MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space group in the setting used:

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Symmetry operations of the magnetic point group in the setting used:

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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	m_x,m_y,m_z	3.86(7)	1.00(9)	1.07(10)	4.13
Fe2	Fe	0.1975(8)	0.25	0.2682(7)	4	0,m_y,0	0.0	3.12(9)	0.0	3.12

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
N1	N	-0.0046(9)	0.25000	0.6174(7)	4
H1	H	-0.0324(25)	0.25	0.5308(19)	4
H2	H	0.1337(30)	0.25	0.6018(21)	4
H3	H	-0.0468(18)	0.1498(12)	0.6598(12)	8
F1	F	0.9448(11)	0.25	0.3385(11)	4
F2	F	0.0627(11)	0.25	0.9760(11)	4
F3	F	0.1246(5)	0.4882(13)	0.1692(7)	8
F4	F	0.7665(8)	0.4405(16)	0.0832(7)	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	0.00000	0.00000	0.00000	m_x,m_y,m_z	3.86000	1.00000	1.07000
2	0.50000	0.50000	0.50000	m_x,-m_y,-m_z	3.86000	-1.00000	-1.07000
3	0.00000	0.50000	0.00000	-m_x,m_y,-m_z	-3.86000	1.00000	-1.07000
4	0.50000	0.00000	0.50000	-m_x,-m_y,m_z	-3.86000	-1.00000	1.07000

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

Atom	x	y	z	Symmetry constraints on M	M_y
1	0.19750	0.25000	0.26820	0,m_y,0	3.12000
2	0.69750	0.25000	0.23180	0,-m_y,0	-3.12000
3	0.80250	0.75000	0.73180	0,m_y,0	3.12000
4	0.30250	0.75000	0.76820	0,-m_y,0	-3.12000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom N1:

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

Set of atoms in the unit cell related by symmetry with the atom H2:

Set of atoms in the unit cell related by symmetry with the atom H3:

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

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

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

Set of atoms in the unit cell related by symmetry with the atom F4:

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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	m_x,m_y,m_z	3.86(7)	1.00(9)	1.07(10)	4.13
Fe2	Fe	0.1975(8)	0.25	0.2682(7)	4	0,m_y,0	0.0	3.12(9)	0.0	3.12

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	4

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