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-2y+2/3,-y+1/6,-z+1/3,+1	{ 2₁₀₀ \| 2/3 1/6 1/3 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	-x+2y+2/3,y+1/6,z+1/3,+1	{ m₁₀₀ \| 2/3 1/6 1/3 }
(1/3,1/3,2/3) + set click here to show and hide
5	x+1/3,y+1/3,z+2/3,+1	{ 1 \| 1/3 1/3 2/3 }
6	x-2y,-y+1/2,-z,+1	{ 2₁₀₀ \| 0 1/2 0 }
7	-x+1/3,-y+1/3,-z+2/3,+1	{ -1 \| 1/3 1/3 2/3 }
8	-x+2y,y+1/2,z,+1	{ m₁₀₀ \| 0 1/2 0 }
(2/3,2/3,1/3) + set click here to show and hide
9	x+2/3,y+2/3,z+1/3,+1	{ 1 \| 2/3 2/3 1/3 }
10	x-2y+1/3,-y+5/6,-z+2/3,+1	{ 2₁₀₀ \| 1/3 5/6 2/3 }
11	-x+2/3,-y+2/3,-z+1/3,+1	{ -1 \| 2/3 2/3 1/3 }
12	-x+2y+1/3,y+5/6,z+2/3,+1	{ m₁₀₀ \| 1/3 5/6 2/3 }
(2/3,1/6,1/3)' + set click here to show and hide
13	x+2/3,y+1/6,z+1/3,-1	{ 1' \| 2/3 1/6 1/3 }
14	x-2y+1/3,-y+1/3,-z+2/3,-1	{ 2'₁₀₀ \| 1/3 1/3 2/3 }
15	-x+2/3,-y+1/6,-z+1/3,-1	{ -1' \| 2/3 1/6 1/3 }
16	-x+2y+1/3,y+1/3,z+2/3,-1	{ m'₁₀₀ \| 1/3 1/3 2/3 }
(0,1/2,0)' + set click here to show and hide
17	x,y+1/2,z,-1	{ 1' \| 0 1/2 0 }
18	x-2y+2/3,-y+2/3,-z+1/3,-1	{ 2'₁₀₀ \| 2/3 2/3 1/3 }
19	-x,-y+1/2,-z,-1	{ -1' \| 0 1/2 0 }
20	-x+2y+2/3,y+2/3,z+1/3,-1	{ m'₁₀₀ \| 2/3 2/3 1/3 }
(1/3,5/6,2/3)' + set click here to show and hide
21	x+1/3,y+5/6,z+2/3,-1	{ 1' \| 1/3 5/6 2/3 }
22	x-2y,-y,-z,-1	{ 2'₁₀₀ \| 0 }
23	-x+1/3,-y+5/6,-z+2/3,-1	{ -1' \| 1/3 5/6 2/3 }
24	-x+2y,y,z,-1	{ m'₁₀₀ \| 0 }

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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-2y,-y,-z,+1	2₁₀₀
3	-x,-y,-z,+1	-1
4	-x+2y,y,z,+1	m₁₀₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	x-2y,-y,-z,-1	2'₁₀₀
7	-x,-y,-z,-1	-1'
8	-x+2y,y,z,-1	m'₁₀₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.00000	0.40640	12	m_x,2m_x,m_z	0.0	0.0	1.88(6)	1.88

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.00000	0.00000	0.12570	12
Ba2	Ba	0.00000	0.00000	0.28400	12
Te1	Te	0.00000	0.00000	0.00000	6
Te2	Te	0.00000	0.00000	0.50000	6
O1_1	O	0.15080	0.42460	0.45890	24
O1_2	O	0.15080	0.15080	0.45890	12
O2_1	O	0.17710	0.41145	0.62770	24
O2_2	O	0.17710	0.17710	0.62770	12

