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+1/2,z+1/2,+1	{ 2₀₀₁ \| 0 1/2 1/2 }
3	-y,-x+1/2,-z+1/2,+1	{ 2_1-10 \| 0 1/2 1/2 }
4	y,x,-z,+1	{ 2₁₁₀ \| 0 }
5	-x,-y,-z,+1	{ -1 \| 0 }
6	x,y+1/2,-z+1/2,+1	{ m₀₀₁ \| 0 1/2 1/2 }
7	y,x+1/2,z+1/2,+1	{ m_1-10 \| 0 1/2 1/2 }
8	-y,-x,z,+1	{ m₁₁₀ \| 0 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
10	-x+1/2,-y,z+1/2,+1	{ 2₀₀₁ \| 1/2 0 1/2 }
11	-y+1/2,-x,-z+1/2,+1	{ 2_1-10 \| 1/2 0 1/2 }
12	y+1/2,x+1/2,-z,+1	{ 2₁₁₀ \| 1/2 1/2 0 }
13	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
14	x+1/2,y,-z+1/2,+1	{ m₀₀₁ \| 1/2 0 1/2 }
15	y+1/2,x,z+1/2,+1	{ m_1-10 \| 1/2 0 1/2 }
16	-y+1/2,-x+1/2,z,+1	{ m₁₁₀ \| 1/2 1/2 0 }
(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,z,-1	{ 2'₀₀₁ \| 0 }
19	-y,-x,-z,-1	{ 2'_1-10 \| 0 }
20	y,x+1/2,-z+1/2,-1	{ 2'₁₁₀ \| 0 1/2 1/2 }
21	-x,-y+1/2,-z+1/2,-1	{ -1' \| 0 1/2 1/2 }
22	x,y,-z,-1	{ m'₀₀₁ \| 0 }
23	y,x,z,-1	{ m'_1-10 \| 0 }
24	-y,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 0 1/2 1/2 }
(1/2,0,1/2)' + set click here to show and hide
25	x+1/2,y,z+1/2,-1	{ 1' \| 1/2 0 1/2 }
26	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
27	-y+1/2,-x+1/2,-z,-1	{ 2'_1-10 \| 1/2 1/2 0 }
28	y+1/2,x,-z+1/2,-1	{ 2'₁₁₀ \| 1/2 0 1/2 }
29	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
30	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }
31	y+1/2,x+1/2,z,-1	{ m'_1-10 \| 1/2 1/2 0 }
32	-y+1/2,-x,z+1/2,-1	{ m'₁₁₀ \| 1/2 0 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	2₀₀₁
3	-y,-x,-z,+1	2_1-10
4	y,x,-z,+1	2₁₁₀
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	y,x,z,+1	m_1-10
8	-y,-x,z,+1	m₁₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	-y,-x,-z,-1	2'_1-10
12	y,x,-z,-1	2'₁₁₀
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	y,x,z,-1	m'_1-10
16	-y,-x,z,-1	m'₁₁₀

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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	0.50000	0.50000	0.50000	4	m_x,m_x,0	3.135	3.135	0.0	4.43
Ru1	Ru	0.00000	0.00000	0.00000	4	m_x,m_x,0	2.03	2.03	0.0	2.87

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.25000	0.25000	0.25000	8
O1_1	O	0.23510	0.00000	0.00000	16
O1_2	O	0.00000	0.00000	0.23510	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 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_x,0	3.13500	3.13500	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.00000	0.00000	0.50000	m_x,m_x,0	3.13500	3.13500	0.00000
(0,1/2,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.00000	-m_x,-m_x,0	-3.13500	-3.13500	0.00000
(1/2,0,1/2)' + set click here to show and hide
4	0.00000	0.50000	0.00000	-m_x,-m_x,0	-3.13500	-3.13500	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_x,0	2.03000	2.03000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.50000	0.00000	m_x,m_x,0	2.03000	2.03000	0.00000
(0,1/2,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.50000	-m_x,-m_x,0	-2.03000	-2.03000	0.00000
(1/2,0,1/2)' + set click here to show and hide
4	0.50000	0.00000	0.50000	-m_x,-m_x,0	-2.03000	-2.03000	0.00000

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	0.23510	0.00000	0.00000
2	0.76490	0.50000	0.50000
3	0.00000	0.26490	0.50000
4	0.00000	0.23510	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.73510	0.50000	0.00000
6	0.26490	0.00000	0.50000
7	0.50000	0.76490	0.50000
8	0.50000	0.73510	0.00000
(0,1/2,1/2)' + set click here to show and hide
9	0.23510	0.50000	0.50000
10	0.76490	0.00000	0.00000
11	0.00000	0.76490	0.00000
12	0.00000	0.73510	0.50000
(1/2,0,1/2)' + set click here to show and hide
13	0.73510	0.00000	0.50000
14	0.26490	0.50000	0.00000
15	0.50000	0.26490	0.00000
16	0.50000	0.23510	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	0.23510
2	0.00000	0.50000	0.26490
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.50000	0.23510
4	0.50000	0.00000	0.26490
(0,1/2,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.73510
6	0.00000	0.00000	0.76490
(1/2,0,1/2)' + set click here to show and hide
7	0.50000	0.00000	0.73510
8	0.50000	0.50000	0.76490

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Er1	Er	0.50000	0.50000	0.50000	4	m_x,m_x,0	3.135	3.135	0.0	4.43
Ru1	Ru	0.00000	0.00000	0.00000	4	m_x,m_x,0	2.03	2.03	0.0	2.87

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