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	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.00000	0.00000	0.00000	0.5	8	m_x,m_x,m_x	2.47	2.47	2.47	4.28
Er2	Er	0.28210	0.00000	0.25000	0.5	24	m_x,0,0	4.28(2)	0.0	0.0	4.28

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1	La	0.00000	0.00000	0.00000	0.5	8
La2	La	0.28210	0.00000	0.25000	0.5	24
O1	O	0.08280	0.37880	0.12320	1.	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	0.00000	0.00000	0.00000	m_x,m_x,m_x	2.47000	2.47000	2.47000
2	0.00000	0.00000	0.50000	m_x,-m_x,-m_x	2.47000	-2.47000	-2.47000
3	0.50000	0.00000	0.00000	-m_x,m_x,-m_x	-2.47000	2.47000	-2.47000
4	0.00000	0.50000	0.00000	-m_x,-m_x,m_x	-2.47000	-2.47000	2.47000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.50000	m_x,m_x,m_x	2.47000	2.47000	2.47000
6	0.50000	0.50000	0.00000	m_x,-m_x,-m_x	2.47000	-2.47000	-2.47000
7	0.00000	0.50000	0.50000	-m_x,m_x,-m_x	-2.47000	2.47000	-2.47000
8	0.50000	0.00000	0.50000	-m_x,-m_x,m_x	-2.47000	-2.47000	2.47000

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	0.28210	0.00000	0.25000	m_x,0,0	4.28000	0.00000	0.00000
2	0.21790	0.00000	0.75000	-m_x,0,0	-4.28000	0.00000	0.00000
3	0.25000	0.28210	0.00000	0,m_x,0	0.00000	4.28000	0.00000
4	0.00000	0.25000	0.28210	0,0,m_x	0.00000	0.00000	4.28000
5	0.50000	0.25000	0.71790	0,0,-m_x	0.00000	0.00000	-4.28000
6	0.75000	0.21790	0.00000	0,-m_x,0	0.00000	-4.28000	0.00000
7	0.71790	0.00000	0.75000	m_x,0,0	4.28000	0.00000	0.00000
8	0.78210	0.00000	0.25000	-m_x,0,0	-4.28000	0.00000	0.00000
9	0.75000	0.71790	0.00000	0,m_x,0	0.00000	4.28000	0.00000
10	0.00000	0.75000	0.71790	0,0,m_x	0.00000	0.00000	4.28000
11	0.50000	0.75000	0.28210	0,0,-m_x	0.00000	0.00000	-4.28000
12	0.25000	0.78210	0.00000	0,-m_x,0	0.00000	-4.28000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
13	0.78210	0.50000	0.75000	m_x,0,0	4.28000	0.00000	0.00000
14	0.71790	0.50000	0.25000	-m_x,0,0	-4.28000	0.00000	0.00000
15	0.75000	0.78210	0.50000	0,m_x,0	0.00000	4.28000	0.00000
16	0.50000	0.75000	0.78210	0,0,m_x	0.00000	0.00000	4.28000
17	0.00000	0.75000	0.21790	0,0,-m_x	0.00000	0.00000	-4.28000
18	0.25000	0.71790	0.50000	0,-m_x,0	0.00000	-4.28000	0.00000
19	0.21790	0.50000	0.25000	m_x,0,0	4.28000	0.00000	0.00000
20	0.28210	0.50000	0.75000	-m_x,0,0	-4.28000	0.00000	0.00000
21	0.25000	0.21790	0.50000	0,m_x,0	0.00000	4.28000	0.00000
22	0.50000	0.25000	0.21790	0,0,m_x	0.00000	0.00000	4.28000
23	0.00000	0.25000	0.78210	0,0,-m_x	0.00000	0.00000	-4.28000
24	0.75000	0.28210	0.50000	0,-m_x,0	0.00000	-4.28000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.00000	0.00000	0.50000
3	0.50000	0.00000	0.00000
4	0.00000	0.50000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.50000
6	0.50000	0.50000	0.00000
7	0.00000	0.50000	0.50000
8	0.50000	0.00000	0.50000

Set of atoms in the unit cell related by symmetry with the atom La2:

Atom	x	y	z
1	0.28210	0.00000	0.25000
2	0.21790	0.00000	0.75000
3	0.25000	0.28210	0.00000
4	0.00000	0.25000	0.28210
5	0.50000	0.25000	0.71790
6	0.75000	0.21790	0.00000
7	0.71790	0.00000	0.75000
8	0.78210	0.00000	0.25000
9	0.75000	0.71790	0.00000
10	0.00000	0.75000	0.71790
11	0.50000	0.75000	0.28210
12	0.25000	0.78210	0.00000
(1/2,1/2,1/2) + set click here to show and hide
13	0.78210	0.50000	0.75000
14	0.71790	0.50000	0.25000
15	0.75000	0.78210	0.50000
16	0.50000	0.75000	0.78210
17	0.00000	0.75000	0.21790
18	0.25000	0.71790	0.50000
19	0.21790	0.50000	0.25000
20	0.28210	0.50000	0.75000
21	0.25000	0.21790	0.50000
22	0.50000	0.25000	0.21790
23	0.00000	0.25000	0.78210
24	0.75000	0.28210	0.50000

