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+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
3	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
4	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
5	-y,z+1/2,-x+1/2,+1	{ 3^-_1-1-1 \| 0 1/2 1/2 }
6	-z+1/2,-x,y+1/2,+1	{ 3⁺_1-1-1 \| 1/2 0 1/2 }
7	-z,x+1/2,-y+1/2,+1	{ 3⁺_-1-11 \| 0 1/2 1/2 }
8	y+1/2,-z+1/2,-x,+1	{ 3^-_-1-11 \| 1/2 1/2 0 }
9	z,x,y,+1	{ 3⁺₁₁₁ \| 0 }
10	y,z,x,+1	{ 3^-₁₁₁ \| 0 }
11	z+1/2,-x+1/2,-y,+1	{ 3⁺_-11-1 \| 1/2 1/2 0 }
12	-y+1/2,-z,x+1/2,+1	{ 3^-_-11-1 \| 1/2 0 1/2 }
13	-x+1/2,-y+1/2,-z+1/2,+1	{ -1 \| 1/2 1/2 1/2 }
14	x+1/2,-y,z,+1	{ m₀₁₀ \| 1/2 0 0 }
15	-x,y,z+1/2,+1	{ m₁₀₀ \| 0 0 1/2 }
16	x,y+1/2,-z,+1	{ m₀₀₁ \| 0 1/2 0 }
17	y+1/2,-z,x,+1	{ -3^-_1-1-1 \| 1/2 0 0 }
18	z,x+1/2,-y,+1	{ -3⁺_1-1-1 \| 0 1/2 0 }
19	z+1/2,-x,y,+1	{ -3⁺_-1-11 \| 1/2 0 0 }
20	-y,z,x+1/2,+1	{ -3^-_-1-11 \| 0 0 1/2 }
21	-z+1/2,-x+1/2,-y+1/2,+1	{ -3⁺₁₁₁ \| 1/2 1/2 1/2 }
22	-y+1/2,-z+1/2,-x+1/2,+1	{ -3^-₁₁₁ \| 1/2 1/2 1/2 }
23	-z,x,y+1/2,+1	{ -3⁺_-11-1 \| 0 0 1/2 }
24	y,z+1/2,-x,+1	{ -3^-_-11-1 \| 0 1/2 0 }
(1/2,1/2,1/2)' + set click here to show and hide
25	x+1/2,y+1/2,z+1/2,-1	{ 1' \| 1/2 1/2 1/2 }
26	-x+1/2,y,-z,-1	{ 2'₀₁₀ \| 1/2 0 0 }
27	x,-y,-z+1/2,-1	{ 2'₁₀₀ \| 0 0 1/2 }
28	-x,-y+1/2,z,-1	{ 2'₀₀₁ \| 0 1/2 0 }
29	-y+1/2,z,-x,-1	{ 3'^-_1-1-1 \| 1/2 0 0 }
30	-z,-x+1/2,y,-1	{ 3'⁺_1-1-1 \| 0 1/2 0 }
31	-z+1/2,x,-y,-1	{ 3'⁺_-1-11 \| 1/2 0 0 }
32	y,-z,-x+1/2,-1	{ 3'^-_-1-11 \| 0 0 1/2 }
33	z+1/2,x+1/2,y+1/2,-1	{ 3'⁺₁₁₁ \| 1/2 1/2 1/2 }
34	y+1/2,z+1/2,x+1/2,-1	{ 3'^-₁₁₁ \| 1/2 1/2 1/2 }
35	z,-x,-y+1/2,-1	{ 3'⁺_-11-1 \| 0 0 1/2 }
36	-y,-z+1/2,x,-1	{ 3'^-_-11-1 \| 0 1/2 0 }
