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	{ 2₀₀₁ \| 0 0 1/2 }
3	x+1/2,2x-y,-z,+1	{ 2₁₁₀ \| 1/2 0 0 }
4	-x+1/2,-2x+y,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
5	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
6	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
7	-x,-2x+y,z,+1	{ m₁₁₀ \| 0 }
8	x,2x-y,z+1/2,+1	{ m₀₁₀ \| 0 0 1/2 }
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9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
11	x,2x-y,-z,-1	{ 2'₁₁₀ \| 0 }
12	-x,-2x+y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
13	-x,-y,-z,-1	{ -1' \| 0 }
14	x,y,-z+1/2,-1	{ m'₀₀₁ \| 0 0 1/2 }
15	-x+1/2,-2x+y,z,-1	{ m'₁₁₀ \| 1/2 0 0 }
16	x+1/2,2x-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 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	2₀₀₁
3	x,2x-y,-z,+1	2₁₁₀
4	-x,-2x+y,-z,+1	2₀₁₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	-x,-2x+y,z,+1	m₁₁₀
8	x,2x-y,z,+1	m₀₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	x,2x-y,-z,-1	2'₁₁₀
12	-x,-2x+y,-z,-1	2'₀₁₀
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	-x,-2x+y,z,-1	m'₁₁₀
16	x,2x-y,z,-1	m'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.16667	0.66667	0.00000	1.	8	0,m_y,m_z	0.0	0.7(1)	1.30(5)	1.48

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Te1	Te	0.00000	0.00000	0.00000	1.	4
O1_1	O	0.16355	0.00000	0.5959	1.	16
O1_2	O	0.00000	0.32710	0.5959	1.	8
Na1_1	Na	0.17475	0.00000	0.25000	0.282	8
Na1_2	Na	0.00000	0.34950	0.25000	0.282	4
Na2	Na	0.16667	0.66667	0.25000	0.186	8
Na3	Na	0.00000	0.00000	0.25000	0.12	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 Ni1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16667	0.66667	0.00000	0,m_y,m_z	0.00000	0.70000	1.30000
2	0.83333	0.33333	0.50000	0,-m_y,m_z	0.00000	-0.70000	1.30000
3	0.33333	0.33333	0.00000	0,m_y,m_z	0.00000	0.70000	1.30000
4	0.66667	0.66667	0.50000	0,-m_y,m_z	0.00000	-0.70000	1.30000
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5	0.66667	0.66667	0.00000	0,-m_y,-m_z	0.00000	-0.70000	-1.30000
6	0.33333	0.33333	0.50000	0,m_y,-m_z	0.00000	0.70000	-1.30000
7	0.83333	0.33333	0.00000	0,-m_y,-m_z	0.00000	-0.70000	-1.30000
8	0.16667	0.66667	0.50000	0,m_y,-m_z	0.00000	0.70000	-1.30000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Te1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.50000
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3	0.50000	0.00000	0.00000
4	0.50000	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom O1_1:

Atom	x	y	z
1	0.16355	0.00000	0.59590
2	0.83645	0.00000	0.09590
3	0.66355	0.32710	0.40410
4	0.33645	0.67290	0.90410
5	0.33645	0.00000	0.40410
6	0.66355	0.00000	0.90410
7	0.83645	0.67290	0.59590
8	0.16355	0.32710	0.09590
(1/2,0,0)' + set click here to show and hide
9	0.66355	0.00000	0.59590
10	0.33645	0.00000	0.09590
11	0.16355	0.32710	0.40410
12	0.83645	0.67290	0.90410
13	0.83645	0.00000	0.40410
14	0.16355	0.00000	0.90410
15	0.33645	0.67290	0.59590
16	0.66355	0.32710	0.09590

Set of atoms in the unit cell related by symmetry with the atom O1_2:

Atom	x	y	z
1	0.00000	0.32710	0.59590
2	0.00000	0.67290	0.09590
3	0.50000	0.67290	0.40410
4	0.50000	0.32710	0.90410
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5	0.50000	0.32710	0.59590
6	0.50000	0.67290	0.09590
7	0.00000	0.67290	0.40410
8	0.00000	0.32710	0.90410

Set of atoms in the unit cell related by symmetry with the atom Na1_1:

Atom	x	y	z
1	0.17475	0.00000	0.25000
2	0.82525	0.00000	0.75000
3	0.67475	0.34950	0.75000
4	0.32525	0.65050	0.25000
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5	0.67475	0.00000	0.25000
6	0.32525	0.00000	0.75000
7	0.17475	0.34950	0.75000
8	0.82525	0.65050	0.25000

Set of atoms in the unit cell related by symmetry with the atom Na1_2:

Atom	x	y	z
1	0.00000	0.34950	0.25000
2	0.00000	0.65050	0.75000
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3	0.50000	0.34950	0.25000
4	0.50000	0.65050	0.75000

Set of atoms in the unit cell related by symmetry with the atom Na2:

Atom	x	y	z
1	0.16667	0.66667	0.25000
2	0.83333	0.33333	0.75000
3	0.66667	0.66667	0.75000
4	0.33333	0.33333	0.25000
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5	0.66667	0.66667	0.25000
6	0.33333	0.33333	0.75000
7	0.16667	0.66667	0.75000
8	0.83333	0.33333	0.25000

Set of atoms in the unit cell related by symmetry with the atom Na3:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000
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3	0.50000	0.00000	0.25000
4	0.50000	0.00000	0.75000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.16667	0.66667	0.00000	8	0,m_y,m_z	0.0	0.7(1)	1.30(5)	1.48

label	dim. small irrep	dim. full irrep	action	number of modes
mM2-	1	3	primary	2

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