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	{ 2₁₀₀ \| 0 }
3	-x,y,-z+1/2,-1	{ 2'₀₁₀ \| 0 0 1/2 }
4	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
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5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
7	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
8	-x+1/2,-y+1/2,z+1/2,-1	{ 2'₀₀₁ \| 1/2 1/2 1/2 }

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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	0.98770	0.33330	0.61310	8	m_x,m_y,m_z	0.0	2.27(1)	0.0	2.27

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.00960	0.00000	0.00000	4
Sr2	Sr	0.00000	0.33330	0.25000	4
O1	O	0.52120	0.00000	0.00000	4
O2	O	0.77120	0.25000	0.00850	8
O3	O	0.00000	0.82020	0.25000	4
O4	O	0.26960	0.08990	0.24120	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 Mn1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.98770	0.33330	0.61310	m_x,m_y,m_z	0.00000	2.27000	0.00000
2	0.98770	0.66670	0.38690	m_x,-m_y,-m_z	0.00000	-2.27000	0.00000
3	0.01230	0.33330	0.88690	m_x,-m_y,m_z	0.00000	-2.27000	0.00000
4	0.01230	0.66670	0.11310	m_x,m_y,-m_z	0.00000	2.27000	0.00000
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5	0.48770	0.83330	0.61310	m_x,m_y,m_z	0.00000	2.27000	0.00000
6	0.48770	0.16670	0.38690	m_x,-m_y,-m_z	0.00000	-2.27000	0.00000
7	0.51230	0.83330	0.88690	m_x,-m_y,m_z	0.00000	-2.27000	0.00000
8	0.51230	0.16670	0.11310	m_x,m_y,-m_z	0.00000	2.27000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00960	0.00000	0.00000
2	0.99040	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.50960	0.50000	0.00000
4	0.49040	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Sr2:

Atom	x	y	z
1	0.00000	0.33330	0.25000
2	0.00000	0.66670	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.83330	0.25000
4	0.50000	0.16670	0.75000

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

Atom	x	y	z
1	0.52120	0.00000	0.00000
2	0.47880	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.02120	0.50000	0.00000
4	0.97880	0.50000	0.50000

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

Atom	x	y	z
1	0.77120	0.25000	0.00850
2	0.77120	0.75000	0.99150
3	0.22880	0.25000	0.49150
4	0.22880	0.75000	0.50850
(1/2,1/2,0) + set click here to show and hide
5	0.27120	0.75000	0.00850
6	0.27120	0.25000	0.99150
7	0.72880	0.75000	0.49150
8	0.72880	0.25000	0.50850

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

Atom	x	y	z
1	0.00000	0.82020	0.25000
2	0.00000	0.17980	0.75000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.32020	0.25000
4	0.50000	0.67980	0.75000

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

Atom	x	y	z
1	0.26960	0.08990	0.24120
2	0.26960	0.91010	0.75880
3	0.73040	0.08990	0.25880
4	0.73040	0.91010	0.74120
(1/2,1/2,0) + set click here to show and hide
5	0.76960	0.58990	0.24120
6	0.76960	0.41010	0.75880
7	0.23040	0.58990	0.25880
8	0.23040	0.41010	0.74120

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Mn1	Mn	0.98770	0.33330	0.61310	8	m_x,m_y,m_z	0.0	2.27(1)	0.0	2.27

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3	1	1	primary	3

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