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+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
5	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
6	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
7	-x,y,z,-1	{ m'₁₀₀ \| 0 }
8	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
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9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-x,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
11	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
12	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
13	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
14	-x,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 0 1/2 1/2 }
15	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
16	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.2532	0.3823	0.0823	16	m_x,m_y,m_z	0.0	2.11(2)	0.0	2.11

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pd1	Pd	0.0000	0.1343	0.1438	8
Ge1	Ge	0.2763	0.11230	0.1940	16
Ge2	Ge	0.00000	0.1138	0.4612	8
Ge3	Ge	0.00000	0.1128	0.0285	8
Ge4	Ge	0.00000	0.3440	0.3099	8
Ge5	Ge	0.00000	0.3990	0.1994	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 Nd1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25320	0.38230	0.08230	m_x,m_y,m_z	0.00000	2.11000	0.00000
2	0.24680	0.61770	0.58230	-m_x,-m_y,m_z	0.00000	-2.11000	0.00000
3	0.74680	0.61770	0.91770	m_x,m_y,m_z	0.00000	2.11000	0.00000
4	0.75320	0.38230	0.41770	-m_x,-m_y,m_z	0.00000	-2.11000	0.00000
5	0.25320	0.61770	0.91770	-m_x,m_y,m_z	0.00000	2.11000	0.00000
6	0.24680	0.38230	0.41770	m_x,-m_y,m_z	0.00000	-2.11000	0.00000
7	0.74680	0.38230	0.08230	-m_x,m_y,m_z	0.00000	2.11000	0.00000
8	0.75320	0.61770	0.58230	m_x,-m_y,m_z	0.00000	-2.11000	0.00000
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9	0.75320	0.88230	0.08230	m_x,m_y,m_z	0.00000	2.11000	0.00000
10	0.74680	0.11770	0.58230	-m_x,-m_y,m_z	0.00000	-2.11000	0.00000
11	0.24680	0.11770	0.91770	m_x,m_y,m_z	0.00000	2.11000	0.00000
12	0.25320	0.88230	0.41770	-m_x,-m_y,m_z	0.00000	-2.11000	0.00000
13	0.75320	0.11770	0.91770	-m_x,m_y,m_z	0.00000	2.11000	0.00000
14	0.74680	0.88230	0.41770	m_x,-m_y,m_z	0.00000	-2.11000	0.00000
15	0.24680	0.88230	0.08230	-m_x,m_y,m_z	0.00000	2.11000	0.00000
16	0.25320	0.11770	0.58230	m_x,-m_y,m_z	0.00000	-2.11000	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	0.13430	0.14380
2	0.50000	0.86570	0.64380
3	0.00000	0.86570	0.85620
4	0.50000	0.13430	0.35620
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5	0.50000	0.63430	0.14380
6	0.00000	0.36570	0.64380
7	0.50000	0.36570	0.85620
8	0.00000	0.63430	0.35620

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

Atom	x	y	z
1	0.27630	0.11230	0.19400
2	0.22370	0.88770	0.69400
3	0.72370	0.88770	0.80600
4	0.77630	0.11230	0.30600
5	0.27630	0.88770	0.80600
6	0.22370	0.11230	0.30600
7	0.72370	0.11230	0.19400
8	0.77630	0.88770	0.69400
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9	0.77630	0.61230	0.19400
10	0.72370	0.38770	0.69400
11	0.22370	0.38770	0.80600
12	0.27630	0.61230	0.30600
13	0.77630	0.38770	0.80600
14	0.72370	0.61230	0.30600
15	0.22370	0.61230	0.19400
16	0.27630	0.38770	0.69400

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

Atom	x	y	z
1	0.00000	0.11380	0.46120
2	0.50000	0.88620	0.96120
3	0.00000	0.88620	0.53880
4	0.50000	0.11380	0.03880
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5	0.50000	0.61380	0.46120
6	0.00000	0.38620	0.96120
7	0.50000	0.38620	0.53880
8	0.00000	0.61380	0.03880

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

Atom	x	y	z
1	0.00000	0.11280	0.02850
2	0.50000	0.88720	0.52850
3	0.00000	0.88720	0.97150
4	0.50000	0.11280	0.47150
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5	0.50000	0.61280	0.02850
6	0.00000	0.38720	0.52850
7	0.50000	0.38720	0.97150
8	0.00000	0.61280	0.47150

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

Atom	x	y	z
1	0.00000	0.34400	0.30990
2	0.50000	0.65600	0.80990
3	0.00000	0.65600	0.69010
4	0.50000	0.34400	0.19010
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5	0.50000	0.84400	0.30990
6	0.00000	0.15600	0.80990
7	0.50000	0.15600	0.69010
8	0.00000	0.84400	0.19010

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

Atom	x	y	z
1	0.00000	0.39900	0.19940
2	0.50000	0.60100	0.69940
3	0.00000	0.60100	0.80060
4	0.50000	0.39900	0.30060
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5	0.50000	0.89900	0.19940
6	0.00000	0.10100	0.69940
7	0.50000	0.10100	0.80060
8	0.00000	0.89900	0.30060

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Nd1	Nd	0.2532	0.3823	0.0823	16	m_x,m_y,m_z	0.0	2.11(2)	0.0	2.11

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	3

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