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	{ 2₁₀₀ \| 0 0 1/2 }
3	-x,y,-z+1/2,+1	{ 2₀₁₀ \| 0 0 1/2 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	y+1/2,-x+1/2,-z+1/2,+1	{ -4⁺₀₀₁ \| 1/2 1/2 1/2 }
6	-y+1/2,x+1/2,-z+1/2,+1	{ -4^-₀₀₁ \| 1/2 1/2 1/2 }
7	-y+1/2,-x+1/2,z,+1	{ m₁₁₀ \| 1/2 1/2 0 }
8	y+1/2,x+1/2,z,+1	{ m_1-10 \| 1/2 1/2 0 }
(1/2,1/2,1/2) + set click here to show and hide
9	x+1/2,y+1/2,z+1/2,+1	{ 1 \| 1/2 1/2 1/2 }
10	x+1/2,-y+1/2,-z,+1	{ 2₁₀₀ \| 1/2 1/2 0 }
11	-x+1/2,y+1/2,-z,+1	{ 2₀₁₀ \| 1/2 1/2 0 }
12	-x+1/2,-y+1/2,z+1/2,+1	{ 2₀₀₁ \| 1/2 1/2 1/2 }
13	y,-x,-z,+1	{ -4⁺₀₀₁ \| 0 }
14	-y,x,-z,+1	{ -4^-₀₀₁ \| 0 }
15	-y,-x,z+1/2,+1	{ m₁₁₀ \| 0 0 1/2 }
16	y,x,z+1/2,+1	{ m_1-10 \| 0 0 1/2 }
(0,0,1/2)' + set click here to show and hide
17	x,y,z+1/2,-1	{ 1' \| 0 0 1/2 }
18	x,-y,-z,-1	{ 2'₁₀₀ \| 0 }
19	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
20	-x,-y,z+1/2,-1	{ 2'₀₀₁ \| 0 0 1/2 }
21	y+1/2,-x+1/2,-z,-1	{ -4'⁺₀₀₁ \| 1/2 1/2 0 }
22	-y+1/2,x+1/2,-z,-1	{ -4'^-₀₀₁ \| 1/2 1/2 0 }
23	-y+1/2,-x+1/2,z+1/2,-1	{ m'₁₁₀ \| 1/2 1/2 1/2 }
24	y+1/2,x+1/2,z+1/2,-1	{ m'_1-10 \| 1/2 1/2 1/2 }
(1/2,1/2,0)' + set click here to show and hide
25	x+1/2,y+1/2,z,-1	{ 1' \| 1/2 1/2 0 }
26	x+1/2,-y+1/2,-z+1/2,-1	{ 2'₁₀₀ \| 1/2 1/2 1/2 }
27	-x+1/2,y+1/2,-z+1/2,-1	{ 2'₀₁₀ \| 1/2 1/2 1/2 }
28	-x+1/2,-y+1/2,z,-1	{ 2'₀₀₁ \| 1/2 1/2 0 }
29	y,-x,-z+1/2,-1	{ -4'⁺₀₀₁ \| 0 0 1/2 }
30	-y,x,-z+1/2,-1	{ -4'^-₀₀₁ \| 0 0 1/2 }
31	-y,-x,z,-1	{ m'₁₁₀ \| 0 }
32	y,x,z,-1	{ m'_1-10 \| 0 }

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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	2₁₀₀
3	-x,y,-z,+1	2₀₁₀
4	-x,-y,z,+1	2₀₀₁
5	y,-x,-z,+1	-4⁺₀₀₁
6	-y,x,-z,+1	-4^-₀₀₁
7	-y,-x,z,+1	m₁₁₀
8	y,x,z,+1	m_1-10
1' + set click here to show and hide
9	x,y,z,-1	1'
10	x,-y,-z,-1	2'₁₀₀
11	-x,y,-z,-1	2'₀₁₀
12	-x,-y,z,-1	2'₀₀₁
13	y,-x,-z,-1	-4'⁺₀₀₁
14	-y,x,-z,-1	-4'^-₀₀₁
15	-y,-x,z,-1	m'₁₁₀
16	y,x,z,-1	m'_1-10

