	0.12150	0.91840	m_x,-m_y,-m_z	3.39000	-7.42000	0.00000
11	0.25430	0.12150	0.58160	-m_x,m_y,-m_z	-3.39000	7.42000	0.00000
12	0.25430	0.87850	0.41840	-m_x,-m_y,m_z	-3.39000	-7.42000	0.00000
13	0.74570	0.87850	0.41840	m_x,-m_y,m_z	3.39000	-7.42000	0.00000
14	0.74570	0.12150	0.58160	m_x,m_y,-m_z	3.39000	7.42000	0.00000
15	0.24570	0.12150	0.91840	-m_x,-m_y,-m_z	-3.39000	-7.42000	0.00000
16	0.24570	0.87850	0.08160	-m_x,m_y,m_z	-3.39000	7.42000	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	0.14720	0.14100
2	0.00000	0.85280	0.85900
3	0.50000	0.85280	0.64100
4	0.50000	0.14720	0.35900
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5	0.50000	0.64720	0.14100
6	0.50000	0.35280	0.85900
7	0.00000	0.35280	0.64100
8	0.00000	0.64720	0.35900

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

Atom	x	y	z
1	0.27900	0.12480	0.19230
2	0.27900	0.87520	0.80770
3	0.77900	0.87520	0.69230
4	0.77900	0.12480	0.30770
5	0.22100	0.12480	0.30770
6	0.22100	0.87520	0.69230
7	0.72100	0.87520	0.80770
8	0.72100	0.12480	0.19230
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9	0.77900	0.62480	0.19230
10	0.77900	0.37520	0.80770
11	0.27900	0.37520	0.69230
12	0.27900	0.62480	0.30770
13	0.72100	0.62480	0.30770
14	0.72100	0.37520	0.69230
15	0.22100	0.37520	0.80770
16	0.22100	0.62480	0.19230

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

Atom	x	y	z
1	0.00000	0.10840	0.45720
2	0.00000	0.89160	0.54280
3	0.50000	0.89160	0.95720
4	0.50000	0.10840	0.04280
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5	0.50000	0.60840	0.45720
6	0.50000	0.39160	0.54280
7	0.00000	0.39160	0.95720
8	0.00000	0.60840	0.04280

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

Atom	x	y	z
1	0.00000	0.12970	0.02970
2	0.00000	0.87030	0.97030
3	0.50000	0.87030	0.52970
4	0.50000	0.12970	0.47030
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5	0.50000	0.62970	0.02970
6	0.50000	0.37030	0.97030
7	0.00000	0.37030	0.52970
8	0.00000	0.62970	0.47030

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

Atom	x	y	z
1	0.00000	0.34130	0.31020
2	0.00000	0.65870	0.68980
3	0.50000	0.65870	0.81020
4	0.50000	0.34130	0.18980
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5	0.50000	0.84130	0.31020
6	0.50000	0.15870	0.68980
7	0.00000	0.15870	0.81020
8	0.00000	0.84130	0.18980

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

Atom	x	y	z
1	0.00000	0.40360	0.19710
2	0.00000	0.59640	0.80290
3	0.50000	0.59640	0.69710
4	0.50000	0.40360	0.30290
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5	0.50000	0.90360	0.19710
6	0.50000	0.09640	0.80290
7	0.00000	0.09640	0.69710
8	0.00000	0.90360	0.30290

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ho1	Ho	0.2543	0.3785	0.0816	16	m_x,m_y,m_z	3.39(3)	7.42(7)	0.0	8.16

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