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

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.25000	0.25000	0.25000	8	m_x,m_x,m_x	3.5	3.5	3.5	6.06
Er2	Er	0.96460	0.00000	0.25000	24	m_x,0,0	5.36(8)	0.0	0.0	5.36

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1	O	0.39100	0.15200	0.37900	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 Er1:

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	3.50000	3.50000	3.50000
2	0.25000	0.75000	0.25000	m_x,-m_x,-m_x	3.50000	-3.50000	-3.50000
3	0.25000	0.25000	0.75000	-m_x,m_x,-m_x	-3.50000	3.50000	-3.50000
4	0.75000	0.25000	0.25000	-m_x,-m_x,m_x	-3.50000	-3.50000	3.50000
(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	3.50000	3.50000	3.50000
6	0.75000	0.25000	0.75000	m_x,-m_x,-m_x	3.50000	-3.50000	-3.50000
7	0.75000	0.75000	0.25000	-m_x,m_x,-m_x	-3.50000	3.50000	-3.50000
8	0.25000	0.75000	0.75000	-m_x,-m_x,m_x	-3.50000	-3.50000	3.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Er2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.96460	0.00000	0.25000	m_x,0,0	5.36000	0.00000	0.00000
2	0.53540	0.00000	0.75000	-m_x,0,0	-5.36000	0.00000	0.00000
3	0.25000	0.96460	0.00000	0,m_x,0	0.00000	5.36000	0.00000
4	0.00000	0.25000	0.96460	0,0,m_x	0.00000	0.00000	5.36000
5	0.50000	0.25000	0.03540	0,0,-m_x	0.00000	0.00000	-5.36000
6	0.75000	0.53540	0.00000	0,-m_x,0	0.00000	-5.36000	0.00000
7	0.03540	0.00000	0.75000	m_x,0,0	5.36000	0.00000	0.00000
8	0.46460	0.00000	0.25000	-m_x,0,0	-5.36000	0.00000	0.00000
9	0.75000	0.03540	0.00000	0,m_x,0	0.00000	5.36000	0.00000
10	0.00000	0.75000	0.03540	0,0,m_x	0.00000	0.00000	5.36000
11	0.50000	0.75000	0.96460	0,0,-m_x	0.00000	0.00000	-5.36000
12	0.25000	0.46460	0.00000	0,-m_x,0	0.00000	-5.36000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
13	0.46460	0.50000	0.75000	m_x,0,0	5.36000	0.00000	0.00000
14	0.03540	0.50000	0.25000	-m_x,0,0	-5.36000	0.00000	0.00000
15	0.75000	0.46460	0.50000	0,m_x,0	0.00000	5.36000	0.00000
16	0.50000	0.75000	0.46460	0,0,m_x	0.00000	0.00000	5.36000
17	0.00000	0.75000	0.53540	0,0,-m_x	0.00000	0.00000	-5.36000
18	0.25000	0.03540	0.50000	0,-m_x,0	0.00000	-5.36000	0.00000
19	0.53540	0.50000	0.25000	m_x,0,0	5.36000	0.00000	0.00000
20	0.96460	0.50000	0.75000	-m_x,0,0	-5.36000	0.00000	0.00000
21	0.25000	0.53540	0.50000	0,m_x,0	0.00000	5.36000	0.00000
22	0.50000	0.25000	0.53540	0,0,m_x	0.00000	0.00000	5.36000
23	0.00000	0.25000	0.46460	0,0,-m_x	0.00000	0.00000	-5.36000
24	0.75000	0.96460	0.50000	0,-m_x,0	0.00000	-5.36000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.39100	0.15200	0.37900
2	0.39100	0.84800	0.12100
3	0.10900	0.15200	0.62100
4	0.60900	0.34800	0.37900
5	0.37900	0.39100	0.15200
6	0.15200	0.37900	0.39100
7	0.34800	0.37900	0.60900
8	0.62100	0.10900	0.15200
9	0.84800	0.12100	0.39100
10	0.37900	0.60900	0.34800
11	0.15200	0.62100	0.10900
12	0.12100	0.39100	0.84800
13	0.60900	0.84800	0.62100
14	0.60900	0.15200	0.87900
15	0.89100	0.84800	0.37900
16	0.39100	0.65200	0.62100
17	0.62100	0.60900	0.84800
18	0.84800	0.62100	0.60900
19	0.65200	0.62100	0.39100
20	0.37900	0.89100	0.84800
21	0.15200	0.87900	0.60900
22	0.62100	0.39100	0.65200
23	0.84800	0.37900	0.89100
24	0.87900	0.60900	0.15200
(1/2,1/2,1/2) + set click here to show and hide
25	0.89100	0.65200	0.87900
26	0.89100	0.34800	0.62100
27	0.60900	0.65200	0.12100
28	0.10900	0.84800	0.87900
29	0.87900	0.89100	0.65200
30	0.65200	0.87900	0.89100
31	0.84800	0.87900	0.10900
32	0.12100	0.60900	0.65200
33	0.34800	0.62100	0.89100
34	0.87900	0.10900	0.84800
35	0.65200	0.12100	0.60900
36	0.62100	0.89100	0.34800
37	0.10900	0.34800	0.12100
38	0.10900	0.65200	0.37900
39	0.39100	0.34800	0.87900
40	0.89100	0.15200	0.12100
41	0.12100	0.10900	0.34800
42	0.34800	0.12100	0.10900
43	0.15200	0.12100	0.89100
44	0.87900	0.39100	0.34800
45	0.65200	0.37900	0.10900
46	0.12100	0.89100	0.15200
47	0.34800	0.87900	0.39100
48	0.37900	0.10900	0.65200