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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	0.25000	0.25000	0.11395	8	m_x,m_x,0	2.643	2.643	0.0	3.74

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Sr1	Sr	0.25000	0.75000	0.18910	8
Sr2	Sr	0.25000	0.75000	0.05255	8
O1	O	0.25000	0.25000	0.04100	8
O2_1	O	0.00000	0.00000	0.12690	8
O2_2	O	0.00000	0.50000	0.12690	8
F1	F	0.25000	0.25000	0.21740	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:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.25000	0.25000	0.11395	m_x,m_x,0	2.64300	2.64300	0.00000
2	0.25000	0.75000	0.38605	m_x,-m_x,0	2.64300	-2.64300	0.00000
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.75000	0.61395	m_x,m_x,0	2.64300	2.64300	0.00000
4	0.75000	0.25000	0.88605	m_x,-m_x,0	2.64300	-2.64300	0.00000
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.61395	-m_x,-m_x,0	-2.64300	-2.64300	0.00000
6	0.25000	0.75000	0.88605	-m_x,m_x,0	-2.64300	2.64300	0.00000
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.75000	0.11395	-m_x,-m_x,0	-2.64300	-2.64300	0.00000
8	0.75000	0.25000	0.38605	-m_x,m_x,0	-2.64300	2.64300	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.25000	0.75000	0.18910
2	0.25000	0.25000	0.31090
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.25000	0.68910
4	0.75000	0.75000	0.81090
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.75000	0.68910
6	0.25000	0.25000	0.81090
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.25000	0.18910
8	0.75000	0.75000	0.31090

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

Atom	x	y	z
1	0.25000	0.75000	0.05255
2	0.25000	0.25000	0.44745
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.25000	0.55255
4	0.75000	0.75000	0.94745
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.75000	0.55255
6	0.25000	0.25000	0.94745
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.25000	0.05255
8	0.75000	0.75000	0.44745

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

Atom	x	y	z
1	0.25000	0.25000	0.04100
2	0.25000	0.75000	0.45900
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.75000	0.54100
4	0.75000	0.25000	0.95900
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.54100
6	0.25000	0.75000	0.95900
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.75000	0.04100
8	0.75000	0.25000	0.45900

Set of atoms in the unit cell related by symmetry with the atom O2_1:

Atom	x	y	z
1	0.00000	0.00000	0.12690
2	0.00000	0.00000	0.37310
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.50000	0.62690
4	0.50000	0.50000	0.87310
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.00000	0.62690
6	0.00000	0.00000	0.87310
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.50000	0.12690
8	0.50000	0.50000	0.37310

Set of atoms in the unit cell related by symmetry with the atom O2_2:

Atom	x	y	z
1	0.00000	0.50000	0.12690
2	0.00000	0.50000	0.37310
(1/2,1/2,1/2) + set click here to show and hide
3	0.50000	0.00000	0.62690
4	0.50000	0.00000	0.87310
(0,0,1/2)' + set click here to show and hide
5	0.00000	0.50000	0.62690
6	0.00000	0.50000	0.87310
(1/2,1/2,0)' + set click here to show and hide
7	0.50000	0.00000	0.12690
8	0.50000	0.00000	0.37310

Set of atoms in the unit cell related by symmetry with the atom F1:

Atom	x	y	z
1	0.25000	0.25000	0.21740
2	0.25000	0.75000	0.28260
(1/2,1/2,1/2) + set click here to show and hide
3	0.75000	0.75000	0.71740
4	0.75000	0.25000	0.78260
(0,0,1/2)' + set click here to show and hide
5	0.25000	0.25000	0.71740
6	0.25000	0.75000	0.78260
(1/2,1/2,0)' + set click here to show and hide
7	0.75000	0.75000	0.21740
8	0.75000	0.25000	0.28260

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25000	0.25000	0.11395	8	m_x,m_x,0	2.643	2.643	0.0	3.74

label	dim. full irrep	dim. small irrep	direction	action	number of modes
mA1	2	2	special	primary	1

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