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+2/3,x-y+1/3,z,+1	{ 3⁺₀₀₁ \| 2/3 1/3 0 }
3	-x+y+1/3,-x+2/3,z,+1	{ 3^-₀₀₁ \| 1/3 2/3 0 }
4	x,x-y+1/3,-z+1/2,+1	{ 2₂₁₀ \| 0 1/3 1/2 }
5	-x+y+1/3,y,-z+1/2,+1	{ 2₁₂₀ \| 1/3 0 1/2 }
6	-y+2/3,-x+2/3,-z+1/2,+1	{ 2_1-10 \| 2/3 2/3 1/2 }
7	-x+2/3,-y+2/3,-z,+1	{ -1 \| 2/3 2/3 0 }
8	y,-x+y+1/3,-z,+1	{ -3⁺₀₀₁ \| 0 1/3 0 }
9	x-y+1/3,x,-z,+1	{ -3^-₀₀₁ \| 1/3 0 0 }
10	-x+2/3,-x+y+1/3,z+1/2,+1	{ m₂₁₀ \| 2/3 1/3 1/2 }
11	x-y+1/3,-y+2/3,z+1/2,+1	{ m₁₂₀ \| 1/3 2/3 1/2 }
12	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
(1/3,2/3,0) + set click here to show and hide
13	x+1/3,y+2/3,z,+1	{ 1 \| 1/3 2/3 0 }
14	-y,x-y,z,+1	{ 3⁺₀₀₁ \| 0 }
15	-x+y+2/3,-x+1/3,z,+1	{ 3^-₀₀₁ \| 2/3 1/3 0 }
16	x+1/3,x-y,-z+1/2,+1	{ 2₂₁₀ \| 1/3 0 1/2 }
17	-x+y+2/3,y+2/3,-z+1/2,+1	{ 2₁₂₀ \| 2/3 2/3 1/2 }
18	-y,-x+1/3,-z+1/2,+1	{ 2_1-10 \| 0 1/3 1/2 }
19	-x,-y+1/3,-z,+1	{ -1 \| 0 1/3 0 }
20	y+1/3,-x+y,-z,+1	{ -3⁺₀₀₁ \| 1/3 0 0 }
21	x-y+2/3,x+2/3,-z,+1	{ -3^-₀₀₁ \| 2/3 2/3 0 }
22	-x,-x+y,z+1/2,+1	{ m₂₁₀ \| 0 0 1/2 }
23	x-y+2/3,-y+1/3,z+1/2,+1	{ m₁₂₀ \| 2/3 1/3 1/2 }
24	y+1/3,x+2/3,z+1/2,+1	{ m_1-10 \| 1/3 2/3 1/2 }
(2/3,1/3,0) + set click here to show and hide
25	x+2/3,y+1/3,z,+1	{ 1 \| 2/3 1/3 0 }
26	-y+1/3,x-y+2/3,z,+1	{ 3⁺₀₀₁ \| 1/3 2/3 0 }
27	-x+y,-x,z,+1	{ 3^-₀₀₁ \| 0 }
28	x+2/3,x-y+2/3,-z+1/2,+1	{ 2₂₁₀ \| 2/3 2/3 1/2 }
29	-x+y,y+1/3,-z+1/2,+1	{ 2₁₂₀ \| 0 1/3 1/2 }
30	-y+1/3,-x,-z+1/2,+1	{ 2_1-10 \| 1/3 0 1/2 }
31	-x+1/3,-y,-z,+1	{ -1 \| 1/3 0 0 }
32	y+2/3,-x+y+2/3,-z,+1	{ -3⁺₀₀₁ \| 2/3 2/3 0 }
33	x-y,x+1/3,-z,+1	{ -3^-₀₀₁ \| 0 1/3 0 }
34	-x+1/3,-x+y+2/3,z+1/2,+1	{ m₂₁₀ \| 1/3 2/3 1/2 }
35	x-y,-y,z+1/2,+1	{ m₁₂₀ \| 0 0 1/2 }
36	y+2/3,x+1/3,z+1/2,+1	{ m_1-10 \| 2/3 1/3 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	-y,x-y,z,+1	3⁺₀₀₁
3	-x+y,-x,z,+1	3^-₀₀₁
4	x,x-y,-z,+1	2₂₁₀
5	-x+y,y,-z,+1	2₁₂₀
6	-y,-x,-z,+1	2_1-10
7	-x,-y,-z,+1	-1
8	y,-x+y,-z,+1	-3⁺₀₀₁
9	x-y,x,-z,+1	-3^-₀₀₁
10	-x,-x+y,z,+1	m₂₁₀
11	x-y,-y,z,+1	m₁₂₀
12	y,x,z,+1	m_1-10

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.22222	0.11111	0.25000	18	m_x,2m_x,0	0.68(2)	1.36	0.0	1.18

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Li1	Li	0.11111	0.22222	0.05680	36
Te1_1	Te	0.00000	0.00000	0.25000	12
Te1_2	Te	0.00000	0.66667	0.25000	6
O1_1	O	0.01523	0.23323	0.63640	36
O1_2	O	0.76677	0.98477	0.86360	36
O1_3	O	0.01523	0.89990	0.63640	36

