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+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
3	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x+1/2,y+1/2,z,+1	{ m₁₀₀ \| 1/2 1/2 0 }
7	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
8	x,y,-z,+1	{ m₀₀₁ \| 0 }
(1/2,1/2,1/2)' + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
10	x,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
11	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
12	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }
13	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
14	-x,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
15	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
16	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }

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

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,-y,z,+1	m₀₁₀
8	x,y,-z,+1	m₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	-x,y,z,-1	m'₁₀₀
15	x,-y,z,-1	m'₀₁₀
16	x,y,-z,-1	m'₀₀₁

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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	0.26820	0.37290	0.00000	8	0,0,m_z	0.0	0.0	7.87(4)	7.87

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ni1	Ni	0.11480	0.13900	0.00000	8
Ni2	Ni	0.50000	0.00000	0.25000	4
Si1	Si	0.34670	0.13080	0.00000	8
Si2	Si	0.00000	0.26080	0.25000	8
Si3	Si	0.00000	0.00000	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	0.26820	0.37290	0.00000	0,0,m_z	0.00000	0.00000	7.87000
2	0.76820	0.12710	0.00000	0,0,-m_z	0.00000	0.00000	-7.87000
3	0.23180	0.87290	0.00000	0,0,-m_z	0.00000	0.00000	-7.87000
4	0.73180	0.62710	0.00000	0,0,m_z	0.00000	0.00000	7.87000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.76820	0.87290	0.50000	0,0,-m_z	0.00000	0.00000	-7.87000
6	0.26820	0.62710	0.50000	0,0,m_z	0.00000	0.00000	7.87000
7	0.73180	0.37290	0.50000	0,0,m_z	0.00000	0.00000	7.87000
8	0.23180	0.12710	0.50000	0,0,-m_z	0.00000	0.00000	-7.87000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.11480	0.13900	0.00000
2	0.61480	0.36100	0.00000
3	0.38520	0.63900	0.00000
4	0.88520	0.86100	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.61480	0.63900	0.50000
6	0.11480	0.86100	0.50000
7	0.88520	0.13900	0.50000
8	0.38520	0.36100	0.50000

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

Atom	x	y	z
1	0.50000	0.00000	0.25000
2	0.50000	0.00000	0.75000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.75000
4	0.00000	0.50000	0.25000

Set of atoms in the unit cell related by symmetry with the atom Si1:

Atom	x	y	z
1	0.34670	0.13080	0.00000
2	0.84670	0.36920	0.00000
3	0.15330	0.63080	0.00000
4	0.65330	0.86920	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.84670	0.63080	0.50000
6	0.34670	0.86920	0.50000
7	0.65330	0.13080	0.50000
8	0.15330	0.36920	0.50000

Set of atoms in the unit cell related by symmetry with the atom Si2:

Atom	x	y	z
1	0.00000	0.26080	0.25000
2	0.50000	0.23920	0.75000
3	0.00000	0.73920	0.75000
4	0.50000	0.76080	0.25000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.50000	0.76080	0.75000
6	0.00000	0.73920	0.25000
7	0.50000	0.23920	0.25000
8	0.00000	0.26080	0.75000

Set of atoms in the unit cell related by symmetry with the atom Si3:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000
(1/2,1/2,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.75000
4	0.50000	0.50000	0.25000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.26820	0.37290	0.00000	8	0,0,m_z	0.0	0.0	7.87(4)	7.87

label	dim. small irrep	dim. full irrep	action	number of modes
mX2+	1	1	primary	1

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