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

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N	(x,y,z)	Seitz notation
1	x,y,z,+1	1
2	-x,-y,z,+1	2₀₀₁
3	y,x,z,+1	m_1-10
4	-y,-x,z,+1	m₁₁₀
5	-y,-x,-z,-1	2'_1-10
6	y,x,-z,-1	2'₁₁₀
7	-x,-y,-z,-1	-1'
8	x,y,-z,-1	m'₀₀₁

Magnetic atoms:

Label	Atom type	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.25000	0.25000	8	0,0,m_z	0.0	0.0	3.617(7)	3.62
Mn1_2	Mn	0.75000	0.25000	8	0,0,m_z	0.0	0.0	3.617(7)	3.62
Mn2	Mn	0.00000	0.00000	8	m_x,-m_x,0	2.52	-2.52	0.0	3.56

Non-magnetic atoms:

Label	Atom type	y	z	Multiplicity
Ba1	Ba	0.00000	0.41700	16
Sb1	Sb	0.00000	0.16800	16
O1_1	O	0.25000	0.00000	8
O1_2	O	0.75000	0.00000	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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	3.61700
2	0.50000	0.75000	0.75000	0,0,-m_z	0.00000	0.00000	-3.61700
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	3.61700
4	0.75000	0.50000	0.25000	0,0,-m_z	0.00000	0.00000	-3.61700
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	3.61700
6	0.00000	0.25000	0.75000	0,0,-m_z	0.00000	0.00000	-3.61700
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.50000	0.75000	0,0,m_z	0.00000	0.00000	3.61700
8	0.25000	0.00000	0.25000	0,0,-m_z	0.00000	0.00000	-3.61700

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	3.61700
2	0.00000	0.75000	0.75000	0,0,-m_z	0.00000	0.00000	-3.61700
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.50000	0.75000	0,0,m_z	0.00000	0.00000	3.61700
4	0.25000	0.50000	0.25000	0,0,-m_z	0.00000	0.00000	-3.61700
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	3.61700
6	0.50000	0.25000	0.75000	0,0,-m_z	0.00000	0.00000	-3.61700
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	3.61700
8	0.75000	0.00000	0.25000	0,0,-m_z	0.00000	0.00000	-3.61700

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	0.00000	0.00000	0.00000	m_x,-m_x,0	2.52000	-2.52000	0.00000
2	0.50000	0.00000	0.00000	-m_x,m_x,0	-2.52000	2.52000	0.00000
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.50000	m_x,-m_x,0	2.52000	-2.52000	0.00000
4	0.75000	0.75000	0.50000	-m_x,m_x,0	-2.52000	2.52000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.00000	m_x,-m_x,0	2.52000	-2.52000	0.00000
6	0.00000	0.50000	0.00000	-m_x,m_x,0	-2.52000	2.52000	0.00000
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.50000	m_x,-m_x,0	2.52000	-2.52000	0.00000
8	0.25000	0.25000	0.50000	-m_x,m_x,0	-2.52000	2.52000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.41700
2	0.50000	0.00000	0.41700
3	0.25000	0.25000	0.08300
4	0.25000	0.75000	0.08300
(1/4,3/4,1/2) + set click here to show and hide
5	0.25000	0.75000	0.91700
6	0.75000	0.75000	0.91700
7	0.50000	0.00000	0.58300
8	0.50000	0.50000	0.58300
(1/2,1/2,0) + set click here to show and hide
9	0.50000	0.50000	0.41700
10	0.00000	0.50000	0.41700
11	0.75000	0.75000	0.08300
12	0.75000	0.25000	0.08300
(3/4,1/4,1/2) + set click here to show and hide
13	0.75000	0.25000	0.91700
14	0.25000	0.25000	0.91700
15	0.00000	0.50000	0.58300
16	0.00000	0.00000	0.58300

Set of atoms in the unit cell related by symmetry with the atom Sb1:

