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+1/4,-z+1/4,+1	{ 2₁₀₀ \| 0 1/4 1/4 }
3	-x+1/4,-y+3/4,z+1/2,+1	{ 2₀₀₁ \| 1/4 3/4 1/2 }
4	-x+1/4,y,-z+1/4,+1	{ 2₀₁₀ \| 1/4 0 1/4 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-x,y+1/4,z+1/4,+1	{ m₁₀₀ \| 0 1/4 1/4 }
7	x+3/4,y+1/4,-z+1/2,+1	{ m₀₀₁ \| 3/4 1/4 1/2 }
8	x+3/4,-y,z+3/4,+1	{ m₀₁₀ \| 3/4 0 3/4 }
9	x+3/4,z+1/4,-y+1/2,-1	{ 4'^-₁₀₀ \| 3/4 1/4 1/2 }
10	x+3/4,-z,y+3/4,-1	{ 4'⁺₁₀₀ \| 3/4 0 3/4 }
11	-x,-z,-y,-1	{ 2'_01-1 \| 0 }
12	-x,z+1/4,y+1/4,-1	{ 2'₀₁₁ \| 0 1/4 1/4 }
13	-x+1/4,-z+3/4,y+1/2,-1	{ -4'^-₁₀₀ \| 1/4 3/4 1/2 }
14	-x+1/4,z,-y+1/4,-1	{ -4'⁺₁₀₀ \| 1/4 0 1/4 }
15	x,z,y,-1	{ m'_01-1 \| 0 }
16	x,-z+1/4,-y+1/4,-1	{ m'₀₁₁ \| 0 1/4 1/4 }
(0,1/2,1/2) + set click here to show and hide
17	x,y+1/2,z+1/2,+1	{ 1 \| 0 1/2 1/2 }
18	x,-y+3/4,-z+3/4,+1	{ 2₁₀₀ \| 0 3/4 3/4 }
19	-x+1/4,-y+1/4,z,+1	{ 2₀₀₁ \| 1/4 1/4 0 }
20	-x+1/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 1/4 1/2 3/4 }
21	-x,-y+1/2,-z+1/2,+1	{ -1 \| 0 1/2 1/2 }
22	-x,y+3/4,z+3/4,+1	{ m₁₀₀ \| 0 3/4 3/4 }
23	x+3/4,y+3/4,-z,+1	{ m₀₀₁ \| 3/4 3/4 0 }
24	x+3/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 3/4 1/2 1/4 }
25	x+3/4,z+3/4,-y,-1	{ 4'^-₁₀₀ \| 3/4 3/4 0 }
26	x+3/4,-z+1/2,y+1/4,-1	{ 4'⁺₁₀₀ \| 3/4 1/2 1/4 }
27	-x,-z+1/2,-y+1/2,-1	{ 2'_01-1 \| 0 1/2 1/2 }
28	-x,z+3/4,y+3/4,-1	{ 2'₀₁₁ \| 0 3/4 3/4 }
29	-x+1/4,-z+1/4,y,-1	{ -4'^-₁₀₀ \| 1/4 1/4 0 }
30	-x+1/4,z+1/2,-y+3/4,-1	{ -4'⁺₁₀₀ \| 1/4 1/2 3/4 }
31	x,z+1/2,y+1/2,-1	{ m'_01-1 \| 0 1/2 1/2 }
32	x,-z+3/4,-y+3/4,-1	{ m'₀₁₁ \| 0 3/4 3/4 }
(1/2,0,1/2) + set click here to show and hide
33	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
34	x+1/2,-y+1/4,-z+3/4,+1	{ 2₁₀₀ \| 1/2 1/4 3/4 }
35	-x+3/4,-y+3/4,z,+1	{ 2₀₀₁ \| 3/4 3/4 0 }
36	-x+3/4,y,-z+3/4,+1	{ 2₀₁₀ \| 3/4 0 3/4 }
37	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
38	-x+1/2,y+1/4,z+3/4,+1	{ m₁₀₀ \| 1/2 1/4 3/4 }
39	x+1/4,y+1/4,-z,+1	{ m₀₀₁ \| 1/4 1/4 0 }
40	x+1/4,-y,z+1/4,+1	{ m₀₁₀ \| 1/4 0 1/4 }
41	x+1/4,z+1/4,-y,-1	{ 4'^-₁₀₀ \| 1/4 1/4 0 }
42	x+1/4,-z,y+1/4,-1	{ 4'⁺₁₀₀ \| 1/4 0 1/4 }
43	-x+1/2,-z,-y+1/2,-1	{ 2'_01-1 \| 1/2 0 1/2 }
44	-x+1/2,z+1/4,y+3/4,-1	{ 2'₀₁₁ \| 1/2 1/4 3/4 }
45	-x+3/4,-z+3/4,y,-1	{ -4'^-₁₀₀ \| 3/4 3/4 0 }
46	-x+3/4,z,-y+3/4,-1	{ -4'⁺₁₀₀ \| 3/4 0 3/4 }
47	x+1/2,z,y+1/2,-1	{ m'_01-1 \| 1/2 0 1/2 }
48	x+1/2,-z+1/4,-y+3/4,-1	{ m'₀₁₁ \| 1/2 1/4 3/4 }
(1/2,1/2,0) + set click here to show and hide
49	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
50	x+1/2,-y+3/4,-z+1/4,+1	{ 2₁₀₀ \| 1/2 3/4 1/4 }
51	-x+3/4,-y+1/4,z+1/2,+1	{ 2₀₀₁ \| 3/4 1/4 1/2 }
52	-x+3/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 3/4 1/2 1/4 }
53	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
54	-x+1/2,y+3/4,z+1/4,+1	{ m₁₀₀ \| 1/2 3/4 1/4 }
55	x+1/4,y+3/4,-z+1/2,+1	{ m₀₀₁ \| 1/4 3/4 1/2 }
56	x+1/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 1/4 1/2 3/4 }
57	x+1/4,z+3/4,-y+1/2,-1	{ 4'^-₁₀₀ \| 1/4 3/4 1/2 }
58	x+1/4,-z+1/2,y+3/4,-1	{ 4'⁺₁₀₀ \| 1/4 1/2 3/4 }
59	-x+1/2,-z+1/2,-y,-1	{ 2'_01-1 \| 1/2 1/2 0 }
60	-x+1/2,z+3/4,y+1/4,-1	{ 2'₀₁₁ \| 1/2 3/4 1/4 }
61	-x+3/4,-z+1/4,y+1/2,-1	{ -4'^-₁₀₀ \| 3/4 1/4 1/2 }
62	-x+3/4,z+1/2,-y+1/4,-1	{ -4'⁺₁₀₀ \| 3/4 1/2 1/4 }
63	x+1/2,z+1/2,y,-1	{ m'_01-1 \| 1/2 1/2 0 }
64	x+1/2,-z+3/4,-y+1/4,-1	{ m'₀₁₁ \| 1/2 3/4 1/4 }