37	-x,-y,-z,-1	{ -1' \| 0 }
38	x,-y+1/2,z+1/2,-1	{ m'₀₁₀ \| 0 1/2 1/2 }
39	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
40	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
41	y,-z+1/2,x+1/2,-1	{ -3'^-_1-1-1 \| 0 1/2 1/2 }
42	z+1/2,x,-y+1/2,-1	{ -3'⁺_1-1-1 \| 1/2 0 1/2 }
43	z,-x+1/2,y+1/2,-1	{ -3'⁺_-1-11 \| 0 1/2 1/2 }
44	-y+1/2,z+1/2,x,-1	{ -3'^-_-1-11 \| 1/2 1/2 0 }
45	-z,-x,-y,-1	{ -3'⁺₁₁₁ \| 0 }
46	-y,-z,-x,-1	{ -3'^-₁₁₁ \| 0 }
47	-z+1/2,x+1/2,y,-1	{ -3'⁺_-11-1 \| 1/2 1/2 0 }
48	y+1/2,z,-x+1/2,-1	{ -3'^-_-11-1 \| 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	2₀₁₀
3	x,-y,-z,+1	2₁₀₀
4	-x,-y,z,+1	2₀₀₁
5	-y,z,-x,+1	3^-_1-1-1
6	-z,-x,y,+1	3⁺_1-1-1
7	-z,x,-y,+1	3⁺_-1-11
8	y,-z,-x,+1	3^-_-1-11
9	z,x,y,+1	3⁺₁₁₁
10	y,z,x,+1	3^-₁₁₁
11	z,-x,-y,+1	3⁺_-11-1
12	-y,-z,x,+1	3^-_-11-1
13	-x,-y,-z,+1	-1
14	x,-y,z,+1	m₀₁₀
15	-x,y,z,+1	m₁₀₀
16	x,y,-z,+1	m₀₀₁
17	y,-z,x,+1	-3^-_1-1-1
18	z,x,-y,+1	-3⁺_1-1-1
19	z,-x,y,+1	-3⁺_-1-11
20	-y,z,x,+1	-3^-_-1-11
21	-z,-x,-y,+1	-3⁺₁₁₁
22	-y,-z,-x,+1	-3^-₁₁₁
23	-z,x,y,+1	-3⁺_-11-1
24	y,z,-x,+1	-3^-_-11-1
1' + set click here to show and hide
25	x,y,z,-1	1'
26	-x,y,-z,-1	2'₀₁₀
27	x,-y,-z,-1	2'₁₀₀
28	-x,-y,z,-1	2'₀₀₁
29	-y,z,-x,-1	3'^-_1-1-1
30	-z,-x,y,-1	3'⁺_1-1-1
31	-z,x,-y,-1	3'⁺_-1-11
32	y,-z,-x,-1	3'^-_-1-11
33	z,x,y,-1	3'⁺₁₁₁
34	y,z,x,-1	3'^-₁₁₁
35	z,-x,-y,-1	3'⁺_-11-1
36	-y,-z,x,-1	3'^-_-11-1
37	-x,-y,-z,-1	-1'
38	x,-y,z,-1	m'₀₁₀
39	-x,y,z,-1	m'₁₀₀
40	x,y,-z,-1	m'₀₀₁
41	y,-z,x,-1	-3'^-_1-1-1
42	z,x,-y,-1	-3'⁺_1-1-1
43	z,-x,y,-1	-3'⁺_-1-11
44	-y,z,x,-1	-3'^-_-1-11
45	-z,-x,-y,-1	-3'⁺₁₁₁
46	-y,-z,-x,-1	-3'^-₁₁₁
47	-z,x,y,-1	-3'⁺_-11-1
48	y,z,-x,-1	-3'^-_-11-1

