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	z,-y+1/2,x+1/2,+1	{ 2₁₀₁ \| 0 1/2 1/2 }
3	-x,y+1/2,-z+1/2,+1	{ 2₀₁₀ \| 0 1/2 1/2 }
4	-z,-y,-x,+1	{ 2_-101 \| 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	-z,y+1/2,-x+1/2,+1	{ m₁₀₁ \| 0 1/2 1/2 }
7	x,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 0 1/2 1/2 }
8	z,y,x,+1	{ m_-101 \| 0 }
(1/2,0,1/2) + set click here to show and hide
9	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
10	z+1/2,-y+1/2,x,+1	{ 2₁₀₁ \| 1/2 1/2 0 }
11	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
12	-z+1/2,-y,-x+1/2,+1	{ 2_-101 \| 1/2 0 1/2 }
13	-x+1/2,-y,-z+1/2,+1	{ -1 \| 1/2 0 1/2 }
14	-z+1/2,y+1/2,-x,+1	{ m₁₀₁ \| 1/2 1/2 0 }
15	x+1/2,-y+1/2,z,+1	{ m₀₁₀ \| 1/2 1/2 0 }
16	z+1/2,y,x+1/2,+1	{ m_-101 \| 1/2 0 1/2 }
(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	z,-y,x,-1	{ 2'₁₀₁ \| 0 }
19	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
20	-z,-y+1/2,-x+1/2,-1	{ 2'_-101 \| 0 1/2 1/2 }
21	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
22	-z,y,-x,-1	{ m'₁₀₁ \| 0 }
23	x,-y,z,-1	{ m'₀₁₀ \| 0 }
24	z,y+1/2,x+1/2,-1	{ m'_-101 \| 0 1/2 1/2 }
(1/2,1/2,0)' + set click here to show and hide
25	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
26	z+1/2,-y,x+1/2,-1	{ 2'₁₀₁ \| 1/2 0 1/2 }
27	-x+1/2,y,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 0 1/2 }
28	-z+1/2,-y+1/2,-x,-1	{ 2'_-101 \| 1/2 1/2 0 }
29	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
30	-z+1/2,y,-x+1/2,-1	{ m'₁₀₁ \| 1/2 0 1/2 }
31	x+1/2,-y,z+1/2,-1	{ m'₀₁₀ \| 1/2 0 1/2 }
32	z+1/2,y+1/2,x,-1	{ m'_-101 \| 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	z,-y,x,+1	2₁₀₁
3	-x,y,-z,+1	2₀₁₀
4	-z,-y,-x,+1	2_-101
5	-x,-y,-z,+1	-1
6	-z,y,-x,+1	m₁₀₁
7	x,-y,z,+1	m₀₁₀
8	z,y,x,+1	m_-101
1' + set click here to show and hide
9	x,y,z,-1	1'
10	z,-y,x,-1	2'₁₀₁
11	-x,y,-z,-1	2'₀₁₀
12	-z,-y,-x,-1	2'_-101
13	-x,-y,-z,-1	-1'
14	-z,y,-x,-1	m'₁₀₁
15	x,-y,z,-1	m'₀₁₀
16	z,y,x,-1	m'_-101

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.0000	0.0000	0.0000	4	m_x,0,-m_x	1.13	0.0	-1.13	1.60
Dy1	Dy	0.5000	0.5000	0.5000	4	m_x,0,-m_x	3.61	0.0	-3.61	5.11

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.2500	0.2500	0.2500	8
O1	O	0.2349	0.0000	0.0000	16
O2	O	0.0000	0.2349	0.0000	8

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 Ru1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,0,-m_x	1.13000	0.00000	-1.13000
(1/2,0,1/2) + set click here to show and hide
2	0.50000	0.00000	0.50000	m_x,0,-m_x	1.13000	0.00000	-1.13000
(0,1/2,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.50000	-m_x,0,m_x	-1.13000	0.00000	1.13000
(1/2,1/2,0)' + set click here to show and hide
4	0.50000	0.50000	0.00000	-m_x,0,m_x	-1.13000	0.00000	1.13000

Set of atoms in the unit cell related by symmetry with the magnetic atom Dy1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.50000	0.50000	0.50000	m_x,0,-m_x	3.61000	0.00000	-3.61000
(1/2,0,1/2) + set click here to show and hide
2	0.00000	0.50000	0.00000	m_x,0,-m_x	3.61000	0.00000	-3.61000
(0,1/2,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.00000	-m_x,0,m_x	-3.61000	0.00000	3.61000
(1/2,1/2,0)' + set click here to show and hide
4	0.00000	0.00000	0.50000	-m_x,0,m_x	-3.61000	0.00000	3.61000

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

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

Atom	x	y	z
1	0.23490	0.00000	0.00000
2	0.00000	0.50000	0.73490
3	0.76510	0.50000	0.50000
4	0.00000	0.00000	0.76510
(1/2,0,1/2) + set click here to show and hide
5	0.73490	0.00000	0.50000
6	0.50000	0.50000	0.23490
7	0.26510	0.50000	0.00000
8	0.50000	0.00000	0.26510
(0,1/2,1/2)' + set click here to show and hide
9	0.23490	0.50000	0.50000
10	0.00000	0.00000	0.23490
11	0.76510	0.00000	0.00000
12	0.00000	0.50000	0.26510
(1/2,1/2,0)' + set click here to show and hide
13	0.73490	0.50000	0.00000
14	0.50000	0.00000	0.73490
15	0.26510	0.00000	0.50000
16	0.50000	0.50000	0.76510

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

Atom	x	y	z
1	0.00000	0.23490	0.00000
2	0.00000	0.26510	0.50000
(1/2,0,1/2) + set click here to show and hide
3	0.50000	0.23490	0.50000
4	0.50000	0.26510	0.00000
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.73490	0.50000
6	0.00000	0.76510	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.73490	0.00000
8	0.50000	0.76510	0.50000

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Ru1	Ru	0.0000	0.0000	0.0000	4	m_x,0,-m_x	1.13	0.0	-1.13	1.60
Dy1	Dy	0.5000	0.5000	0.5000	4	m_x,0,-m_x	3.61	0.0	-3.61	5.11

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mX5+	6	2	special	primary	2

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