[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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.22222	0.11111	0.25000	m_x,2m_x,0	0.68000	1.36000	0.00000
2	0.55556	0.44444	0.25000	-2m_x,-m_x,0	-1.36000	-0.68000	0.00000
3	0.22222	0.44445	0.25000	m_x,-m_x,0	0.68000	-0.68000	0.00000
4	0.44445	0.55556	0.75000	m_x,2m_x,0	0.68000	1.36000	0.00000
5	0.11111	0.22222	0.75000	-2m_x,-m_x,0	-1.36000	-0.68000	0.00000
6	0.44444	0.22222	0.75000	m_x,-m_x,0	0.68000	-0.68000	0.00000
(1/3,2/3,0) + set click here to show and hide
7	0.55555	0.77778	0.25000	m_x,2m_x,0	0.68000	1.36000	0.00000
8	0.88889	0.11111	0.25000	-2m_x,-m_x,0	-1.36000	-0.68000	0.00000
9	0.55556	0.11111	0.25000	m_x,-m_x,0	0.68000	-0.68000	0.00000
10	0.77778	0.22222	0.75000	m_x,2m_x,0	0.68000	1.36000	0.00000
11	0.44444	0.88889	0.75000	-2m_x,-m_x,0	-1.36000	-0.68000	0.00000
12	0.77778	0.88889	0.75000	m_x,-m_x,0	0.68000	-0.68000	0.00000
(2/3,1/3,0) + set click here to show and hide
13	0.88889	0.44444	0.25000	m_x,2m_x,0	0.68000	1.36000	0.00000
14	0.22222	0.77778	0.25000	-2m_x,-m_x,0	-1.36000	-0.68000	0.00000
15	0.88889	0.77778	0.25000	m_x,-m_x,0	0.68000	-0.68000	0.00000
16	0.11111	0.88889	0.75000	m_x,2m_x,0	0.68000	1.36000	0.00000
17	0.77778	0.55556	0.75000	-2m_x,-m_x,0	-1.36000	-0.68000	0.00000
18	0.11111	0.55555	0.75000	m_x,-m_x,0	0.68000	-0.68000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Li1:

Atom	x	y	z
1	0.11111	0.22222	0.05680
2	0.44445	0.22222	0.05680
3	0.44444	0.55556	0.05680
4	0.11111	0.22222	0.44320
5	0.44444	0.22222	0.44320
6	0.44445	0.55556	0.44320
7	0.55556	0.44445	0.94320
8	0.22222	0.44444	0.94320
9	0.22222	0.11111	0.94320
10	0.55556	0.44444	0.55680
11	0.22222	0.44445	0.55680
12	0.22222	0.11111	0.55680
(1/3,2/3,0) + set click here to show and hide
13	0.44444	0.88889	0.05680
14	0.77778	0.88889	0.05680
15	0.77778	0.22222	0.05680
16	0.44444	0.88889	0.44320
17	0.77778	0.88889	0.44320
18	0.77778	0.22222	0.44320
19	0.88889	0.11111	0.94320
20	0.55555	0.11111	0.94320
21	0.55556	0.77778	0.94320
22	0.88889	0.11111	0.55680
23	0.55556	0.11111	0.55680
24	0.55555	0.77778	0.55680
(2/3,1/3,0) + set click here to show and hide
25	0.77778	0.55555	0.05680
26	0.11111	0.55556	0.05680
27	0.11111	0.88889	0.05680
28	0.77778	0.55556	0.44320
29	0.11111	0.55555	0.44320
30	0.11111	0.88889	0.44320
31	0.22222	0.77778	0.94320
32	0.88889	0.77778	0.94320
33	0.88889	0.44444	0.94320
34	0.22222	0.77778	0.55680
35	0.88889	0.77778	0.55680
36	0.88889	0.44444	0.55680

Set of atoms in the unit cell related by symmetry with the atom Te1_1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.33333	0.25000
3	0.66667	0.66667	0.75000
4	0.66667	0.33333	0.75000
(1/3,2/3,0) + set click here to show and hide
5	0.33333	0.66667	0.25000
6	0.33333	0.00000	0.25000
7	0.00000	0.33333	0.75000
8	0.00000	0.00000	0.75000
(2/3,1/3,0) + set click here to show and hide
9	0.66667	0.33333	0.25000
10	0.66667	0.66667	0.25000
11	0.33333	0.00000	0.75000
12	0.33333	0.66667	0.75000

Set of atoms in the unit cell related by symmetry with the atom Te1_2:

Atom	x	y	z
1	0.00000	0.66667	0.25000
2	0.66667	0.00000	0.75000
(1/3,2/3,0) + set click here to show and hide
3	0.33333	0.33334	0.25000
4	0.00000	0.66667	0.75000
(2/3,1/3,0) + set click here to show and hide
5	0.66667	0.00000	0.25000
6	0.33333	0.33333	0.75000

