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	-y,x,z,+1	{ 4⁺₀₀₁ \| 0 }
3	y,-x,z,+1	{ 4^-₀₀₁ \| 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x+1/2,-y+1/2,-z+1/4,+1	{ -1 \| 1/2 1/2 1/4 }
6	y+1/2,-x+1/2,-z+1/4,+1	{ -4⁺₀₀₁ \| 1/2 1/2 1/4 }
7	-y+1/2,x+1/2,-z+1/4,+1	{ -4^-₀₀₁ \| 1/2 1/2 1/4 }
8	x+1/2,y+1/2,-z+1/4,+1	{ m₀₀₁ \| 1/2 1/2 1/4 }
(0,0,1/2)' + set click here to show and hide
9	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
10	-y,x,z+1/2,-1	{ 4'⁺₀₀₁ \| 0 0 1/2 }
11	y,-x,z+1/2,-1	{ 4'^-₀₀₁ \| 0 0 1/2 }
12	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
13	-x+1/2,-y+1/2,-z+3/4,-1	{ -1' \| 1/2 1/2 3/4 }
14	y+1/2,-x+1/2,-z+3/4,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 3/4 }
15	-y+1/2,x+1/2,-z+3/4,-1	{ -4'^-₀₀₁ \| 1/2 1/2 3/4 }
16	x+1/2,y+1/2,-z+3/4,-1	{ m'₀₀₁ \| 1/2 1/2 3/4 }

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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
2	-x,-y,z,+1	2₀₀₁
3	-y,x,z,+1	4⁺₀₀₁
4	y,-x,z,+1	4^-₀₀₁
5	-x,-y,-z,+1	-1
6	x,y,-z,+1	m₀₀₁
7	y,-x,-z,+1	-4⁺₀₀₁
8	-y,x,-z,+1	-4^-₀₀₁
1' + set click here to show and hide
9	x,y,z,-1	1'
10	-x,-y,z,-1	2'₀₀₁
11	-y,x,z,-1	4'⁺₀₀₁
12	y,-x,z,-1	4'^-₀₀₁
13	-x,-y,-z,-1	-1'
14	x,y,-z,-1	m'₀₀₁
15	y,-x,-z,-1	-4'⁺₀₀₁
16	-y,x,-z,-1	-4'^-₀₀₁

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Magnetic atoms:

Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	-3.07(5)	3.07
Os1	Os	0.00000	0.00000	0.25000	4	0,0,m_z	0.0	0.0	0.68(9)	0.68

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1_1	Sr	0.00000	0.50000	0.12500	4
Sr1_2	Sr	0.50000	0.00000	0.37500	4
O1_1	O	0.00000	0.00000	0.12595	4
O1_2	O	0.00000	0.00000	0.37405	4
O2	O	0.28270	0.21840	0.00000	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 Fe1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.00000	0,0,m_z	0.00000	0.00000	-3.07000
2	0.50000	0.50000	0.25000	0,0,m_z	0.00000	0.00000	-3.07000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	3.07000
4	0.50000	0.50000	0.75000	0,0,-m_z	0.00000	0.00000	3.07000

Set of atoms in the unit cell related by symmetry with the magnetic atom Os1:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.00000	0.00000	0.25000	0,0,m_z	0.00000	0.00000	0.68000
2	0.50000	0.50000	0.00000	0,0,m_z	0.00000	0.00000	0.68000
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.75000	0,0,-m_z	0.00000	0.00000	-0.68000
4	0.50000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-0.68000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.50000	0.12500
2	0.50000	0.00000	0.12500
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.50000	0.62500
4	0.50000	0.00000	0.62500

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

Atom	x	y	z
1	0.50000	0.00000	0.37500
2	0.00000	0.50000	0.37500
(0,0,1/2)' + set click here to show and hide
3	0.50000	0.00000	0.87500
4	0.00000	0.50000	0.87500

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

Atom	x	y	z
1	0.00000	0.00000	0.12595
2	0.50000	0.50000	0.12405
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.62595
4	0.50000	0.50000	0.62405

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

Atom	x	y	z
1	0.00000	0.00000	0.37405
2	0.50000	0.50000	0.87595
(0,0,1/2)' + set click here to show and hide
3	0.00000	0.00000	0.87405
4	0.50000	0.50000	0.37595

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

Atom	x	y	z
1	0.28270	0.21840	0.00000
2	0.78160	0.28270	0.00000
3	0.21840	0.71730	0.00000
4	0.71730	0.78160	0.00000
5	0.21730	0.28160	0.25000
6	0.71840	0.21730	0.25000
7	0.28160	0.78270	0.25000
8	0.78270	0.71840	0.25000
(0,0,1/2)' + set click here to show and hide
9	0.28270	0.21840	0.50000
10	0.78160	0.28270	0.50000
11	0.21840	0.71730	0.50000
12	0.71730	0.78160	0.50000
13	0.21730	0.28160	0.75000
14	0.71840	0.21730	0.75000
15	0.28160	0.78270	0.75000
16	0.78270	0.71840	0.75000

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	4	0,0,m_z	0.0	0.0	-3.07(5)	3.07
Os1	Os	0.00000	0.00000	0.25000	4	0,0,m_z	0.0	0.0	0.68(9)	0.68

label	dim. small irrep	dim. full irrep	action
mLD1	1	2	primary

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