[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	0.40640	m_x,2m_x,m_z	0.00000	0.00000	1.88000
2	0.66667	0.16667	0.92693	-m_x,-2m_x,-m_z	0.00000	0.00000	-1.88000
(1/3,1/3,2/3) + set click here to show and hide
3	0.33333	0.33333	0.07307	m_x,2m_x,m_z	0.00000	0.00000	1.88000
4	0.00000	0.50000	0.59360	-m_x,-2m_x,-m_z	0.00000	0.00000	-1.88000
(2/3,2/3,1/3) + set click here to show and hide
5	0.66667	0.66667	0.73973	m_x,2m_x,m_z	0.00000	0.00000	1.88000
6	0.33333	0.83333	0.26027	-m_x,-2m_x,-m_z	0.00000	0.00000	-1.88000
(2/3,1/6,1/3)' + set click here to show and hide
7	0.66667	0.16667	0.73973	-m_x,-2m_x,-m_z	0.00000	0.00000	-1.88000
8	0.33333	0.33333	0.26027	m_x,2m_x,m_z	0.00000	0.00000	1.88000
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.40640	-m_x,-2m_x,-m_z	0.00000	0.00000	-1.88000
10	0.66667	0.66667	0.92693	m_x,2m_x,m_z	0.00000	0.00000	1.88000
(1/3,5/6,2/3)' + set click here to show and hide
11	0.33333	0.83333	0.07307	-m_x,-2m_x,-m_z	0.00000	0.00000	-1.88000
12	0.00000	0.00000	0.59360	m_x,2m_x,m_z	0.00000	0.00000	1.88000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.00000	0.00000	0.12570
2	0.66667	0.16667	0.20763
(1/3,1/3,2/3) + set click here to show and hide
3	0.33333	0.33333	0.79237
4	0.00000	0.50000	0.87430
(2/3,2/3,1/3) + set click here to show and hide
5	0.66667	0.66667	0.45903
6	0.33333	0.83333	0.54097
(2/3,1/6,1/3)' + set click here to show and hide
7	0.66667	0.16667	0.45903
8	0.33333	0.33333	0.54097
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.12570
10	0.66667	0.66667	0.20763
(1/3,5/6,2/3)' + set click here to show and hide
11	0.33333	0.83333	0.79237
12	0.00000	0.00000	0.87430

Set of atoms in the unit cell related by symmetry with the atom Ba2:

Atom	x	y	z
1	0.00000	0.00000	0.28400
2	0.66667	0.16667	0.04933
(1/3,1/3,2/3) + set click here to show and hide
3	0.33333	0.33333	0.95067
4	0.00000	0.50000	0.71600
(2/3,2/3,1/3) + set click here to show and hide
5	0.66667	0.66667	0.61733
6	0.33333	0.83333	0.38267
(2/3,1/6,1/3)' + set click here to show and hide
7	0.66667	0.16667	0.61733
8	0.33333	0.33333	0.38267
(0,1/2,0)' + set click here to show and hide
9	0.00000	0.50000	0.28400
10	0.66667	0.66667	0.04933
(1/3,5/6,2/3)' + set click here to show and hide
11	0.33333	0.83333	0.95067
12	0.00000	0.00000	0.71600

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
(1/3,1/3,2/3) + set click here to show and hide
2	0.33333	0.33333	0.66667
(2/3,2/3,1/3) + set click here to show and hide
3	0.66667	0.66667	0.33333
(2/3,1/6,1/3)' + set click here to show and hide
4	0.66667	0.16667	0.33333
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.00000
(1/3,5/6,2/3)' + set click here to show and hide
6	0.33333	0.83333	0.66667

Set of atoms in the unit cell related by symmetry with the atom Te2:

Atom	x	y	z
1	0.00000	0.00000	0.50000
(1/3,1/3,2/3) + set click here to show and hide
2	0.33333	0.33333	0.16667
(2/3,2/3,1/3) + set click here to show and hide
3	0.66667	0.66667	0.83333
(2/3,1/6,1/3)' + set click here to show and hide
4	0.66667	0.16667	0.83333
(0,1/2,0)' + set click here to show and hide
5	0.00000	0.50000	0.50000
(1/3,5/6,2/3)' + set click here to show and hide
6	0.33333	0.83333	0.16667

