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	-y,x,z,+1	{ 4⁺₀₀₁ \| 0 }
3	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
4	y,-x,z,+1	{ 4^-₀₀₁ \| 0 }
5	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
6	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
7	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
8	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
9	-x,-y,-z,+1	{ -1 \| 0 }
10	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
11	x,y,-z,+1	{ m₀₀₁ \| 0 }
12	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
13	-x,y,z,-1	{ m'₁₀₀ \| 0 }
14	y,x,z,-1	{ m'_1-10 \| 0 }
15	x,-y,z,-1	{ m'₀₁₀ \| 0 }
16	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
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17	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
18	-y+1/2,x+1/2,z+1/2,+1	{ 4⁺₀₀₁ \| 1/2 1/2 1/2 }
19	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
20	y+1/2,-x+1/2,z+1/2,+1	{ 4^-₀₀₁ \| 1/2 1/2 1/2 }
21	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
22	-y+1/2,-x+1/2,-z+1/2,-1	{ 2'_1-10 \| 1/2 1/2 1/2 }
23	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
24	y+1/2,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 1/2 1/2 }
25	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
26	y+1/2,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 1/2 1/2 }
27	x+1/2,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 1/2 1/2 1/2 }
28	-y+1/2,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 1/2 1/2 1/2 }
29	-x+1/2,y+1/2,z+1/2,-1	{ m'₁₀₀ \| 1/2 1/2 1/2 }
30	y+1/2,x+1/2,z+1/2,-1	{ m'_1-10 \| 1/2 1/2 1/2 }
31	x+1/2,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 1/2 1/2 1/2 }
32	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }

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Symmetry operations of the magnetic point group in the setting used:

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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	0	0.2902(7)	4	0,0,m_z	0.0	0.0	8.11(8)	8.11
Tb2	Tb	0.2902(7)	0	0	8	0,0,m_z	0.0	0.0	8.11(8)	8.11

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ni1	Ni	0.3386(6)	0.3386(6)	0	8
Ni2	Ni	0.3386(6)	0	0.3386(6)	16
Ga1	Ga	0.25	0.25	0.25	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	0.00000	0.00000	0.29020	0,0,m_z	0.00000	0.00000	8.11000
2	0.00000	0.00000	0.70980	0,0,m_z	0.00000	0.00000	8.11000
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3	0.50000	0.50000	0.79020	0,0,m_z	0.00000	0.00000	8.11000
4	0.50000	0.50000	0.20980	0,0,m_z	0.00000	0.00000	8.11000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.29020	0.00000	0.00000	0,0,m_z	0.00000	0.00000	8.11000
2	0.00000	0.29020	0.00000	0,0,m_z	0.00000	0.00000	8.11000
3	0.70980	0.00000	0.00000	0,0,m_z	0.00000	0.00000	8.11000
4	0.00000	0.70980	0.00000	0,0,m_z	0.00000	0.00000	8.11000
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5	0.79020	0.50000	0.50000	0,0,m_z	0.00000	0.00000	8.11000
6	0.50000	0.79020	0.50000	0,0,m_z	0.00000	0.00000	8.11000
7	0.20980	0.50000	0.50000	0,0,m_z	0.00000	0.00000	8.11000
8	0.50000	0.20980	0.50000	0,0,m_z	0.00000	0.00000	8.11000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ni1:

Atom	x	y	z
1	0.33860	0.33860	0.00000
2	0.66140	0.33860	0.00000
3	0.66140	0.66140	0.00000
4	0.33860	0.66140	0.00000
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5	0.83860	0.83860	0.50000
6	0.16140	0.83860	0.50000
7	0.16140	0.16140	0.50000
8	0.83860	0.16140	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ni2:

Atom	x	y	z
1	0.33860	0.00000	0.33860
2	0.00000	0.33860	0.33860
3	0.66140	0.00000	0.33860
4	0.00000	0.66140	0.33860
5	0.33860	0.00000	0.66140
6	0.00000	0.66140	0.66140
7	0.66140	0.00000	0.66140
8	0.00000	0.33860	0.66140
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9	0.83860	0.50000	0.83860
10	0.50000	0.83860	0.83860
11	0.16140	0.50000	0.83860
12	0.50000	0.16140	0.83860
13	0.83860	0.50000	0.16140
14	0.50000	0.16140	0.16140
15	0.16140	0.50000	0.16140
16	0.50000	0.83860	0.16140

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

Atom	x	y	z
1	0.25000	0.25000	0.25000
2	0.75000	0.25000	0.25000
3	0.75000	0.75000	0.25000
4	0.25000	0.75000	0.25000
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5	0.75000	0.75000	0.75000
6	0.25000	0.75000	0.75000
7	0.25000	0.25000	0.75000
8	0.75000	0.25000	0.75000

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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	0	0.2902(7)	4	0,0,m_z	0.0	0.0	8.11(8)	8.11
Tb2	Tb	0.2902(7)	0	0	8	0,0,m_z	0.0	0.0	8.11(8)	8.11

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mGM4+	3	3	special	primary	2

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