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	{ 2₀₁₀ \| 0 }
4	-x,-y,z,+1	{ 2₀₀₁ \| 0 }
5	-x,-y,-z,-1	{ -1' \| 0 }
6	-x,y,z,-1	{ m'₁₀₀ \| 0 }
7	x,-y,z,-1	{ m'₀₁₀ \| 0 }
8	x,y,-z,-1	{ m'₀₀₁ \| 0 }
(1/2,1/2,0) + set click here to show and hide
9	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
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	{ 2₀₀₁ \| 1/2 1/2 0 }
13	-x+1/2,-y+1/2,-z,-1	{ -1' \| 1/2 1/2 0 }
14	-x+1/2,y+1/2,z,-1	{ m'₁₀₀ \| 1/2 1/2 0 }
15	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }
16	x+1/2,y+1/2,-z,-1	{ m'₀₀₁ \| 1/2 1/2 0 }

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Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.00000	0.74845	0.00000	1.	4	0,m_y,0	2.99(5)	2.99
Fe2	Fe	0.25000	0.25000	0.50000	0.9	4	0,0,0	0.0	0.00
Co1	Co	0.25000	0.25000	0.50000	0.1	4	0,0,0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Sr1	Sr	0.50000	0.00000	0.50000	1.	2
Sr2	Sr	0.00000	0.00000	0.50000	1.	2
Sr3	Sr	0.25667	0.00000	0.00000	1.	4
O1	O	0.50000	0.00000	0.00000	1.	2
O2	O	0.26468	0.00000	0.50000	1.	4
O3	O	0.37932	0.27147	0.24950	1.	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	0.74845	0.00000	0,m_y,0	0.00000	2.99000	0.00000
2	0.00000	0.25155	0.00000	0,-m_y,0	0.00000	-2.99000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.24845	0.00000	0,m_y,0	0.00000	2.99000	0.00000
4	0.50000	0.75155	0.00000	0,-m_y,0	0.00000	-2.99000	0.00000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe2:

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

Set of atoms in the unit cell related by symmetry with the magnetic atom Co1:

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

Non-magnetic atoms:

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

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

Set of atoms in the unit cell related by symmetry with the atom Sr3:

Atom	x	y	z
1	0.25667	0.00000	0.00000
2	0.74333	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.75667	0.50000	0.00000
4	0.24333	0.50000	0.00000

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

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

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

Atom	x	y	z
1	0.26468	0.00000	0.50000
2	0.73532	0.00000	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.76468	0.50000	0.50000
4	0.23532	0.50000	0.50000

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

Atom	x	y	z
1	0.37932	0.27147	0.24950
2	0.37932	0.72853	0.75050
3	0.62068	0.27147	0.75050
4	0.62068	0.72853	0.24950
5	0.62068	0.72853	0.75050
6	0.62068	0.27147	0.24950
7	0.37932	0.72853	0.24950
8	0.37932	0.27147	0.75050
(1/2,1/2,0) + set click here to show and hide
9	0.87932	0.77147	0.24950
10	0.87932	0.22853	0.75050
11	0.12068	0.77147	0.75050
12	0.12068	0.22853	0.24950
13	0.12068	0.22853	0.75050
14	0.12068	0.77147	0.24950
15	0.87932	0.22853	0.24950
16	0.87932	0.77147	0.75050

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Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_y	\|M\|
Fe1	Fe	0.00000	0.74845	0.00000	1.	4	0,m_y,0	2.99(5)	2.99
Fe2	Fe	0.25000	0.25000	0.50000	0.9	4	0,0,0	0.0	0.00
Co1	Co	0.25000	0.25000	0.50000	0.1	4	0,0,0	0.0	0.00

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1-	1	1	primary	1

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