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_1	Tb	0	0	0.2915(5)	4	0,0,m_z	0.0	0.0	4.05(8)	4.05
Tb1_2	Tb	0.2915(5)	0	0	8	0,0,m_z	0.0	0.0	4.05(8)	4.05

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ni1_1	Ni	0.3367(13)	0.3367(13)	0	8
Ni1_2	Ni	0.3367(13)	0	0.3367(13)	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_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.29150	0,0,m_z	0.00000	0.00000	4.05000
2	0.00000	0.00000	0.70850	0,0,m_z	0.00000	0.00000	4.05000
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3	0.50000	0.50000	0.79150	0,0,m_z	0.00000	0.00000	4.05000
4	0.50000	0.50000	0.20850	0,0,m_z	0.00000	0.00000	4.05000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.29150	0.00000	0.00000	0,0,m_z	0.00000	0.00000	4.05000
2	0.00000	0.29150	0.00000	0,0,m_z	0.00000	0.00000	4.05000
3	0.70850	0.00000	0.00000	0,0,m_z	0.00000	0.00000	4.05000
4	0.00000	0.70850	0.00000	0,0,m_z	0.00000	0.00000	4.05000
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5	0.79150	0.50000	0.50000	0,0,m_z	0.00000	0.00000	4.05000
6	0.50000	0.79150	0.50000	0,0,m_z	0.00000	0.00000	4.05000
7	0.20850	0.50000	0.50000	0,0,m_z	0.00000	0.00000	4.05000
8	0.50000	0.20850	0.50000	0,0,m_z	0.00000	0.00000	4.05000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ni1_1:

Atom	x	y	z
1	0.33670	0.33670	0.00000
2	0.66330	0.33670	0.00000
3	0.66330	0.66330	0.00000
4	0.33670	0.66330	0.00000
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5	0.83670	0.83670	0.50000
6	0.16330	0.83670	0.50000
7	0.16330	0.16330	0.50000
8	0.83670	0.16330	0.50000

Set of atoms in the unit cell related by symmetry with the atom Ni1_2:

Atom	x	y	z
1	0.33670	0.00000	0.33670
2	0.00000	0.33670	0.33670
3	0.66330	0.00000	0.33670
4	0.00000	0.66330	0.33670
5	0.33670	0.00000	0.66330
6	0.00000	0.66330	0.66330
7	0.66330	0.00000	0.66330
8	0.00000	0.33670	0.66330
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9	0.83670	0.50000	0.83670
10	0.50000	0.83670	0.83670
11	0.16330	0.50000	0.83670
12	0.50000	0.16330	0.83670
13	0.83670	0.50000	0.16330
14	0.50000	0.16330	0.16330
15	0.16330	0.50000	0.16330
16	0.50000	0.83670	0.16330

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_1	Tb	0	0	0.2915(5)	4	0,0,m_z	0.0	0.0	4.05(8)	4.05
Tb1_2	Tb	0.2915(5)	0	0	8	0,0,m_z	0.0	0.0	4.05(8)	4.05

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