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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	0.25000	0.25000	0.25000	8	m_x,m_x,m_x	0.1	0.1	0.1	0.17
Tb2	Tb	0.9646	0.00000	0.25000	24	0,m_y,m_z	0.0	3.7	2.01	4.21

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.387	0.152	0.381	48

[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 Tb1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	m_x,m_x,m_x	0.10000	0.10000	0.10000
2	0.75000	0.75000	0.25000	-m_x,m_x,-m_x	-0.10000	0.10000	-0.10000
3	0.75000	0.25000	0.75000	m_x,-m_x,-m_x	0.10000	-0.10000	-0.10000
4	0.25000	0.75000	0.75000	-m_x,-m_x,m_x	-0.10000	-0.10000	0.10000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.75000	0.75000	0.75000	-m_x,-m_x,-m_x	-0.10000	-0.10000	-0.10000
6	0.25000	0.25000	0.75000	m_x,-m_x,m_x	0.10000	-0.10000	0.10000
7	0.25000	0.75000	0.25000	-m_x,m_x,m_x	-0.10000	0.10000	0.10000
8	0.75000	0.25000	0.25000	m_x,m_x,-m_x	0.10000	0.10000	-0.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.96460	0.00000	0.25000	0,m_y,m_z	0.00000	3.70000	2.01000
2	0.03540	0.50000	0.25000	0,m_y,-m_z	0.00000	3.70000	-2.01000
3	0.00000	0.75000	0.53540	-m_y,m_z,0	-3.70000	2.01000	0.00000
4	0.25000	0.03540	0.50000	-m_z,0,m_y	-2.01000	0.00000	3.70000
5	0.75000	0.46460	0.50000	-m_z,0,-m_y	-2.01000	0.00000	-3.70000
6	0.00000	0.25000	0.96460	m_y,m_z,0	3.70000	2.01000	0.00000
7	0.53540	0.50000	0.25000	0,m_y,m_z	0.00000	3.70000	2.01000
8	0.46460	0.00000	0.25000	0,m_y,-m_z	0.00000	3.70000	-2.01000
9	0.50000	0.75000	0.96460	-m_y,m_z,0	-3.70000	2.01000	0.00000
10	0.25000	0.46460	0.00000	-m_z,0,m_y	-2.01000	0.00000	3.70000
11	0.75000	0.03540	0.00000	-m_z,0,-m_y	-2.01000	0.00000	-3.70000
12	0.50000	0.25000	0.53540	m_y,m_z,0	3.70000	2.01000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.46460	0.50000	0.75000	0,-m_y,-m_z	0.00000	-3.70000	-2.01000
14	0.53540	0.00000	0.75000	0,-m_y,m_z	0.00000	-3.70000	2.01000
15	0.50000	0.25000	0.03540	m_y,-m_z,0	3.70000	-2.01000	0.00000
16	0.75000	0.53540	0.00000	m_z,0,-m_y	2.01000	0.00000	-3.70000
17	0.25000	0.96460	0.00000	m_z,0,m_y	2.01000	0.00000	3.70000
18	0.50000	0.75000	0.46460	-m_y,-m_z,0	-3.70000	-2.01000	0.00000
19	0.03540	0.00000	0.75000	0,-m_y,-m_z	0.00000	-3.70000	-2.01000
20	0.96460	0.50000	0.75000	0,-m_y,m_z	0.00000	-3.70000	2.01000
21	0.00000	0.25000	0.46460	m_y,-m_z,0	3.70000	-2.01000	0.00000
22	0.75000	0.96460	0.50000	m_z,0,-m_y	2.01000	0.00000	-3.70000
23	0.25000	0.53540	0.50000	m_z,0,m_y	2.01000	0.00000	3.70000
24	0.00000	0.75000	0.03540	-m_y,-m_z,0	-3.70000	-2.01000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.38700	0.15200	0.38100
2	0.61300	0.65200	0.11900
3	0.88700	0.34800	0.61900
4	0.11300	0.84800	0.88100
5	0.84800	0.88100	0.11300
6	0.11900	0.61300	0.65200
7	0.61900	0.88700	0.34800
8	0.65200	0.11900	0.61300
9	0.38100	0.38700	0.15200
10	0.15200	0.38100	0.38700
11	0.88100	0.11300	0.84800
12	0.34800	0.61900	0.88700
13	0.11300	0.34800	0.11900
14	0.88700	0.84800	0.38100
15	0.61300	0.15200	0.88100
16	0.38700	0.65200	0.61900
17	0.65200	0.61900	0.38700
18	0.38100	0.88700	0.84800
19	0.88100	0.61300	0.15200
20	0.84800	0.38100	0.88700
21	0.11900	0.11300	0.34800
22	0.34800	0.11900	0.11300
23	0.61900	0.38700	0.65200
24	0.15200	0.88100	0.61300
(1/2,1/2,1/2)' + set click here to show and hide
25	0.88700	0.65200	0.88100
26	0.11300	0.15200	0.61900
27	0.38700	0.84800	0.11900
28	0.61300	0.34800	0.38100
29	0.34800	0.38100	0.61300
30	0.61900	0.11300	0.15200
31	0.11900	0.38700	0.84800
32	0.15200	0.61900	0.11300
33	0.88100	0.88700	0.65200
34	0.65200	0.88100	0.88700
35	0.38100	0.61300	0.34800
36	0.84800	0.11900	0.38700
37	0.61300	0.84800	0.61900
38	0.38700	0.34800	0.88100
39	0.11300	0.65200	0.38100
40	0.88700	0.15200	0.11900
41	0.15200	0.11900	0.88700
42	0.88100	0.38700	0.34800
43	0.38100	0.11300	0.65200
44	0.34800	0.88100	0.38700
45	0.61900	0.61300	0.84800
46	0.84800	0.61900	0.61300
47	0.11900	0.88700	0.15200
48	0.65200	0.38100	0.11300