[Hide]

N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	x,-y,-z,+1	2₁₀₀
3	-x,-y,z,+1	2₀₀₁
4	-x,y,-z,+1	2₀₁₀
5	-x,-y,-z,+1	-1
6	-x,y,z,+1	m₁₀₀
7	x,y,-z,+1	m₀₀₁
8	x,-y,z,+1	m₀₁₀
9	x,z,-y,-1	4'^-₁₀₀
10	x,-z,y,-1	4'⁺₁₀₀
11	-x,-z,-y,-1	2'_01-1
12	-x,z,y,-1	2'₀₁₁
13	-x,-z,y,-1	-4'^-₁₀₀
14	-x,z,-y,-1	-4'⁺₁₀₀
15	x,z,y,-1	m'_01-1
16	x,-z,-y,-1	m'₀₁₁

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.50000	0.50000	0.50000	16	m_x,m_z,m_z	4.5	0.0	0.0	4.50
Ru1	Ru	0.00000	0.00000	0.00000	16	m_x,m_z,m_z	-2.	0.0	0.0	2.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
O1_1	O	0.33580	0.12500	0.12500	16
O1_2	O	0.12500	0.33580	0.12500	32
O2	O	0.37500	0.37500	0.37500	8

[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	0.50000	0.50000	0.50000	m_x,m_z,m_z	4.50000	0.00000	0.00000
2	0.50000	0.75000	0.75000	m_x,-m_z,-m_z	4.50000	0.00000	0.00000
3	0.75000	0.25000	0.00000	-m_x,-m_z,m_z	-4.50000	0.00000	0.00000
4	0.75000	0.50000	0.75000	-m_x,m_z,-m_z	-4.50000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.00000	m_x,m_z,m_z	4.50000	0.00000	0.00000
6	0.50000	0.25000	0.25000	m_x,-m_z,-m_z	4.50000	0.00000	0.00000
7	0.75000	0.75000	0.50000	-m_x,-m_z,m_z	-4.50000	0.00000	0.00000
8	0.75000	0.00000	0.25000	-m_x,m_z,-m_z	-4.50000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.00000	0.50000	0.00000	m_x,m_z,m_z	4.50000	0.00000	0.00000
10	0.00000	0.75000	0.25000	m_x,-m_z,-m_z	4.50000	0.00000	0.00000
11	0.25000	0.25000	0.50000	-m_x,-m_z,m_z	-4.50000	0.00000	0.00000
12	0.25000	0.50000	0.25000	-m_x,m_z,-m_z	-4.50000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.00000	0.00000	0.50000	m_x,m_z,m_z	4.50000	0.00000	0.00000
14	0.00000	0.25000	0.75000	m_x,-m_z,-m_z	4.50000	0.00000	0.00000
15	0.25000	0.75000	0.00000	-m_x,-m_z,m_z	-4.50000	0.00000	0.00000
16	0.25000	0.00000	0.75000	-m_x,m_z,-m_z	-4.50000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ru1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_z,m_z	-2.00000	0.00000	0.00000
2	0.00000	0.25000	0.25000	m_x,-m_z,-m_z	-2.00000	0.00000	0.00000
3	0.25000	0.75000	0.50000	-m_x,-m_z,m_z	2.00000	0.00000	0.00000
4	0.25000	0.00000	0.25000	-m_x,m_z,-m_z	2.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.50000	0.50000	m_x,m_z,m_z	-2.00000	0.00000	0.00000
6	0.00000	0.75000	0.75000	m_x,-m_z,-m_z	-2.00000	0.00000	0.00000
7	0.25000	0.25000	0.00000	-m_x,-m_z,m_z	2.00000	0.00000	0.00000
