MAGNDATA - Collection of Magnetic Structures

Symmetry operations of the magnetic space 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	0.25	0.25	0.33602(10)	4	m_x,m_y,0	-0.82(12)	3.80(11)	0.0	3.89
Fe2	Fe	0.25	0.75	0.21687(10)	4	m_x,m_y,0	1.44(13)	3.41(11)	0.0	3.70
Fe3	Fe	0.03565(15)	0.62426(12)	0.02345(7)	8	m_x,m_y,m_z	-0.25(5)	-3.29(8)	0.87(19)	3.41

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Se1	Se	0.01145(16)	0.45253(16)	0.22124(8)	8
Se2	Se	0.02953(17)	0.13234(14)	0.04333(8)	8
O1	O	0.0278(2)	0.7076(2)	0.14450(11)	8
O2	O	0.1957(3)	0.3629(2)	0.23472(12)	8
O3	O	0.7954(2)	0.3813(2)	0.22042(12)	8
O4	O	0.0234(3)	0.4776(2)	0.09284(13)	8
O5	O	−0.0191(2)	0.2589(2)	0.07002(14)	1
O6	O	0.8316(2)	0.0997(2)	−0.03199(12)	1
O7	O	0.2176(2)	0.1386(2)	−0.04770(12)	1

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
1	0.25000	0.25000	0.33602	m_x,m_y,0	-0.82000	3.80000
2	0.75000	0.75000	0.16398	m_x,-m_y,0	-0.82000	-3.80000
3	0.75000	0.75000	0.66398	-m_x,-m_y,0	0.82000	-3.80000
4	0.25000	0.25000	0.83602	-m_x,m_y,0	0.82000	3.80000

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
1	0.25000	0.75000	0.21687	m_x,m_y,0	1.44000	3.41000
2	0.75000	0.25000	0.28313	m_x,-m_y,0	1.44000	-3.41000
3	0.75000	0.25000	0.78313	-m_x,-m_y,0	-1.44000	-3.41000
4	0.25000	0.75000	0.71687	-m_x,m_y,0	-1.44000	3.41000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe3:

Atom	x	y	z	Symmetry constraints on M	M_x	M_y	M_z
1	0.03565	0.62426	0.02345	m_x,m_y,m_z	-0.25000	-3.29000	0.87000
2	0.46435	0.87574	0.02345	m_x,m_y,-m_z	-0.25000	-3.29000	-0.87000
3	0.96435	0.12426	0.47655	m_x,-m_y,m_z	-0.25000	3.29000	0.87000
4	0.53565	0.37574	0.47655	m_x,-m_y,-m_z	-0.25000	3.29000	-0.87000
5	0.96435	0.37574	0.97655	-m_x,-m_y,-m_z	0.25000	3.29000	-0.87000
6	0.53565	0.12426	0.97655	-m_x,-m_y,m_z	0.25000	3.29000	0.87000
7	0.03565	0.87574	0.52345	-m_x,m_y,-m_z	0.25000	-3.29000	-0.87000
8	0.46435	0.62426	0.52345	-m_x,m_y,m_z	0.25000	-3.29000	0.87000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Se1:

Set of atoms in the unit cell related by symmetry with the atom Se2:

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

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

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

Set of atoms in the unit cell related by symmetry with the atom O4:

Set of atoms in the unit cell related by symmetry with the atom O5:

Atom	x	y	z
1

Set of atoms in the unit cell related by symmetry with the atom O6:

Atom	x	y	z
1

Set of atoms in the unit cell related by symmetry with the atom O7:

Atom	x	y	z
1

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_x	M_y	M_z	\|M\|
Fe1	Fe	0.25	0.25	0.33602(10)	4	m_x,m_y,0	-0.82(12)	3.80(11)	0.0	3.89
Fe2	Fe	0.25	0.75	0.21687(10)	4	m_x,m_y,0	1.44(13)	3.41(11)	0.0	3.70
Fe3	Fe	0.03565(15)	0.62426(12)	0.02345(7)	8	m_x,m_y,m_z	-0.25(5)	-3.29(8)	0.87(19)	3.41

label	dim. small irrep	dim. full irrep	action	number of modes
mGM3-	1	1	primary	7

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