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	{ 2₀₁₀ \| 1/2 0 1/2 }
3	-x,y,z,+1	{ m₁₀₀ \| 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	{ 2'₀₀₁ \| 1/2 0 1/2 }
7	-x,-y,-z,-1	{ -1' \| 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	{ 2₀₁₀ \| 0 1/2 1/2 }
11	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 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	{ 2'₀₀₁ \| 0 1/2 1/2 }
15	-x+1/2,-y+1/2,-z,-1	{ -1' \| 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\|
Er1	Er	0.2530	0.3678	0.0817	16	m_x,m_y,m_z	7.58(9)	0.0	0.0	7.58

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Pt1	Pt	0.00000	0.1292	0.14009	8
Ge1	Ge	0.2595	0.1271	0.1941	16
Ge2	Ge	0.00000	0.0946	0.4665	8
Ge3	Ge	0.00000	0.1205	0.0355	8
Ge4	Ge	0.00000	0.3624	0.3120	8
Ge5	Ge	0.00000	0.4135	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 Er1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25300	0.36780	0.08170	m_x,m_y,m_z	7.58000	0.00000	0.00000
2	0.24700	0.36780	0.41830	-m_x,m_y,-m_z	-7.58000	0.00000	0.00000
3	0.74700	0.36780	0.08170	m_x,-m_y,-m_z	7.58000	0.00000	0.00000
4	0.75300	0.36780	0.41830	-m_x,-m_y,m_z	-7.58000	0.00000	0.00000
5	0.25300	0.63220	0.91830	-m_x,m_y,m_z	-7.58000	0.00000	0.00000
6	0.24700	0.63220	0.58170	m_x,m_y,-m_z	7.58000	0.00000	0.00000
7	0.74700	0.63220	0.91830	-m_x,-m_y,-m_z	-7.58000	0.00000	0.00000
8	0.75300	0.63220	0.58170	m_x,-m_y,m_z	7.58000	0.00000	0.00000
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9	0.75300	0.86780	0.08170	m_x,m_y,m_z	7.58000	0.00000	0.00000
10	0.74700	0.86780	0.41830	-m_x,m_y,-m_z	-7.58000	0.00000	0.00000
11	0.24700	0.86780	0.08170	m_x,-m_y,-m_z	7.58000	0.00000	0.00000
12	0.25300	0.86780	0.41830	-m_x,-m_y,m_z	-7.58000	0.00000	0.00000
13	0.75300	0.13220	0.91830	-m_x,m_y,m_z	-7.58000	0.00000	0.00000
14	0.74700	0.13220	0.58170	m_x,m_y,-m_z	7.58000	0.00000	0.00000
15	0.24700	0.13220	0.91830	-m_x,-m_y,-m_z	-7.58000	0.00000	0.00000
16	0.25300	0.13220	0.58170	m_x,-m_y,m_z	7.58000	0.00000	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	0.12920	0.14009
2	0.50000	0.12920	0.35991
3	0.00000	0.87080	0.85991
4	0.50000	0.87080	0.64009
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5	0.50000	0.62920	0.14009
6	0.00000	0.62920	0.35991
7	0.50000	0.37080	0.85991
8	0.00000	0.37080	0.64009

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

Atom	x	y	z
1	0.25950	0.12710	0.19410
2	0.24050	0.12710	0.30590
3	0.74050	0.12710	0.19410
4	0.75950	0.12710	0.30590
5	0.25950	0.87290	0.80590
6	0.24050	0.87290	0.69410
7	0.74050	0.87290	0.80590
8	0.75950	0.87290	0.69410
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9	0.75950	0.62710	0.19410
10	0.74050	0.62710	0.30590
11	0.24050	0.62710	0.19410
12	0.25950	0.62710	0.30590
13	0.75950	0.37290	0.80590
14	0.74050	0.37290	0.69410
15	0.24050	0.37290	0.80590
16	0.25950	0.37290	0.69410

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

Atom	x	y	z
1	0.00000	0.09460	0.46650
2	0.50000	0.09460	0.03350
3	0.00000	0.90540	0.53350
4	0.50000	0.90540	0.96650
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5	0.50000	0.59460	0.46650
6	0.00000	0.59460	0.03350
7	0.50000	0.40540	0.53350
8	0.00000	0.40540	0.96650

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

Atom	x	y	z
1	0.00000	0.12050	0.03550
2	0.50000	0.12050	0.46450
3	0.00000	0.87950	0.96450
4	0.50000	0.87950	0.53550
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5	0.50000	0.62050	0.03550
6	0.00000	0.62050	0.46450
7	0.50000	0.37950	0.96450
8	0.00000	0.37950	0.53550

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

Atom	x	y	z
1	0.00000	0.36240	0.31200
2	0.50000	0.36240	0.18800
3	0.00000	0.63760	0.68800
4	0.50000	0.63760	0.81200
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5	0.50000	0.86240	0.31200
6	0.00000	0.86240	0.18800
7	0.50000	0.13760	0.68800
8	0.00000	0.13760	0.81200

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

Atom	x	y	z
1	0.00000	0.41350	0.19470
2	0.50000	0.41350	0.30530
3	0.00000	0.58650	0.80530
4	0.50000	0.58650	0.69470
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5	0.50000	0.91350	0.19470
6	0.00000	0.91350	0.30530
7	0.50000	0.08650	0.80530
8	0.00000	0.08650	0.69470

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.2530	0.3678	0.0817	16	m_x,m_y,m_z	7.58(9)	0.0	0.0	7.58

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4-	1	1	primary	3

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