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

Atom	x	y	z
1	0.01523	0.23323	0.63640
2	0.43344	0.11533	0.63640
3	0.55133	0.65144	0.63640
4	0.01523	0.11533	0.86360
5	0.55133	0.23323	0.86360
6	0.43344	0.65144	0.86360
7	0.65144	0.43344	0.36360
8	0.23323	0.55133	0.36360
9	0.11533	0.01523	0.36360
10	0.65144	0.55133	0.13640
11	0.11533	0.43344	0.13640
12	0.23323	0.01523	0.13640
(1/3,2/3,0) + set click here to show and hide
13	0.34856	0.89990	0.63640
14	0.76677	0.78200	0.63640
15	0.88467	0.31810	0.63640
16	0.34856	0.78200	0.86360
17	0.88467	0.89990	0.86360
18	0.76677	0.31810	0.86360
19	0.98477	0.10010	0.36360
20	0.56656	0.21800	0.36360
21	0.44867	0.68190	0.36360
22	0.98477	0.21800	0.13640
23	0.44867	0.10010	0.13640
24	0.56656	0.68190	0.13640
(2/3,1/3,0) + set click here to show and hide
25	0.68190	0.56656	0.63640
26	0.10010	0.44867	0.63640
27	0.21800	0.98477	0.63640
28	0.68190	0.44867	0.86360
29	0.21800	0.56656	0.86360
30	0.10010	0.98477	0.86360
31	0.31810	0.76677	0.36360
32	0.89990	0.88467	0.36360
33	0.78200	0.34856	0.36360
34	0.31810	0.88467	0.13640
35	0.78200	0.76677	0.13640
36	0.89990	0.34856	0.13640

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

Atom	x	y	z
1	0.76677	0.98477	0.86360
2	0.68190	0.11533	0.86360
3	0.55133	0.89990	0.86360
4	0.76677	0.11533	0.63640
5	0.55133	0.98477	0.63640
6	0.68190	0.89990	0.63640
7	0.89990	0.68190	0.13640
8	0.98477	0.55133	0.13640
9	0.11533	0.76677	0.13640
10	0.89990	0.55133	0.36360
11	0.11533	0.68190	0.36360
12	0.98477	0.76677	0.36360
(1/3,2/3,0) + set click here to show and hide
13	0.10010	0.65144	0.86360
14	0.01523	0.78200	0.86360
15	0.88467	0.56656	0.86360
16	0.10010	0.78200	0.63640
17	0.88467	0.65144	0.63640
18	0.01523	0.56656	0.63640
19	0.23323	0.34856	0.13640
20	0.31810	0.21800	0.13640
21	0.44867	0.43344	0.13640
22	0.23323	0.21800	0.36360
23	0.44867	0.34856	0.36360
24	0.31810	0.43344	0.36360
(2/3,1/3,0) + set click here to show and hide
25	0.43344	0.31810	0.86360
26	0.34856	0.44867	0.86360
27	0.21800	0.23323	0.86360
28	0.43344	0.44867	0.63640
29	0.21800	0.31810	0.63640
30	0.34856	0.23323	0.63640
31	0.56656	0.01523	0.13640
32	0.65144	0.88467	0.13640
33	0.78200	0.10010	0.13640
34	0.56656	0.88467	0.36360
35	0.78200	0.01523	0.36360
36	0.65144	0.10010	0.36360

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.01523	0.89990	0.63640
2	0.76677	0.44866	0.63640
3	0.21800	0.65144	0.63640
4	0.01523	0.44866	0.86360
5	0.21800	0.89990	0.86360
6	0.76677	0.65144	0.86360
7	0.65144	0.76677	0.36360
8	0.89990	0.21800	0.36360
9	0.44866	0.01523	0.36360
10	0.65144	0.21800	0.13640
11	0.44866	0.76677	0.13640
12	0.89990	0.01523	0.13640
(1/3,2/3,0) + set click here to show and hide
13	0.34856	0.56657	0.63640
14	0.10010	0.11533	0.63640
15	0.55134	0.31810	0.63640
16	0.34856	0.11533	0.86360
17	0.55134	0.56657	0.86360
18	0.10010	0.31810	0.86360
19	0.98477	0.43343	0.36360
20	0.23323	0.88467	0.36360
21	0.78200	0.68190	0.36360
22	0.98477	0.88467	0.13640
23	0.78200	0.43343	0.13640
24	0.23323	0.68190	0.13640
(2/3,1/3,0) + set click here to show and hide
25	0.68190	0.23323	0.63640
26	0.43343	0.78200	0.63640
27	0.88467	0.98477	0.63640
28	0.68190	0.78200	0.86360
29	0.88467	0.23323	0.86360
30	0.43343	0.98477	0.86360
31	0.31810	0.10010	0.36360
32	0.56657	0.55134	0.36360
33	0.11533	0.34856	0.36360
34	0.31810	0.55134	0.13640
35	0.11533	0.10010	0.13640
36	0.56657	0.34856	0.13640

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.22222	0.11111	0.25000	18	m_x,2m_x,0	0.68(2)	1.36	0.0	1.18

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

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mK1	2	1	special	primary	1

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

Li₂MnTeO₆ (#1.0.27)

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

Li2MnTeO6 (#1.0.27)

Li₂MnTeO₆ (#1.0.27)