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

Atom	x	y	z
1	0.08280	0.37880	0.12320
2	0.08280	0.62120	0.37680
3	0.41720	0.37880	0.87680
4	0.91720	0.12120	0.12320
5	0.12320	0.08280	0.37880
6	0.37880	0.12320	0.08280
7	0.12120	0.12320	0.91720
8	0.87680	0.41720	0.37880
9	0.62120	0.37680	0.08280
10	0.12320	0.91720	0.12120
11	0.37880	0.87680	0.41720
12	0.37680	0.08280	0.62120
13	0.91720	0.62120	0.87680
14	0.91720	0.37880	0.62320
15	0.58280	0.62120	0.12320
16	0.08280	0.87880	0.87680
17	0.87680	0.91720	0.62120
18	0.62120	0.87680	0.91720
19	0.87880	0.87680	0.08280
20	0.12320	0.58280	0.62120
21	0.37880	0.62320	0.91720
22	0.87680	0.08280	0.87880
23	0.62120	0.12320	0.58280
24	0.62320	0.91720	0.37880
(1/2,1/2,1/2) + set click here to show and hide
25	0.58280	0.87880	0.62320
26	0.58280	0.12120	0.87680
27	0.91720	0.87880	0.37680
28	0.41720	0.62120	0.62320
29	0.62320	0.58280	0.87880
30	0.87880	0.62320	0.58280
31	0.62120	0.62320	0.41720
32	0.37680	0.91720	0.87880
33	0.12120	0.87680	0.58280
34	0.62320	0.41720	0.62120
35	0.87880	0.37680	0.91720
36	0.87680	0.58280	0.12120
37	0.41720	0.12120	0.37680
38	0.41720	0.87880	0.12320
39	0.08280	0.12120	0.62320
40	0.58280	0.37880	0.37680
41	0.37680	0.41720	0.12120
42	0.12120	0.37680	0.41720
43	0.37880	0.37680	0.58280
44	0.62320	0.08280	0.12120
45	0.87880	0.12320	0.41720
46	0.37680	0.58280	0.37880
47	0.12120	0.62320	0.08280
48	0.12320	0.41720	0.87880

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.00000	0.00000	0.00000	0.5	8	m_x,m_x,m_x	2.47	2.47	2.47	4.28
Er2	Er	0.28210	0.00000	0.25000	0.5	24	m_x,0,0	4.28(2)	0.0	0.0	4.28

[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	0.00000	0.00000	0.00000	m_x,m_x,m_x	2.47000	2.47000	2.47000
2	0.00000	0.00000	0.50000	m_x,-m_x,-m_x	2.47000	-2.47000	-2.47000
3	0.50000	0.00000	0.00000	-m_x,m_x,-m_x	-2.47000	2.47000	-2.47000
4	0.00000	0.50000	0.00000	-m_x,-m_x,m_x	-2.47000	-2.47000	2.47000
(1/2,1/2,1/2) + set click here to show and hide
5	0.50000	0.50000	0.50000	m_x,m_x,m_x	2.47000	2.47000	2.47000
6	0.50000	0.50000	0.00000	m_x,-m_x,-m_x	2.47000	-2.47000	-2.47000
7	0.00000	0.50000	0.50000	-m_x,m_x,-m_x	-2.47000	2.47000	-2.47000
8	0.50000	0.00000	0.50000	-m_x,-m_x,m_x	-2.47000	-2.47000	2.47000

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	0.28210	0.00000	0.25000	m_x,0,0	4.28000	0.00000	0.00000
2	0.21790	0.00000	0.75000	-m_x,0,0	-4.28000	0.00000	0.00000
3	0.25000	0.28210	0.00000	0,m_x,0	0.00000	4.28000	0.00000
4	0.00000	0.25000	0.28210	0,0,m_x	0.00000	0.00000	4.28000
5	0.50000	0.25000	0.71790	0,0,-m_x	0.00000	0.00000	-4.28000
6	0.75000	0.21790	0.00000	0,-m_x,0	0.00000	-4.28000	0.00000
7	0.71790	0.00000	0.75000	m_x,0,0	4.28000	0.00000	0.00000
8	0.78210	0.00000	0.25000	-m_x,0,0	-4.28000	0.00000	0.00000
9	0.75000	0.71790	0.00000	0,m_x,0	0.00000	4.28000	0.00000
10	0.00000	0.75000	0.71790	0,0,m_x	0.00000	0.00000	4.28000
11	0.50000	0.75000	0.28210	0,0,-m_x	0.00000	0.00000	-4.28000
12	0.25000	0.78210	0.00000	0,-m_x,0	0.00000	-4.28000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
13	0.78210	0.50000	0.75000	m_x,0,0	4.28000	0.00000	0.00000
14	0.71790	0.50000	0.25000	-m_x,0,0	-4.28000	0.00000	0.00000
15	0.75000	0.78210	0.50000	0,m_x,0	0.00000	4.28000	0.00000
16	0.50000	0.75000	0.78210	0,0,m_x	0.00000	0.00000	4.28000
17	0.00000	0.75000	0.21790	0,0,-m_x	0.00000	0.00000	-4.28000
18	0.25000	0.71790	0.50000	0,-m_x,0	0.00000	-4.28000	0.00000
19	0.21790	0.50000	0.25000	m_x,0,0	4.28000	0.00000	0.00000
20	0.28210	0.50000	0.75000	-m_x,0,0	-4.28000	0.00000	0.00000
21	0.25000	0.21790	0.50000	0,m_x,0	0.00000	4.28000	0.00000
22	0.50000	0.25000	0.21790	0,0,m_x	0.00000	0.00000	4.28000
23	0.00000	0.25000	0.78210	0,0,-m_x	0.00000	0.00000	-4.28000
24	0.75000	0.28210	0.50000	0,-m_x,0	0.00000	-4.28000	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

(La_0.5Er_0.5)₂O₃ (#0.949)

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

(La0.5Er0.5)2O3 (#0.949)

(La_0.5Er_0.5)₂O₃ (#0.949)