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+1/4,y+1/2,-z+1/4,+1	{ 2₀₁₀ \| 1/4 1/2 1/4 }
3	-x+1/2,-y,-z,+1	{ -1 \| 1/2 0 0 }
4	x+3/4,-y+1/2,z+1/4,+1	{ m₀₁₀ \| 3/4 1/2 1/4 }
(1/2,0,1/2) + set click here to show and hide
5	x+1/2,y,z+1/2,+1	{ 1 \| 1/2 0 1/2 }
6	-x+3/4,y+1/2,-z+3/4,+1	{ 2₀₁₀ \| 3/4 1/2 3/4 }
7	-x,-y,-z+1/2,+1	{ -1 \| 0 0 1/2 }
8	x+1/4,-y+1/2,z+3/4,+1	{ m₀₁₀ \| 1/4 1/2 3/4 }
(1/2,0,0)' + set click here to show and hide
9	x+1/2,y,z,-1	{ 1' \| 1/2 0 0 }
10	-x+3/4,y+1/2,-z+1/4,-1	{ 2'₀₁₀ \| 3/4 1/2 1/4 }
11	-x,-y,-z,-1	{ -1' \| 0 }
12	x+1/4,-y+1/2,z+1/4,-1	{ m'₀₁₀ \| 1/4 1/2 1/4 }
(0,0,1/2)' + set click here to show and hide
13	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
14	-x+1/4,y+1/2,-z+3/4,-1	{ 2'₀₁₀ \| 1/4 1/2 3/4 }
15	-x+1/2,-y,-z+1/2,-1	{ -1' \| 1/2 0 1/2 }
16	x+3/4,-y+1/2,z+3/4,-1	{ m'₀₁₀ \| 3/4 1/2 3/4 }

[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	-x,y,-z,+1	2₀₁₀
3	-x,-y,-z,+1	-1
4	x,-y,z,+1	m₀₁₀
1' + set click here to show and hide
5	x,y,z,-1	1'
6	-x,y,-z,-1	2'₀₁₀
7	-x,-y,-z,-1	-1'
8	x,-y,z,-1	m'₀₁₀

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.25000	0.00000	0.00000	8	m_x,m_y,m_z	1.7(3)	3.5(3)	1.5(5)	4.17

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.49810	0.01760	0.12490	16
Mo1	Mo	0.25000	0.00000	0.25000	8
O1	O	0.02730	0.49370	0.11815	16
O2	O	0.36820	0.28910	0.01405	16
O3	O	0.10340	0.23280	0.48645	16

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	0.25000	0.00000	0.00000	m_x,m_y,m_z	1.70000	3.50000	1.50000
2	0.00000	0.50000	0.25000	-m_x,m_y,-m_z	-1.70000	3.50000	-1.50000
(1/2,0,1/2) + set click here to show and hide
3	0.75000	0.00000	0.50000	m_x,m_y,m_z	1.70000	3.50000	1.50000
4	0.50000	0.50000	0.75000	-m_x,m_y,-m_z	-1.70000	3.50000	-1.50000
(1/2,0,0)' + set click here to show and hide
5	0.75000	0.00000	0.00000	-m_x,-m_y,-m_z	-1.70000	-3.50000	-1.50000
6	0.50000	0.50000	0.25000	m_x,-m_y,m_z	1.70000	-3.50000	1.50000
(0,0,1/2)' + set click here to show and hide
7	0.25000	0.00000	0.50000	-m_x,-m_y,-m_z	-1.70000	-3.50000	-1.50000
8	0.00000	0.50000	0.75000	m_x,-m_y,m_z	1.70000	-3.50000	1.50000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Sr1:

Atom	x	y	z
1	0.49810	0.01760	0.12490
2	0.75190	0.51760	0.12510
3	0.00190	0.98240	0.87510
4	0.24810	0.48240	0.37490
(1/2,0,1/2) + set click here to show and hide
5	0.99810	0.01760	0.62490
6	0.25190	0.51760	0.62510
7	0.50190	0.98240	0.37510
8	0.74810	0.48240	0.87490
(1/2,0,0)' + set click here to show and hide
9	0.99810	0.01760	0.12490
10	0.25190	0.51760	0.12510
11	0.50190	0.98240	0.87510
12	0.74810	0.48240	0.37490
(0,0,1/2)' + set click here to show and hide
13	0.49810	0.01760	0.62490
14	0.75190	0.51760	0.62510
15	0.00190	0.98240	0.37510
16	0.24810	0.48240	0.87490

Set of atoms in the unit cell related by symmetry with the atom Mo1:

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

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

Atom	x	y	z
1	0.02730	0.49370	0.11815
2	0.22270	0.99370	0.13185
3	0.47270	0.50630	0.88185
4	0.77730	0.00630	0.36815
(1/2,0,1/2) + set click here to show and hide
5	0.52730	0.49370	0.61815
6	0.72270	0.99370	0.63185
7	0.97270	0.50630	0.38185
8	0.27730	0.00630	0.86815
(1/2,0,0)' + set click here to show and hide
9	0.52730	0.49370	0.11815
10	0.72270	0.99370	0.13185
11	0.97270	0.50630	0.88185
12	0.27730	0.00630	0.36815
(0,0,1/2)' + set click here to show and hide
13	0.02730	0.49370	0.61815
14	0.22270	0.99370	0.63185
15	0.47270	0.50630	0.38185
16	0.77730	0.00630	0.86815

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

Atom	x	y	z
1	0.36820	0.28910	0.01405
2	0.88180	0.78910	0.23595
3	0.13180	0.71090	0.98595
4	0.11820	0.21090	0.26405
(1/2,0,1/2) + set click here to show and hide
5	0.86820	0.28910	0.51405
6	0.38180	0.78910	0.73595
7	0.63180	0.71090	0.48595
8	0.61820	0.21090	0.76405
(1/2,0,0)' + set click here to show and hide
9	0.86820	0.28910	0.01405
10	0.38180	0.78910	0.23595
11	0.63180	0.71090	0.98595
12	0.61820	0.21090	0.26405
(0,0,1/2)' + set click here to show and hide
13	0.36820	0.28910	0.51405
14	0.88180	0.78910	0.73595
15	0.13180	0.71090	0.48595
16	0.11820	0.21090	0.76405

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

Atom	x	y	z
1	0.10340	0.23280	0.48645
2	0.14660	0.73280	0.76355
3	0.39660	0.76720	0.51355
4	0.85340	0.26720	0.73645
(1/2,0,1/2) + set click here to show and hide
5	0.60340	0.23280	0.98645
6	0.64660	0.73280	0.26355
7	0.89660	0.76720	0.01355
8	0.35340	0.26720	0.23645
(1/2,0,0)' + set click here to show and hide
9	0.60340	0.23280	0.48645
10	0.64660	0.73280	0.76355
11	0.89660	0.76720	0.51355
12	0.35340	0.26720	0.73645
(0,0,1/2)' + set click here to show and hide
13	0.10340	0.23280	0.98645
14	0.14660	0.73280	0.26355
15	0.39660	0.76720	0.01355
16	0.85340	0.26720	0.23645

[Hide]

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.25000	0.00000	0.00000	8	m_x,m_y,m_z	1.7(3)	3.5(3)	1.5(5)	4.17

label	dim. small irrep	dim. full irrep	action	number of modes
mY1-	1	1	primary	3

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