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

Atom	x	y	z
1	0.15080	0.42460	0.45890
2	0.96827	0.74207	0.87443
3	0.84920	0.57540	0.54110
4	0.36507	0.59127	0.79223
(1/3,1/3,2/3) + set click here to show and hide
5	0.48413	0.75793	0.12557
6	0.30160	0.07540	0.54110
7	0.18253	0.90873	0.20777
8	0.69840	0.92460	0.45890
(2/3,2/3,1/3) + set click here to show and hide
9	0.81747	0.09127	0.79223
10	0.63493	0.40873	0.20777
11	0.51587	0.24207	0.87443
12	0.03173	0.25793	0.12557
(2/3,1/6,1/3)' + set click here to show and hide
13	0.81747	0.59127	0.79223
14	0.63493	0.90873	0.20777
15	0.51587	0.74207	0.87443
16	0.03173	0.75793	0.12557
(0,1/2,0)' + set click here to show and hide
17	0.15080	0.92460	0.45890
18	0.96827	0.24207	0.87443
19	0.84920	0.07540	0.54110
20	0.36507	0.09127	0.79223
(1/3,5/6,2/3)' + set click here to show and hide
21	0.48413	0.25793	0.12557
22	0.30160	0.57540	0.54110
23	0.18253	0.40873	0.20777
24	0.69840	0.42460	0.45890

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

Atom	x	y	z
1	0.15080	0.15080	0.45890
2	0.51587	0.01587	0.87443
(1/3,1/3,2/3) + set click here to show and hide
3	0.48413	0.48413	0.12557
4	0.84920	0.34920	0.54110
(2/3,2/3,1/3) + set click here to show and hide
5	0.81747	0.81747	0.79223
6	0.18253	0.68253	0.20777
(2/3,1/6,1/3)' + set click here to show and hide
7	0.81747	0.31747	0.79223
8	0.18253	0.18253	0.20777
(0,1/2,0)' + set click here to show and hide
9	0.15080	0.65080	0.45890
10	0.51587	0.51587	0.87443
(1/3,5/6,2/3)' + set click here to show and hide
11	0.48413	0.98413	0.12557
12	0.84920	0.84920	0.54110

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.17710	0.41145	0.62770
2	0.02087	0.75522	0.70563
3	0.82290	0.58855	0.37230
4	0.31247	0.57812	0.96103
(1/3,1/3,2/3) + set click here to show and hide
5	0.51043	0.74478	0.29437
6	0.35420	0.08855	0.37230
7	0.15623	0.92188	0.03897
8	0.64580	0.91145	0.62770
(2/3,2/3,1/3) + set click here to show and hide
9	0.84377	0.07812	0.96103
10	0.68753	0.42188	0.03897
11	0.48957	0.25522	0.70563
12	0.97913	0.24478	0.29437
(2/3,1/6,1/3)' + set click here to show and hide
13	0.84377	0.57812	0.96103
14	0.68753	0.92188	0.03897
15	0.48957	0.75522	0.70563
16	0.97913	0.74478	0.29437
(0,1/2,0)' + set click here to show and hide
17	0.17710	0.91145	0.62770
18	0.02087	0.25522	0.70563
19	0.82290	0.08855	0.37230
20	0.31247	0.07812	0.96103
(1/3,5/6,2/3)' + set click here to show and hide
21	0.51043	0.24478	0.29437
22	0.35420	0.58855	0.37230
23	0.15623	0.42188	0.03897
24	0.64580	0.41145	0.62770

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.17710	0.17710	0.62770
2	0.48957	0.98957	0.70563
(1/3,1/3,2/3) + set click here to show and hide
3	0.51043	0.51043	0.29437
4	0.82290	0.32290	0.37230
(2/3,2/3,1/3) + set click here to show and hide
5	0.84377	0.84377	0.96103
6	0.15623	0.65623	0.03897
(2/3,1/6,1/3)' + set click here to show and hide
7	0.84377	0.34377	0.96103
8	0.15623	0.15623	0.03897
(0,1/2,0)' + set click here to show and hide
9	0.17710	0.67710	0.62770
10	0.48957	0.48957	0.70563
(1/3,5/6,2/3)' + set click here to show and hide
11	0.51043	0.01043	0.29437
12	0.82290	0.82290	0.37230

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ni1	Ni	0.00000	0.00000	0.40640	12	m_x,2m_x,m_z	0.0	0.0	1.88(6)	1.88

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

label	dim. small irrep	dim. full irrep	action	number of modes
mF2+	1	3	primary	2

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

Ba₂NiTeO₆ (#1.724)

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

Ba2NiTeO6 (#1.724)

Ba₂NiTeO₆ (#1.724)