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-y,z,+1	{ 3⁺₀₀₁ \| 0 }
3	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
(1/3,2/3,1/3) + set click here to show and hide
4	x+1/3,y+2/3,z+1/3,+1	{ 1 \| 1/3 2/3 1/3 }
5	-y+1/3,x-y+2/3,z+1/3,+1	{ 3⁺₀₀₁ \| 1/3 2/3 1/3 }
6	-x+y+1/3,-x+2/3,z+1/3,+1	{ 3^-₀₀₁ \| 1/3 2/3 1/3 }
(2/3,1/3,2/3) + set click here to show and hide
7	x+2/3,y+1/3,z+2/3,+1	{ 1 \| 2/3 1/3 2/3 }
8	-y+2/3,x-y+1/3,z+2/3,+1	{ 3⁺₀₀₁ \| 2/3 1/3 2/3 }
9	-x+y+2/3,-x+1/3,z+2/3,+1	{ 3^-₀₀₁ \| 2/3 1/3 2/3 }
(0,0,1/2)' + set click here to show and hide
10	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
11	-y,x-y,z+1/2,-1	{ 3'⁺₀₀₁ \| 0 0 1/2 }
12	-x+y,-x,z+1/2,-1	{ 3'^-₀₀₁ \| 0 0 1/2 }
(1/3,2/3,5/6)' + set click here to show and hide
13	x+1/3,y+2/3,z+5/6,-1	{ 1' \| 1/3 2/3 5/6 }
14	-y+1/3,x-y+2/3,z+5/6,-1	{ 3'⁺₀₀₁ \| 1/3 2/3 5/6 }
15	-x+y+1/3,-x+2/3,z+5/6,-1	{ 3'^-₀₀₁ \| 1/3 2/3 5/6 }
(2/3,1/3,1/6)' + set click here to show and hide
16	x+2/3,y+1/3,z+1/6,-1	{ 1' \| 2/3 1/3 1/6 }
17	-y+2/3,x-y+1/3,z+1/6,-1	{ 3'⁺₀₀₁ \| 2/3 1/3 1/6 }
18	-x+y+2/3,-x+1/3,z+1/6,-1	{ 3'^-₀₀₁ \| 2/3 1/3 1/6 }

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
1' + set click here to show and hide
4	x,y,z,-1	1'
5	-y,x-y,z,-1	3'⁺₀₀₁
6	-x+y,-x,z,-1	3'^-₀₀₁

Magnetic atoms:

Label	Atom type	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Ni1	Ni	0.25329	6	0,0,m_z	-2.03(2)	2.03
Ni2	Ni	0.10720	6	0,0,m_z	2.03	2.03
Ni3	Ni	0.00634	6	0,0,m_z	2.03	2.03

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Te1	Te	0.00000	0.00000	0.35425	6
O1	O	0.62980	0.66990	0.14225	18
O2	O	0.99300	0.63470	0.22265	18

[Show all atoms in unit cell and their moment relations]

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	0.00000	0.00000	0.25329	0,0,m_z	0.00000	0.00000	-2.03000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.58662	0,0,m_z	0.00000	0.00000	-2.03000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.91996	0,0,m_z	0.00000	0.00000	-2.03000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.75329	0,0,-m_z	0.00000	0.00000	2.03000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.08662	0,0,-m_z	0.00000	0.00000	2.03000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.41996	0,0,-m_z	0.00000	0.00000	2.03000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.10720	0,0,m_z	0.00000	0.00000	2.03000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.44053	0,0,m_z	0.00000	0.00000	2.03000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.77387	0,0,m_z	0.00000	0.00000	2.03000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.60720	0,0,-m_z	0.00000	0.00000	-2.03000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.94053	0,0,-m_z	0.00000	0.00000	-2.03000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.27387	0,0,-m_z	0.00000	0.00000	-2.03000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00634	0,0,m_z	0.00000	0.00000	2.03000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33967	0,0,m_z	0.00000	0.00000	2.03000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.67301	0,0,m_z	0.00000	0.00000	2.03000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50634	0,0,-m_z	0.00000	0.00000	-2.03000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.83967	0,0,-m_z	0.00000	0.00000	-2.03000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.17301	0,0,-m_z	0.00000	0.00000	-2.03000

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	0.35425
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.68758
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.02092
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.85425
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.18758
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.52092

Set of atoms in the unit cell related by symmetry with the atom O1:

