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	0.33617(10)	4	m_x,m_y,0	-0.94(12)	4.47(10)	0.0	4.57
Fe2	Fe	0.25	0.75	0.21721(10)	4	m_x,m_y,0	1.60(11)	3.96(10)	0.0	4.27
Fe3	Fe	0.03556(14)	0.62435(11)	0.02337(7)	8	m_x,m_y,m_z	-0.22(6)	-4.37(8)	0.6(2)	4.42

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Se1	Se	0.01148(15)	0.45269(15)	0.22129(8)	8
Se2	Se	0.02972(17)	0.13230(14)	0.04345(8)	8
O1	O	0.0281(2)	0.7078(2)	0.14450(11)	8
O2	O	0.1956(2)	0.3630(2)	0.23474(12)	8
O3	O	0.7954(2)	0.3815(2)	0.22037(11)	8
O4	O	0.0234(3)	0.4777(2)	0.09289(12)	8
O5	O	-0.0195(2)	0.2587(2)	0.07015(13)	8
O6	O	0.8317(2)	0.09968(20)	-0.03184(11)	8
O7	O	0.2176(2)	0.13876(19)	-0.04763(11)	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
1	0.25000	0.25000	0.33617	m_x,m_y,0	-0.94000	4.47000
2	0.75000	0.75000	0.16383	m_x,-m_y,0	-0.94000	-4.47000
3	0.75000	0.75000	0.66383	-m_x,-m_y,0	0.94000	-4.47000
4	0.25000	0.25000	0.83617	-m_x,m_y,0	0.94000	4.47000

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	0.21721	m_x,m_y,0	1.60000	3.96000
2	0.75000	0.25000	0.28279	m_x,-m_y,0	1.60000	-3.96000
3	0.75000	0.25000	0.78279	-m_x,-m_y,0	-1.60000	-3.96000
4	0.25000	0.75000	0.71721	-m_x,m_y,0	-1.60000	3.96000

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	0.03556	0.62435	0.02337	m_x,m_y,m_z	-0.22000	-4.37000	0.60000
2	0.46444	0.87565	0.02337	m_x,m_y,-m_z	-0.22000	-4.37000	-0.60000
3	0.96444	0.12435	0.47663	m_x,-m_y,m_z	-0.22000	4.37000	0.60000
4	0.53556	0.37565	0.47663	m_x,-m_y,-m_z	-0.22000	4.37000	-0.60000
5	0.96444	0.37565	0.97663	-m_x,-m_y,-m_z	0.22000	4.37000	-0.60000
6	0.53556	0.12435	0.97663	-m_x,-m_y,m_z	0.22000	4.37000	0.60000
7	0.03556	0.87565	0.52337	-m_x,m_y,-m_z	0.22000	-4.37000	-0.60000
8	0.46444	0.62435	0.52337	-m_x,m_y,m_z	0.22000	-4.37000	0.60000

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:

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

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

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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	0.33617(10)	4	m_x,m_y,0	-0.94(12)	4.47(10)	0.0	4.57
Fe2	Fe	0.25	0.75	0.21721(10)	4	m_x,m_y,0	1.60(11)	3.96(10)	0.0	4.27
Fe3	Fe	0.03556(14)	0.62435(11)	0.02337(7)	8	m_x,m_y,m_z	-0.22(6)	-4.37(8)	0.6(2)	4.42

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