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+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
3	-x,-y,-z,+1	{ -1 \| 0 }
4	x,-y,z+1/2,+1	{ m₀₁₀ \| 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+1/2,+1	{ 2₀₁₀ \| 1/2 1/2 1/2 }
7	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
8	x+1/2,-y+1/2,z+1/2,+1	{ m₀₁₀ \| 1/2 1/2 1/2 }

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.00000	0.00000	0.00000	1.	4	m_x,m_y,m_z	3.26(3)	0.0	0.0	3.26
Fe1_2	Fe	0.16667	0.50000	0.33333	1.	8	m_x,m_y,m_z	-3.67(2)	0.0	0.0	3.67

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
La1_1	La	0.00000	0.00000	0.25000	0.333	4
La1_2	La	0.16667	0.50000	0.58333	0.333	8
Sr1_1	Sr	0.00000	0.00000	0.25000	0.667	4
Sr1_2	Sr	0.16667	0.50000	0.58333	0.667	8
O1_1	O	0.25906	0.25906	0.25000	1.	8
O1_2	O	0.00000	0.48188	0.25000	1.	4
O1_3	O	0.42573	0.75906	0.58333	1.	8
O1_4	O	0.90761	0.75906	0.58333	1.	8
O1_5	O	0.16667	0.98188	0.58333	1.	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 Fe1_1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	m_x,m_y,m_z	3.26000	0.00000	0.00000
2	0.00000	0.00000	0.50000	-m_x,m_y,-m_z	-3.26000	0.00000	0.00000
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3	0.50000	0.50000	0.00000	m_x,m_y,m_z	3.26000	0.00000	0.00000
4	0.50000	0.50000	0.50000	-m_x,m_y,-m_z	-3.26000	0.00000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe1_2:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.16667	0.50000	0.33333	m_x,m_y,m_z	-3.67000	0.00000	0.00000
2	0.83333	0.50000	0.16667	-m_x,m_y,-m_z	3.67000	0.00000	0.00000
3	0.83333	0.50000	0.66667	m_x,m_y,m_z	-3.67000	0.00000	0.00000
4	0.16667	0.50000	0.83333	-m_x,m_y,-m_z	3.67000	0.00000	0.00000
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5	0.66667	0.00000	0.33333	m_x,m_y,m_z	-3.67000	0.00000	0.00000
6	0.33333	0.00000	0.16667	-m_x,m_y,-m_z	3.67000	0.00000	0.00000
7	0.33333	0.00000	0.66667	m_x,m_y,m_z	-3.67000	0.00000	0.00000
8	0.66667	0.00000	0.83333	-m_x,m_y,-m_z	3.67000	0.00000	0.00000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom La1_1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000
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3	0.50000	0.50000	0.25000
4	0.50000	0.50000	0.75000

Set of atoms in the unit cell related by symmetry with the atom La1_2:

Atom	x	y	z
1	0.16667	0.50000	0.58333
2	0.83333	0.50000	0.91667
3	0.83333	0.50000	0.41667
4	0.16667	0.50000	0.08333
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5	0.66667	0.00000	0.58333
6	0.33333	0.00000	0.91667
7	0.33333	0.00000	0.41667
8	0.66667	0.00000	0.08333

Set of atoms in the unit cell related by symmetry with the atom Sr1_1:

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000
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3	0.50000	0.50000	0.25000
4	0.50000	0.50000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Sr1_2:

Atom	x	y	z
1	0.16667	0.50000	0.58333
2	0.83333	0.50000	0.91667
3	0.83333	0.50000	0.41667
4	0.16667	0.50000	0.08333
(1/2,1/2,0) + set click here to show and hide
5	0.66667	0.00000	0.58333
6	0.33333	0.00000	0.91667
7	0.33333	0.00000	0.41667
8	0.66667	0.00000	0.08333

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

Atom	x	y	z
1	0.25906	0.25906	0.25000
2	0.74094	0.25906	0.25000
3	0.74094	0.74094	0.75000
4	0.25906	0.74094	0.75000
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5	0.75906	0.75906	0.25000
6	0.24094	0.75906	0.25000
7	0.24094	0.24094	0.75000
8	0.75906	0.24094	0.75000

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

Atom	x	y	z
1	0.00000	0.48188	0.25000
2	0.00000	0.51812	0.75000
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3	0.50000	0.98188	0.25000
4	0.50000	0.01812	0.75000

Set of atoms in the unit cell related by symmetry with the atom O1_3:

Atom	x	y	z
1	0.42573	0.75906	0.58333
2	0.57427	0.75906	0.91667
3	0.57427	0.24094	0.41667
4	0.42573	0.24094	0.08333
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5	0.92573	0.25906	0.58333
6	0.07427	0.25906	0.91667
7	0.07427	0.74094	0.41667
8	0.92573	0.74094	0.08333

Set of atoms in the unit cell related by symmetry with the atom O1_4:

Atom	x	y	z
1	0.90761	0.75906	0.58333
2	0.09239	0.75906	0.91667
3	0.09239	0.24094	0.41667
4	0.90761	0.24094	0.08333
(1/2,1/2,0) + set click here to show and hide
5	0.40761	0.25906	0.58333
6	0.59239	0.25906	0.91667
7	0.59239	0.74094	0.41667
8	0.40761	0.74094	0.08333

Set of atoms in the unit cell related by symmetry with the atom O1_5:

Atom	x	y	z
1	0.16667	0.98188	0.58333
2	0.83333	0.98188	0.91667
3	0.83333	0.01812	0.41667
4	0.16667	0.01812	0.08333
(1/2,1/2,0) + set click here to show and hide
5	0.66667	0.48188	0.58333
6	0.33333	0.48188	0.91667
7	0.33333	0.51812	0.41667
8	0.66667	0.51812	0.08333

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1_1	Fe	0.00000	0.00000	0.00000	4	m_x,m_y,m_z	3.26(3)	0.0	0.0	3.26
Fe1_2	Fe	0.16667	0.50000	0.33333	8	m_x,m_y,m_z	-3.67(2)	0.0	0.0	3.67

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