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Tb1	Tb	0.25000	0.25000	0.25000	8	m_x,m_x,m_x	0.1	0.1	0.1	0.17
Tb2	Tb	0.9646	0.00000	0.25000	24	0,m_y,m_z	0.0	3.7	2.01	4.21

[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 Tb1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.25000	m_x,m_x,m_x	0.10000	0.10000	0.10000
2	0.75000	0.75000	0.25000	-m_x,m_x,-m_x	-0.10000	0.10000	-0.10000
3	0.75000	0.25000	0.75000	m_x,-m_x,-m_x	0.10000	-0.10000	-0.10000
4	0.25000	0.75000	0.75000	-m_x,-m_x,m_x	-0.10000	-0.10000	0.10000
(1/2,1/2,1/2)' + set click here to show and hide
5	0.75000	0.75000	0.75000	-m_x,-m_x,-m_x	-0.10000	-0.10000	-0.10000
6	0.25000	0.25000	0.75000	m_x,-m_x,m_x	0.10000	-0.10000	0.10000
7	0.25000	0.75000	0.25000	-m_x,m_x,m_x	-0.10000	0.10000	0.10000
8	0.75000	0.25000	0.25000	m_x,m_x,-m_x	0.10000	0.10000	-0.10000

Set of atoms in the unit cell related by symmetry with the magnetic atom Tb2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.96460	0.00000	0.25000	0,m_y,m_z	0.00000	3.70000	2.01000
2	0.03540	0.50000	0.25000	0,m_y,-m_z	0.00000	3.70000	-2.01000
3	0.00000	0.75000	0.53540	-m_y,m_z,0	-3.70000	2.01000	0.00000
4	0.25000	0.03540	0.50000	-m_z,0,m_y	-2.01000	0.00000	3.70000
5	0.75000	0.46460	0.50000	-m_z,0,-m_y	-2.01000	0.00000	-3.70000
6	0.00000	0.25000	0.96460	m_y,m_z,0	3.70000	2.01000	0.00000
7	0.53540	0.50000	0.25000	0,m_y,m_z	0.00000	3.70000	2.01000
8	0.46460	0.00000	0.25000	0,m_y,-m_z	0.00000	3.70000	-2.01000
9	0.50000	0.75000	0.96460	-m_y,m_z,0	-3.70000	2.01000	0.00000
10	0.25000	0.46460	0.00000	-m_z,0,m_y	-2.01000	0.00000	3.70000
11	0.75000	0.03540	0.00000	-m_z,0,-m_y	-2.01000	0.00000	-3.70000
12	0.50000	0.25000	0.53540	m_y,m_z,0	3.70000	2.01000	0.00000
(1/2,1/2,1/2)' + set click here to show and hide
13	0.46460	0.50000	0.75000	0,-m_y,-m_z	0.00000	-3.70000	-2.01000
14	0.53540	0.00000	0.75000	0,-m_y,m_z	0.00000	-3.70000	2.01000
15	0.50000	0.25000	0.03540	m_y,-m_z,0	3.70000	-2.01000	0.00000
16	0.75000	0.53540	0.00000	m_z,0,-m_y	2.01000	0.00000	-3.70000
17	0.25000	0.96460	0.00000	m_z,0,m_y	2.01000	0.00000	3.70000
18	0.50000	0.75000	0.46460	-m_y,-m_z,0	-3.70000	-2.01000	0.00000
19	0.03540	0.00000	0.75000	0,-m_y,-m_z	0.00000	-3.70000	-2.01000
20	0.96460	0.50000	0.75000	0,-m_y,m_z	0.00000	-3.70000	2.01000
21	0.00000	0.25000	0.46460	m_y,-m_z,0	3.70000	-2.01000	0.00000
22	0.75000	0.96460	0.50000	m_z,0,-m_y	2.01000	0.00000	-3.70000
23	0.25000	0.53540	0.50000	m_z,0,m_y	2.01000	0.00000	3.70000
24	0.00000	0.75000	0.03540	-m_y,-m_z,0	-3.70000	-2.01000	0.00000

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label	dim. small irrep	dim. full irrep	action	number of modes
mH1-	1	1	primary	3

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

Tb₂O₃ (#1.798)

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

Tb2O3 (#1.798)

Tb₂O₃ (#1.798)