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+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
5	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
6	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
7	-x,y,z,-1	{ m'₁₀₀ \| 0 }
8	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
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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+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
11	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
12	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
13	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
14	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
15	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
16	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 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\|
Tb1	Tb	0.336	0.332	0.25000	8	m_x,m_y,0	8.9	1.03	8.96
Ir1	Ir	0.32830	0.00000	0.00000	8	0,m_y,m_z	0.0	0.0	0.00
Ir2	Ir	0.00000	0.00000	0.00000	4	0,m_y,m_z	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ga1	Ga	0.16710	0.16770	0.07870	16
Ga2	Ga	0.10370	0.44270	0.25000	8
Ga3	Ga	0.00000	0.33310	0.56330	8
Ga4	Ga	0.00000	0.12930	0.25000	4

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	0.33600	0.33200	0.25000	m_x,m_y,0	8.90000	1.03000	0.00000
2	0.66400	0.33200	0.25000	-m_x,m_y,0	-8.90000	1.03000	0.00000
3	0.66400	0.66800	0.75000	m_x,m_y,0	8.90000	1.03000	0.00000
4	0.33600	0.66800	0.75000	-m_x,m_y,0	-8.90000	1.03000	0.00000
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5	0.83600	0.83200	0.25000	m_x,m_y,0	8.90000	1.03000	0.00000
6	0.16400	0.83200	0.25000	-m_x,m_y,0	-8.90000	1.03000	0.00000
7	0.16400	0.16800	0.75000	m_x,m_y,0	8.90000	1.03000	0.00000
8	0.83600	0.16800	0.75000	-m_x,m_y,0	-8.90000	1.03000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ir1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.32830	0.00000	0.00000	0,m_y,m_z	0.00000	0.00000	0.00000
2	0.67170	0.00000	0.50000	0,m_y,-m_z	0.00000	0.00000	0.00000
3	0.67170	0.00000	0.00000	0,m_y,m_z	0.00000	0.00000	0.00000
4	0.32830	0.00000	0.50000	0,m_y,-m_z	0.00000	0.00000	0.00000
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5	0.82830	0.50000	0.00000	0,m_y,m_z	0.00000	0.00000	0.00000
6	0.17170	0.50000	0.50000	0,m_y,-m_z	0.00000	0.00000	0.00000
7	0.17170	0.50000	0.00000	0,m_y,m_z	0.00000	0.00000	0.00000
8	0.82830	0.50000	0.50000	0,m_y,-m_z	0.00000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ir2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,m_y,m_z	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.50000	0,m_y,-m_z	0.00000	0.00000	0.00000
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3	0.50000	0.50000	0.00000	0,m_y,m_z	0.00000	0.00000	0.00000
4	0.50000	0.50000	0.50000	0,m_y,-m_z	0.00000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ga1:

Atom	x	y	z
1	0.16710	0.16770	0.07870
2	0.83290	0.16770	0.42130
3	0.83290	0.83230	0.92130
4	0.16710	0.83230	0.57870
5	0.16710	0.83230	0.92130
6	0.83290	0.83230	0.57870
7	0.83290	0.16770	0.07870
8	0.16710	0.16770	0.42130
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9	0.66710	0.66770	0.07870
10	0.33290	0.66770	0.42130
11	0.33290	0.33230	0.92130
12	0.66710	0.33230	0.57870
13	0.66710	0.33230	0.92130
14	0.33290	0.33230	0.57870
15	0.33290	0.66770	0.07870
16	0.66710	0.66770	0.42130

Set of atoms in the unit cell related by symmetry with the atom Ga2:

Atom	x	y	z
1	0.10370	0.44270	0.25000
2	0.89630	0.44270	0.25000
3	0.89630	0.55730	0.75000
4	0.10370	0.55730	0.75000
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5	0.60370	0.94270	0.25000
6	0.39630	0.94270	0.25000
7	0.39630	0.05730	0.75000
8	0.60370	0.05730	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ga3:

Atom	x	y	z
1	0.00000	0.33310	0.56330
2	0.00000	0.33310	0.93670
3	0.00000	0.66690	0.43670
4	0.00000	0.66690	0.06330
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5	0.50000	0.83310	0.56330
6	0.50000	0.83310	0.93670
7	0.50000	0.16690	0.43670
8	0.50000	0.16690	0.06330

Set of atoms in the unit cell related by symmetry with the atom Ga4:

Atom	x	y	z
1	0.00000	0.12930	0.25000
2	0.00000	0.87070	0.75000
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3	0.50000	0.62930	0.25000
4	0.50000	0.37070	0.75000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	\|M\|
Tb1	Tb	0.336	0.332	0.25000	8	m_x,m_y,0	8.9	1.03	8.96
Ir1	Ir	0.32830	0.00000	0.00000	8	0,m_y,m_z	0.0	0.0	0.00
Ir2	Ir	0.00000	0.00000	0.00000	4	0,m_y,m_z	0.0	0.0	0.00

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4+	1	1	primary	2

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