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.25000	0.25000	0.25000	8	m_x,m_x,m_x	3.5	3.5	3.5	6.06
Er2	Er	0.96460	0.00000	0.25000	24	m_x,0,0	5.36(8)	0.0	0.0	5.36

[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 Er1:

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	3.50000	3.50000	3.50000
2	0.25000	0.75000	0.25000	m_x,-m_x,-m_x	3.50000	-3.50000	-3.50000
3	0.25000	0.25000	0.75000	-m_x,m_x,-m_x	-3.50000	3.50000	-3.50000
4	0.75000	0.25000	0.25000	-m_x,-m_x,m_x	-3.50000	-3.50000	3.50000
(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	3.50000	3.50000	3.50000
6	0.75000	0.25000	0.75000	m_x,-m_x,-m_x	3.50000	-3.50000	-3.50000
7	0.75000	0.75000	0.25000	-m_x,m_x,-m_x	-3.50000	3.50000	-3.50000
8	0.25000	0.75000	0.75000	-m_x,-m_x,m_x	-3.50000	-3.50000	3.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Er2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.96460	0.00000	0.25000	m_x,0,0	5.36000	0.00000	0.00000
2	0.53540	0.00000	0.75000	-m_x,0,0	-5.36000	0.00000	0.00000
3	0.25000	0.96460	0.00000	0,m_x,0	0.00000	5.36000	0.00000
4	0.00000	0.25000	0.96460	0,0,m_x	0.00000	0.00000	5.36000
5	0.50000	0.25000	0.03540	0,0,-m_x	0.00000	0.00000	-5.36000
6	0.75000	0.53540	0.00000	0,-m_x,0	0.00000	-5.36000	0.00000
7	0.03540	0.00000	0.75000	m_x,0,0	5.36000	0.00000	0.00000
8	0.46460	0.00000	0.25000	-m_x,0,0	-5.36000	0.00000	0.00000
9	0.75000	0.03540	0.00000	0,m_x,0	0.00000	5.36000	0.00000
10	0.00000	0.75000	0.03540	0,0,m_x	0.00000	0.00000	5.36000
11	0.50000	0.75000	0.96460	0,0,-m_x	0.00000	0.00000	-5.36000
12	0.25000	0.46460	0.00000	0,-m_x,0	0.00000	-5.36000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
13	0.46460	0.50000	0.75000	m_x,0,0	5.36000	0.00000	0.00000
14	0.03540	0.50000	0.25000	-m_x,0,0	-5.36000	0.00000	0.00000
15	0.75000	0.46460	0.50000	0,m_x,0	0.00000	5.36000	0.00000
16	0.50000	0.75000	0.46460	0,0,m_x	0.00000	0.00000	5.36000
17	0.00000	0.75000	0.53540	0,0,-m_x	0.00000	0.00000	-5.36000
18	0.25000	0.03540	0.50000	0,-m_x,0	0.00000	-5.36000	0.00000
19	0.53540	0.50000	0.25000	m_x,0,0	5.36000	0.00000	0.00000
20	0.96460	0.50000	0.75000	-m_x,0,0	-5.36000	0.00000	0.00000
21	0.25000	0.53540	0.50000	0,m_x,0	0.00000	5.36000	0.00000
22	0.50000	0.25000	0.53540	0,0,m_x	0.00000	0.00000	5.36000
23	0.00000	0.25000	0.46460	0,0,-m_x	0.00000	0.00000	-5.36000
24	0.75000	0.96460	0.50000	0,-m_x,0	0.00000	-5.36000	0.00000

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label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	2

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

Er₂O₃ (#0.941)

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

Er2O3 (#0.941)

Er₂O₃ (#0.941)