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,x,z,+1	{ 4⁺₀₀₁ \| 0 }
3	y,-x,z,+1	{ 4^-₀₀₁ \| 0 }
4	y,x+1/2,-z+1/2,+1	{ 2₁₁₀ \| 0 1/2 1/2 }
5	-y,-x+1/2,-z+1/2,+1	{ 2_1-10 \| 0 1/2 1/2 }
6	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
7	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
8	x,-y+1/2,-z+1/2,+1	{ 2₁₀₀ \| 0 1/2 1/2 }
9	-x,-y,-z,+1	{ -1 \| 0 }
10	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
11	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
12	-y,-x+1/2,z+1/2,+1	{ m₁₁₀ \| 0 1/2 1/2 }
13	y,x+1/2,z+1/2,+1	{ m_1-10 \| 0 1/2 1/2 }
14	x,y,-z,+1	{ m₀₀₁ \| 0 }
15	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
16	-x,y+1/2,z+1/2,+1	{ m₁₀₀ \| 0 1/2 1/2 }
(1/2,1/2,0) + set click here to show and hide
17	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
18	-y+1/2,x+1/2,z,+1	{ 4⁺₀₀₁ \| 1/2 1/2 0 }
19	y+1/2,-x+1/2,z,+1	{ 4^-₀₀₁ \| 1/2 1/2 0 }
20	y+1/2,x,-z+1/2,+1	{ 2₁₁₀ \| 1/2 0 1/2 }
21	-y+1/2,-x,-z+1/2,+1	{ 2_1-10 \| 1/2 0 1/2 }
22	-x+1/2,-y+1/2,z,+1	{ 2₀₀₁ \| 1/2 1/2 0 }
23	-x+1/2,y,-z+1/2,+1	{ 2₀₁₀ \| 1/2 0 1/2 }
24	x+1/2,-y,-z+1/2,+1	{ 2₁₀₀ \| 1/2 0 1/2 }
25	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
26	y+1/2,-x+1/2,-z,+1	{ -4⁺₀₀₁ \| 1/2 1/2 0 }
27	-y+1/2,x+1/2,-z,+1	{ -4^-₀₀₁ \| 1/2 1/2 0 }
28	-y+1/2,-x,z+1/2,+1	{ m₁₁₀ \| 1/2 0 1/2 }
29	y+1/2,x,z+1/2,+1	{ m_1-10 \| 1/2 0 1/2 }
30	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
31	x+1/2,-y,z+1/2,+1	{ m₀₁₀ \| 1/2 0 1/2 }
32	-x+1/2,y,z+1/2,+1	{ m₁₀₀ \| 1/2 0 1/2 }
(0,1/2,1/2)' + set click here to show and hide
33	x,y+1/2,z+1/2,-1	{ 1' \| 0 1/2 1/2 }
34	-y,x+1/2,z+1/2,-1	{ 4'⁺₀₀₁ \| 0 1/2 1/2 }
35	y,-x+1/2,z+1/2,-1	{ 4'^-₀₀₁ \| 0 1/2 1/2 }
36	y,x,-z,-1	{ 2'₁₁₀ \| 0 }
37	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
38	-x,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 0 1/2 1/2 }
39	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
40	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
41	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
42	y,-x+1/2,-z+1/2,-1	{ -4'⁺₀₀₁ \| 0 1/2 1/2 }
43	-y,x+1/2,-z+1/2,-1	{ -4'^-₀₀₁ \| 0 1/2 1/2 }
44	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
45	y,x,z,-1	{ m'_1-10 \| 0 }
46	x,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 0 1/2 1/2 }
47	x,-y,z,-1	{ m'₀₁₀ \| 0 }
48	-x,y,z,-1	{ m'₁₀₀ \| 0 }
(1/2,0,1/2)' + set click here to show and hide
49	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
50	-y+1/2,x,z+1/2,-1	{ 4'⁺₀₀₁ \| 1/2 0 1/2 }
51	y+1/2,-x,z+1/2,-1	{ 4'^-₀₀₁ \| 1/2 0 1/2 }
52	y+1/2,x+1/2,-z,-1	{ 2'₁₁₀ \| 1/2 1/2 0 }
53	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
54	-x+1/2,-y,z+1/2,-1	{ 2'₀₀₁ \| 1/2 0 1/2 }
55	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
56	x+1/2,-y+1/2,-z,-1	{ 2'₁₀₀ \| 1/2 1/2 0 }
57	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
58	y+1/2,-x,-z+1/2,-1	{ -4'⁺₀₀₁ \| 1/2 0 1/2 }
59	-y+1/2,x,-z+1/2,-1	{ -4'^-₀₀₁ \| 1/2 0 1/2 }
60	-y+1/2,-x+1/2,z,-1	{ m'₁₁₀ \| 1/2 1/2 0 }
61	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
62	x+1/2,y,-z+1/2,-1	{ m'₀₀₁ \| 1/2 0 1/2 }
63	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
64	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }

[Hide]

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,z,+1	4⁺₀₀₁
3	y,-x,z,+1	4^-₀₀₁
4	y,x,-z,+1	2₁₁₀
5	-y,-x,-z,+1	2_1-10
6	-x,-y,z,+1	2₀₀₁
7	-x,y,-z,+1	2₀₁₀
8	x,-y,-z,+1	2₁₀₀
9	-x,-y,-z,+1	-1
10	y,-x,-z,+1	-4⁺₀₀₁
11	-y,x,-z,+1	-4^-₀₀₁
12	-y,-x,z,+1	m₁₁₀
13	y,x,z,+1	m_1-10
14	x,y,-z,+1	m₀₀₁
15	x,-y,z,+1	m₀₁₀
16	-x,y,z,+1	m₁₀₀
1' + set click here to show and hide
17	x,y,z,-1	1'
18	-y,x,z,-1	4'⁺₀₀₁
19	y,-x,z,-1	4'^-₀₀₁
20	y,x,-z,-1	2'₁₁₀
21	-y,-x,-z,-1	2'_1-10
22	-x,-y,z,-1	2'₀₀₁
23	-x,y,-z,-1	2'₀₁₀
24	x,-y,-z,-1	2'₁₀₀
25	-x,-y,-z,-1	-1'
26	y,-x,-z,-1	-4'⁺₀₀₁
27	-y,x,-z,-1	-4'^-₀₀₁
28	-y,-x,z,-1	m'₁₁₀
29	y,x,z,-1	m'_1-10
30	x,y,-z,-1	m'₀₀₁
31	x,-y,z,-1	m'₀₁₀
32	-x,y,z,-1	m'₁₀₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Yb1	Yb	0.50000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	1.00(3)	1.00
Ru1	Ru	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	2.57(6)	2.57

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.25000	0.25000	0.25000	8
O1_1	O	0.23820	0.00000	0.00000	16
O1_2	O	0.00000	0.00000	0.23820	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 Yb1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	1.00000
(1/2,1/2,0) + set click here to show and hide
2	0.00000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	1.00000
(0,1/2,1/2)' + set click here to show and hide
3	0.50000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-1.00000
(1/2,0,1/2)' + set click here to show and hide
4	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-1.00000

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	0,0,m_z	0.00000	0.00000	2.57000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	2.57000
(0,1/2,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-2.57000
(1/2,0,1/2)' + set click here to show and hide
4	0.50000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	-2.57000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.25000	0.25000	0.25000
2	0.75000	0.25000	0.25000
(1/2,1/2,0) + set click here to show and hide
3	0.75000	0.75000	0.25000
4	0.25000	0.75000	0.25000
(0,1/2,1/2)' + set click here to show and hide
5	0.25000	0.75000	0.75000
6	0.75000	0.75000	0.75000
(1/2,0,1/2)' + set click here to show and hide
7	0.75000	0.25000	0.75000
8	0.25000	0.25000	0.75000

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

Atom	x	y	z
1	0.23820	0.00000	0.00000
2	0.00000	0.23820	0.00000
3	0.00000	0.76180	0.00000
4	0.76180	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.73820	0.50000	0.00000
6	0.50000	0.73820	0.00000
7	0.50000	0.26180	0.00000
8	0.26180	0.50000	0.00000
(0,1/2,1/2)' + set click here to show and hide
9	0.23820	0.50000	0.50000
10	0.00000	0.73820	0.50000
11	0.00000	0.26180	0.50000
12	0.76180	0.50000	0.50000
(1/2,0,1/2)' + set click here to show and hide
13	0.73820	0.00000	0.50000
14	0.50000	0.23820	0.50000
15	0.50000	0.76180	0.50000
16	0.26180	0.00000	0.50000

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

Atom	x	y	z
1	0.00000	0.00000	0.23820
2	0.00000	0.50000	0.26180
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.23820
4	0.50000	0.00000	0.26180
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.73820
6	0.00000	0.00000	0.76180
(1/2,0,1/2)' + set click here to show and hide
7	0.50000	0.00000	0.73820
8	0.50000	0.50000	0.76180

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Yb1	Yb	0.50000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	1.00(3)	1.00
Ru1	Ru	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	2.57(6)	2.57

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

label	dim. small irrep	dim. full irrep	action	number of modes
mX3+	1	3	primary	2

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

Ba₂YbRuO₆ (#1.566)

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

Ba2YbRuO6 (#1.566)

Ba₂YbRuO₆ (#1.566)