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	{ -1 \| 0 }
3	-x,y,-z,-1	{ 2'₀₁₀ \| 0 }
4	x,-y,z,-1	{ m'₀₁₀ \| 0 }
(1/2,1/2,0) + set click here to show and hide
5	x+1/2,y+1/2,z,+1	{ 1 \| 1/2 1/2 0 }
6	-x+1/2,-y+1/2,-z,+1	{ -1 \| 1/2 1/2 0 }
7	-x+1/2,y+1/2,-z,-1	{ 2'₀₁₀ \| 1/2 1/2 0 }
8	x+1/2,-y+1/2,z,-1	{ m'₀₁₀ \| 1/2 1/2 0 }

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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	0.50000	4	m_x,m_y,m_z	0.0	3.98	0.0	3.98
Fe2	Fe	0.00000	0.50000	0.00000	2	m_x,0,m_z	0.0	0.0	0.0	0.00

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
F1	F	0.00000	0.29920	0.50000	4
F2	F	0.17810	0.00000	0.43940	4
F3	F	0.13360	0.29620	0.21260	8
O1	O	0.24700	0.00000	0.05550	4
H1	H	0.20900	0.10020	0.10800	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	0.50000	m_x,m_y,m_z	0.00000	3.98000	0.00000
2	0.75000	0.25000	0.50000	m_x,-m_y,m_z	0.00000	-3.98000	0.00000
(1/2,1/2,0) + set click here to show and hide
3	0.75000	0.75000	0.50000	m_x,m_y,m_z	0.00000	3.98000	0.00000
4	0.25000	0.75000	0.50000	m_x,-m_y,m_z	0.00000	-3.98000	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	0.00000	0.50000	0.00000	m_x,0,m_z	0.00000	0.00000	0.00000
(1/2,1/2,0) + set click here to show and hide
2	0.50000	0.00000	0.00000	m_x,0,m_z	0.00000	0.00000	0.00000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.29920	0.50000
2	0.00000	0.70080	0.50000
(1/2,1/2,0) + set click here to show and hide
3	0.50000	0.79920	0.50000
4	0.50000	0.20080	0.50000

Set of atoms in the unit cell related by symmetry with the atom F2:

Atom	x	y	z
1	0.17810	0.00000	0.43940
2	0.82190	0.00000	0.56060
(1/2,1/2,0) + set click here to show and hide
3	0.67810	0.50000	0.43940
4	0.32190	0.50000	0.56060

Set of atoms in the unit cell related by symmetry with the atom F3:

Atom	x	y	z
1	0.13360	0.29620	0.21260
2	0.86640	0.70380	0.78740
3	0.86640	0.29620	0.78740
4	0.13360	0.70380	0.21260
(1/2,1/2,0) + set click here to show and hide
5	0.63360	0.79620	0.21260
6	0.36640	0.20380	0.78740
7	0.36640	0.79620	0.78740
8	0.63360	0.20380	0.21260

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

Atom	x	y	z
1	0.24700	0.00000	0.05550
2	0.75300	0.00000	0.94450
(1/2,1/2,0) + set click here to show and hide
3	0.74700	0.50000	0.05550
4	0.25300	0.50000	0.94450

Set of atoms in the unit cell related by symmetry with the atom H1:

Atom	x	y	z
1	0.20900	0.10020	0.10800
2	0.79100	0.89980	0.89200
3	0.79100	0.10020	0.89200
4	0.20900	0.89980	0.10800
(1/2,1/2,0) + set click here to show and hide
5	0.70900	0.60020	0.10800
6	0.29100	0.39980	0.89200
7	0.29100	0.60020	0.89200
8	0.70900	0.39980	0.10800

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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	0.50000	4	m_x,m_y,m_z	0.0	3.98	0.0	3.98
Fe2	Fe	0.00000	0.50000	0.00000	2	m_x,0,m_z	0.0	0.0	0.0	0.00

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	5

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