Atom	x	y	z
1	0.62980	0.66990	0.14225
2	0.33010	0.95990	0.14225
3	0.04010	0.37020	0.14225
(1/3,2/3,1/3) + set click here to show and hide
4	0.96313	0.33657	0.47558
5	0.66343	0.62657	0.47558
6	0.37343	0.03687	0.47558
(2/3,1/3,2/3) + set click here to show and hide
7	0.29647	0.00323	0.80892
8	0.99677	0.29323	0.80892
9	0.70677	0.70353	0.80892
(0,0,1/2)' + set click here to show and hide
10	0.62980	0.66990	0.64225
11	0.33010	0.95990	0.64225
12	0.04010	0.37020	0.64225
(1/3,2/3,5/6)' + set click here to show and hide
13	0.96313	0.33657	0.97558
14	0.66343	0.62657	0.97558
15	0.37343	0.03687	0.97558
(2/3,1/3,1/6)' + set click here to show and hide
16	0.29647	0.00323	0.30892
17	0.99677	0.29323	0.30892
18	0.70677	0.70353	0.30892

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.99300	0.63470	0.22265
2	0.36530	0.35830	0.22265
3	0.64170	0.00700	0.22265
(1/3,2/3,1/3) + set click here to show and hide
4	0.32633	0.30137	0.55598
5	0.69863	0.02497	0.55598
6	0.97503	0.67367	0.55598
(2/3,1/3,2/3) + set click here to show and hide
7	0.65967	0.96803	0.88932
8	0.03197	0.69163	0.88932
9	0.30837	0.34033	0.88932
(0,0,1/2)' + set click here to show and hide
10	0.99300	0.63470	0.72265
11	0.36530	0.35830	0.72265
12	0.64170	0.00700	0.72265
(1/3,2/3,5/6)' + set click here to show and hide
13	0.32633	0.30137	0.05598
14	0.69863	0.02497	0.05598
15	0.97503	0.67367	0.05598
(2/3,1/3,1/6)' + set click here to show and hide
16	0.65967	0.96803	0.38932
17	0.03197	0.69163	0.38932
18	0.30837	0.34033	0.38932

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Label	Atom type	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Ni1	Ni	0.25329	6	0,0,m_z	-2.03(2)	2.03
Ni2	Ni	0.10720	6	0,0,m_z	2.03	2.03
Ni3	Ni	0.00634	6	0,0,m_z	2.03	2.03

[Show all magnetic atoms in unit cell and their moment relations]

Positions and magnetic moments of all atoms in unit cell, with magnetic moment relations explicitly given:

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	0.00000	0.00000	0.25329	0,0,m_z	0.00000	0.00000	-2.03000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.58662	0,0,m_z	0.00000	0.00000	-2.03000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.91996	0,0,m_z	0.00000	0.00000	-2.03000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.75329	0,0,-m_z	0.00000	0.00000	2.03000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.08662	0,0,-m_z	0.00000	0.00000	2.03000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.41996	0,0,-m_z	0.00000	0.00000	2.03000

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

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.10720	0,0,m_z	0.00000	0.00000	2.03000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.44053	0,0,m_z	0.00000	0.00000	2.03000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.77387	0,0,m_z	0.00000	0.00000	2.03000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.60720	0,0,-m_z	0.00000	0.00000	-2.03000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.94053	0,0,-m_z	0.00000	0.00000	-2.03000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.27387	0,0,-m_z	0.00000	0.00000	-2.03000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ni3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00634	0,0,m_z	0.00000	0.00000	2.03000
(1/3,2/3,1/3) + set click here to show and hide
2	0.33333	0.66667	0.33967	0,0,m_z	0.00000	0.00000	2.03000
(2/3,1/3,2/3) + set click here to show and hide
3	0.66667	0.33333	0.67301	0,0,m_z	0.00000	0.00000	2.03000
(0,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50634	0,0,-m_z	0.00000	0.00000	-2.03000
(1/3,2/3,5/6)' + set click here to show and hide
5	0.33333	0.66667	0.83967	0,0,-m_z	0.00000	0.00000	-2.03000
(2/3,1/3,1/6)' + set click here to show and hide
6	0.66667	0.33333	0.17301	0,0,-m_z	0.00000	0.00000	-2.03000

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label	dim. small irrep	dim. full irrep	action	number of modes
mT1	1	1	primary	3

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

Ni₃TeO₆ (#1.165)

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

Ni3TeO6 (#1.165)

Ni₃TeO₆ (#1.165)