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	0.33588(11)	4	m_x,m_y,0	-0.74(16)	3.17(14)	0.0	3.26
Fe2	Fe	0.25	0.75	0.21658(11)	4	m_x,m_y,0	1.38(15)	2.88(15)	0.0	3.19
Fe3	Fe	0.03553(15)	0.62427(12)	0.02350(7)	8	m_x,m_y,m_z	-0.32(9)	-2.52(11)	0.7(3)	2.63

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Se1	Se	0.01135(17)	0.45256(16)	0.22116(9)	8
Se2	Se	0.02941(18)	0.13250(15)	0.04308(9)	8
O1	O	0.0275(2)	0.7076(2)	0.14451(12)	8
O2	O	0.1957(3)	0.3628(2)	0.23462(13)	8
O3	O	0.7955(3)	0.3811(2)	0.22044(12)	8
O4	O	0.0232(3)	0.4775(2)	0.09293(13)	8
O5	O	-0.0190(3)	0.2587(2)	0.06985(14)	8
O6	O	0.8315(2)	0.1001(2)	-0.03214(12)	8
O7	O	0.2175(2)	0.1385(2)	-0.04787(12)	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	0.33588	m_x,m_y,0	-0.74000	3.17000
2	0.75000	0.75000	0.16412	m_x,-m_y,0	-0.74000	-3.17000
3	0.75000	0.75000	0.66412	-m_x,-m_y,0	0.74000	-3.17000
4	0.25000	0.25000	0.83588	-m_x,m_y,0	0.74000	3.17000

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	0.21658	m_x,m_y,0	1.38000	2.88000
2	0.75000	0.25000	0.28342	m_x,-m_y,0	1.38000	-2.88000
3	0.75000	0.25000	0.78342	-m_x,-m_y,0	-1.38000	-2.88000
4	0.25000	0.75000	0.71658	-m_x,m_y,0	-1.38000	2.88000

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	0.03553	0.62427	0.02350	m_x,m_y,m_z	-0.32000	-2.52000	0.70000
2	0.46447	0.87573	0.02350	m_x,m_y,-m_z	-0.32000	-2.52000	-0.70000
3	0.96447	0.12427	0.47650	m_x,-m_y,m_z	-0.32000	2.52000	0.70000
4	0.53553	0.37573	0.47650	m_x,-m_y,-m_z	-0.32000	2.52000	-0.70000
5	0.96447	0.37573	0.97650	-m_x,-m_y,-m_z	0.32000	2.52000	-0.70000
6	0.53553	0.12427	0.97650	-m_x,-m_y,m_z	0.32000	2.52000	0.70000
7	0.03553	0.87573	0.52350	-m_x,m_y,-m_z	0.32000	-2.52000	-0.70000
8	0.46447	0.62427	0.52350	-m_x,m_y,m_z	0.32000	-2.52000	0.70000

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	0.33588(11)	4	m_x,m_y,0	-0.74(16)	3.17(14)	0.0	3.26
Fe2	Fe	0.25	0.75	0.21658(11)	4	m_x,m_y,0	1.38(15)	2.88(15)	0.0	3.19
Fe3	Fe	0.03553(15)	0.62427(12)	0.02350(7)	8	m_x,m_y,m_z	-0.32(9)	-2.52(11)	0.7(3)	2.63

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