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	{ -1' \| 0 }
3	-x,y,z,+1	{ m₁₀₀ \| 0 }
4	x,-y,z,+1	{ m₀₁₀ \| 0 }
5	x,y,-z,-1	{ m'₀₀₁ \| 0 }
6	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
7	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
8	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	-x+1/2,-y+1/2,-z+1/2,-1	{ -1' \| 1/2 1/2 1/2 }
11	-x+1/2,y+1/2,z+1/2,+1	{ m₁₀₀ \| 1/2 1/2 1/2 }
12	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }
13	x+1/2,y+1/2,-z+1/2,-1	{ m'₀₀₁ \| 1/2 1/2 1/2 }
14	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
15	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
16	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
(0,0,1/2)' + set click here to show and hide
17	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
18	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
19	-x,y,z+1/2,-1	{ m'₁₀₀ \| 0 0 1/2 }
20	x,-y,z+1/2,-1	{ m'₀₁₀ \| 0 0 1/2 }
21	x,y,-z+1/2,+1	{ m₀₀₁ \| 0 0 1/2 }
22	x,-y,-z+1/2,+1	{ 2₁₀₀ \| 0 0 1/2 }
23	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
24	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 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	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
27	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
28	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
29	x+1/2,y+1/2,-z,+1	{ m₀₀₁ \| 1/2 1/2 0 }
30	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
31	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
32	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }

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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
3	-x,y,z,+1	m₁₀₀
4	x,-y,z,+1	m₀₁₀
7	-x,-y,z,+1	2₀₀₁
10	-x,-y,-z,+1	-1
13	x,y,-z,+1	m₀₀₁
14	x,-y,-z,+1	2₁₀₀
16	-x,y,-z,+1	2₀₁₀
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,y,z,-1	m'₁₀₀
11	x,-y,z,-1	m'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	x,-y,-z,-1	2'₁₀₀
16	-x,y,-z,-1	2'₀₁₀

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.11845	0.00000	0.00000	8	0,m_y,0	0.0	3.43(15)	0.0	3.43
Mn2	Mn	0.37336	0.00000	0.00000	8	0,m_y,0	0.0	3.05(15)	0.0	3.05

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
La	La	0.00000	0.26662	0.25000	8
Ba	Ba	0.25000	0.25000	0.25000	8
O1	O	0.10748	0.23044	0.00000	16
O2	O	0.25171	0.00000	0.00000	8
O3	O	0.09588	0.00000	0.25000	8
O4	O	0.38268	0.00000	0.25000	8
O5	O	0.50000	0.00000	0.00000	4

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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.11845	0.00000	0.00000	0,m_y,0	0.00000	3.43000	0.00000
2	0.88155	0.00000	0.00000	0,-m_y,0	0.00000	-3.43000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.61845	0.50000	0.50000	0,m_y,0	0.00000	3.43000	0.00000
4	0.38155	0.50000	0.50000	0,-m_y,0	0.00000	-3.43000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.11845	0.00000	0.50000	0,-m_y,0	0.00000	-3.43000	0.00000
6	0.88155	0.00000	0.50000	0,m_y,0	0.00000	3.43000	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.61845	0.50000	0.00000	0,-m_y,0	0.00000	-3.43000	0.00000
8	0.38155	0.50000	0.00000	0,m_y,0	0.00000	3.43000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.37336	0.00000	0.00000	0,m_y,0	0.00000	3.05000	0.00000
2	0.62664	0.00000	0.00000	0,-m_y,0	0.00000	-3.05000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.87336	0.50000	0.50000	0,m_y,0	0.00000	3.05000	0.00000
4	0.12664	0.50000	0.50000	0,-m_y,0	0.00000	-3.05000	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.37336	0.00000	0.50000	0,-m_y,0	0.00000	-3.05000	0.00000
6	0.62664	0.00000	0.50000	0,m_y,0	0.00000	3.05000	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.87336	0.50000	0.00000	0,-m_y,0	0.00000	-3.05000	0.00000
8	0.12664	0.50000	0.00000	0,m_y,0	0.00000	3.05000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.26662	0.25000
2	0.00000	0.73338	0.75000
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.76662	0.75000
4	0.50000	0.23338	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.26662	0.75000
6	0.00000	0.73338	0.25000
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.76662	0.25000
8	0.50000	0.23338	0.75000

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

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

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

Atom	x	y	z
1	0.10748	0.23044	0.00000
2	0.89252	0.76956	0.00000
3	0.89252	0.23044	0.00000
4	0.10748	0.76956	0.00000
(1/2,1/2,1/2) + set click here to show and hide
5	0.60748	0.73044	0.50000
6	0.39252	0.26956	0.50000
7	0.39252	0.73044	0.50000
8	0.60748	0.26956	0.50000
(0,0,1/2)' + set click here to show and hide
9	0.10748	0.23044	0.50000
10	0.89252	0.76956	0.50000
11	0.89252	0.23044	0.50000
12	0.10748	0.76956	0.50000
(1/2,1/2,0)' + set click here to show and hide
13	0.60748	0.73044	0.00000
14	0.39252	0.26956	0.00000
15	0.39252	0.73044	0.00000
16	0.60748	0.26956	0.00000

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

Atom	x	y	z
1	0.25171	0.00000	0.00000
2	0.74829	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.75171	0.50000	0.50000
4	0.24829	0.50000	0.50000
(0,0,1/2)' + set click here to show and hide
5	0.25171	0.00000	0.50000
6	0.74829	0.00000	0.50000
(1/2,1/2,0)' + set click here to show and hide
7	0.75171	0.50000	0.00000
8	0.24829	0.50000	0.00000

Set of atoms in the unit cell related by symmetry with the atom O3:

Atom	x	y	z
1	0.09588	0.00000	0.25000
2	0.90412	0.00000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
3	0.59588	0.50000	0.75000
4	0.40412	0.50000	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.09588	0.00000	0.75000
6	0.90412	0.00000	0.25000
(1/2,1/2,0)' + set click here to show and hide
7	0.59588	0.50000	0.25000
8	0.40412	0.50000	0.75000

Set of atoms in the unit cell related by symmetry with the atom O4:

Atom	x	y	z
1	0.38268	0.00000	0.25000
2	0.61732	0.00000	0.75000
(1/2,1/2,1/2) + set click here to show and hide
3	0.88268	0.50000	0.75000
4	0.11732	0.50000	0.25000
(0,0,1/2)' + set click here to show and hide
5	0.38268	0.00000	0.75000
6	0.61732	0.00000	0.25000
(1/2,1/2,0)' + set click here to show and hide
7	0.88268	0.50000	0.25000
8	0.11732	0.50000	0.75000

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1	0.50000	0.00000	0.00000
(1/2,1/2,1/2) + set click here to show and hide
2	0.00000	0.50000	0.50000
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.50000
(1/2,1/2,0)' + set click here to show and hide
4	0.00000	0.50000	0.00000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.11845	0.00000	0.00000	8	0,m_y,0	0.0	3.43(15)	0.0	3.43
Mn2	Mn	0.37336	0.00000	0.00000	8	0,m_y,0	0.0	3.05(15)	0.0	3.05

label	dim. small irrep	dim. full irrep	action	number of modes
mT2-	1	1	primary	2

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