Atom	x	y	z
1	0.00000	0.00000	0.16800
2	0.50000	0.00000	0.16800
3	0.25000	0.25000	0.33200
4	0.25000	0.75000	0.33200
(1/4,3/4,1/2) + set click here to show and hide
5	0.25000	0.75000	0.66800
6	0.75000	0.75000	0.66800
7	0.50000	0.00000	0.83200
8	0.50000	0.50000	0.83200
(1/2,1/2,0) + set click here to show and hide
9	0.50000	0.50000	0.16800
10	0.00000	0.50000	0.16800
11	0.75000	0.75000	0.33200
12	0.75000	0.25000	0.33200
(3/4,1/4,1/2) + set click here to show and hide
13	0.75000	0.25000	0.66800
14	0.25000	0.25000	0.66800
15	0.00000	0.50000	0.83200
16	0.00000	0.00000	0.83200

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

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

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

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

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Label	Atom type	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1_1	Mn	0.25000	0.25000	8	0,0,m_z	0.0	0.0	3.617(7)	3.62
Mn1_2	Mn	0.75000	0.25000	8	0,0,m_z	0.0	0.0	3.617(7)	3.62
Mn2	Mn	0.00000	0.00000	8	m_x,-m_x,0	2.52	-2.52	0.0	3.56

[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 Mn1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	3.61700
2	0.50000	0.75000	0.75000	0,0,-m_z	0.00000	0.00000	-3.61700
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	3.61700
4	0.75000	0.50000	0.25000	0,0,-m_z	0.00000	0.00000	-3.61700
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	3.61700
6	0.00000	0.25000	0.75000	0,0,-m_z	0.00000	0.00000	-3.61700
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.50000	0.75000	0,0,m_z	0.00000	0.00000	3.61700
8	0.25000	0.00000	0.25000	0,0,-m_z	0.00000	0.00000	-3.61700

Set of atoms in the unit cell related by symmetry with the magnetic atom Mn1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.75000	0.25000	0,0,m_z	0.00000	0.00000	3.61700
2	0.00000	0.75000	0.75000	0,0,-m_z	0.00000	0.00000	-3.61700
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.50000	0.75000	0,0,m_z	0.00000	0.00000	3.61700
4	0.25000	0.50000	0.25000	0,0,-m_z	0.00000	0.00000	-3.61700
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.25000	0.25000	0,0,m_z	0.00000	0.00000	3.61700
6	0.50000	0.25000	0.75000	0,0,-m_z	0.00000	0.00000	-3.61700
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	3.61700
8	0.75000	0.00000	0.25000	0,0,-m_z	0.00000	0.00000	-3.61700

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	0.00000	0.00000	0.00000	m_x,-m_x,0	2.52000	-2.52000	0.00000
2	0.50000	0.00000	0.00000	-m_x,m_x,0	-2.52000	2.52000	0.00000
(1/4,3/4,1/2) + set click here to show and hide
3	0.25000	0.75000	0.50000	m_x,-m_x,0	2.52000	-2.52000	0.00000
4	0.75000	0.75000	0.50000	-m_x,m_x,0	-2.52000	2.52000	0.00000
(1/2,1/2,0) + set click here to show and hide
5	0.50000	0.50000	0.00000	m_x,-m_x,0	2.52000	-2.52000	0.00000
6	0.00000	0.50000	0.00000	-m_x,m_x,0	-2.52000	2.52000	0.00000
(3/4,1/4,1/2) + set click here to show and hide
7	0.75000	0.25000	0.50000	m_x,-m_x,0	2.52000	-2.52000	0.00000
8	0.25000	0.25000	0.50000	-m_x,m_x,0	-2.52000	2.52000	0.00000

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label	dim. small irrep	dim. full irrep	action	number of modes
mGM2-	1	1	primary	1
mX3+	1	2	primary	2

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

Ba₂Mn₃Sb₂O₂ (#2.53)

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

Ba2Mn3Sb2O2 (#2.53)

Ba₂Mn₃Sb₂O₂ (#2.53)