8	0.25000	0.50000	0.75000	-m_x,m_z,-m_z	2.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.50000	m_x,m_z,m_z	-2.00000	0.00000	0.00000
10	0.50000	0.25000	0.75000	m_x,-m_z,-m_z	-2.00000	0.00000	0.00000
11	0.75000	0.75000	0.00000	-m_x,-m_z,m_z	2.00000	0.00000	0.00000
12	0.75000	0.00000	0.75000	-m_x,m_z,-m_z	2.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.50000	0.50000	0.00000	m_x,m_z,m_z	-2.00000	0.00000	0.00000
14	0.50000	0.75000	0.25000	m_x,-m_z,-m_z	-2.00000	0.00000	0.00000
15	0.75000	0.25000	0.50000	-m_x,-m_z,m_z	2.00000	0.00000	0.00000
16	0.75000	0.50000	0.25000	-m_x,m_z,-m_z	2.00000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.33580	0.12500	0.12500
2	0.91420	0.62500	0.62500
3	0.66420	0.87500	0.87500
4	0.08580	0.37500	0.37500
(0,1/2,1/2) + set click here to show and hide
5	0.33580	0.62500	0.62500
6	0.91420	0.12500	0.12500
7	0.66420	0.37500	0.37500
8	0.08580	0.87500	0.87500
(1/2,0,1/2) + set click here to show and hide
9	0.83580	0.12500	0.62500
10	0.41420	0.62500	0.12500
11	0.16420	0.87500	0.37500
12	0.58580	0.37500	0.87500
(1/2,1/2,0) + set click here to show and hide
13	0.83580	0.62500	0.12500
14	0.41420	0.12500	0.62500
15	0.16420	0.37500	0.87500
16	0.58580	0.87500	0.37500

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

Atom	x	y	z
1	0.12500	0.33580	0.12500
2	0.12500	0.91420	0.12500
3	0.87500	0.66420	0.87500
4	0.87500	0.58580	0.37500
5	0.87500	0.37500	0.16420
6	0.87500	0.87500	0.08580
7	0.12500	0.62500	0.83580
8	0.12500	0.12500	0.91420
(0,1/2,1/2) + set click here to show and hide
9	0.12500	0.83580	0.62500
10	0.12500	0.41420	0.62500
11	0.87500	0.16420	0.37500
12	0.87500	0.08580	0.87500
13	0.87500	0.87500	0.66420
14	0.87500	0.37500	0.58580
15	0.12500	0.12500	0.33580
16	0.12500	0.62500	0.41420
(1/2,0,1/2) + set click here to show and hide
17	0.62500	0.33580	0.62500
18	0.62500	0.91420	0.62500
19	0.37500	0.66420	0.37500
20	0.37500	0.58580	0.87500
21	0.37500	0.37500	0.66420
22	0.37500	0.87500	0.58580
23	0.62500	0.62500	0.33580
24	0.62500	0.12500	0.41420
(1/2,1/2,0) + set click here to show and hide
25	0.62500	0.83580	0.12500
26	0.62500	0.41420	0.12500
27	0.37500	0.16420	0.87500
28	0.37500	0.08580	0.37500
29	0.37500	0.87500	0.16420
30	0.37500	0.37500	0.08580
31	0.62500	0.12500	0.83580
32	0.62500	0.62500	0.91420

Set of atoms in the unit cell related by symmetry with the atom O2:

Atom	x	y	z
1	0.37500	0.37500	0.37500
2	0.62500	0.62500	0.62500
(0,1/2,1/2) + set click here to show and hide
3	0.37500	0.87500	0.87500
4	0.62500	0.12500	0.12500
(1/2,0,1/2) + set click here to show and hide
5	0.87500	0.37500	0.87500
6	0.12500	0.62500	0.12500
(1/2,1/2,0) + set click here to show and hide
7	0.87500	0.87500	0.37500
8	0.12500	0.12500	0.62500

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.50000	0.50000	0.50000	16	m_x,m_z,m_z	4.5	0.0	0.0	4.50
Ru1	Ru	0.00000	0.00000	0.00000	16	m_x,m_z,m_z	-2.	0.0	0.0	2.00

[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	0.50000	0.50000	0.50000	m_x,m_z,m_z	4.50000	0.00000	0.00000
2	0.50000	0.75000	0.75000	m_x,-m_z,-m_z	4.50000	0.00000	0.00000
3	0.75000	0.25000	0.00000	-m_x,-m_z,m_z	-4.50000	0.00000	0.00000
4	0.75000	0.50000	0.75000	-m_x,m_z,-m_z	-4.50000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.50000	0.00000	0.00000	m_x,m_z,m_z	4.50000	0.00000	0.00000
6	0.50000	0.25000	0.25000	m_x,-m_z,-m_z	4.50000	0.00000	0.00000
7	0.75000	0.75000	0.50000	-m_x,-m_z,m_z	-4.50000	0.00000	0.00000
8	0.75000	0.00000	0.25000	-m_x,m_z,-m_z	-4.50000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.00000	0.50000	0.00000	m_x,m_z,m_z	4.50000	0.00000	0.00000
10	0.00000	0.75000	0.25000	m_x,-m_z,-m_z	4.50000	0.00000	0.00000
11	0.25000	0.25000	0.50000	-m_x,-m_z,m_z	-4.50000	0.00000	0.00000
12	0.25000	0.50000	0.25000	-m_x,m_z,-m_z	-4.50000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.00000	0.00000	0.50000	m_x,m_z,m_z	4.50000	0.00000	0.00000
14	0.00000	0.25000	0.75000	m_x,-m_z,-m_z	4.50000	0.00000	0.00000
15	0.25000	0.75000	0.00000	-m_x,-m_z,m_z	-4.50000	0.00000	0.00000
16	0.25000	0.00000	0.75000	-m_x,m_z,-m_z	-4.50000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Ru1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_z,m_z	-2.00000	0.00000	0.00000
2	0.00000	0.25000	0.25000	m_x,-m_z,-m_z	-2.00000	0.00000	0.00000
3	0.25000	0.75000	0.50000	-m_x,-m_z,m_z	2.00000	0.00000	0.00000
4	0.25000	0.00000	0.25000	-m_x,m_z,-m_z	2.00000	0.00000	0.00000
(0,1/2,1/2) + set click here to show and hide
5	0.00000	0.50000	0.50000	m_x,m_z,m_z	-2.00000	0.00000	0.00000
6	0.00000	0.75000	0.75000	m_x,-m_z,-m_z	-2.00000	0.00000	0.00000
7	0.25000	0.25000	0.00000	-m_x,-m_z,m_z	2.00000	0.00000	0.00000
8	0.25000	0.50000	0.75000	-m_x,m_z,-m_z	2.00000	0.00000	0.00000
(1/2,0,1/2) + set click here to show and hide
9	0.50000	0.00000	0.50000	m_x,m_z,m_z	-2.00000	0.00000	0.00000
10	0.50000	0.25000	0.75000	m_x,-m_z,-m_z	-2.00000	0.00000	0.00000
11	0.75000	0.75000	0.00000	-m_x,-m_z,m_z	2.00000	0.00000	0.00000
12	0.75000	0.00000	0.75000	-m_x,m_z,-m_z	2.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
13	0.50000	0.50000	0.00000	m_x,m_z,m_z	-2.00000	0.00000	0.00000
14	0.50000	0.75000	0.25000	m_x,-m_z,-m_z	-2.00000	0.00000	0.00000
15	0.75000	0.25000	0.50000	-m_x,-m_z,m_z	2.00000	0.00000	0.00000
16	0.75000	0.50000	0.25000	-m_x,m_z,-m_z	2.00000	0.00000	0.00000

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label	dim. full irrep	dim. small irrep	direction	action	number of modes	presence
mGM3+	2	2	special	primary	2
mGM2+	1	1		secondary	2	yes

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

Er₂Ru₂O₇ (#0.154)

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

Er2Ru2O7 (#0.154)

Er₂Ru₂O₇ (#0.154)