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_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	2	0,0,m_z	4.1(3)	4.10
Fe2	Fe	0.00000	0.00000	0.25000	2	0,0,m_z	4.8(3)	4.80
Fe3	Fe	0.33333	0.66667	0.02800	4	0,0,m_z	-4.5(2)	4.50
Fe4	Fe	0.33333	0.66667	0.18970	4	0,0,m_z	-4.2(2)	4.20
Fe5	Fe	0.16660	0.33320	0.89170	12	m_x,2m_x,m_z	4.9(1)	4.90

Non-magnetic atoms:

Label	Atom type	x	y	z	Multiplicity
Ba1	Ba	0.33333	0.66667	0.75000	2
O1	O	0.00000	0.00000	0.15190	4
O2	O	0.33333	0.66667	0.94450	4
O3	O	0.18800	0.37600	0.25000	6
O4	O	0.15900	0.31800	0.05230	12
O5	O	0.50000	0.00000	0.14930	12

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	0,0,m_z	0.00000	0.00000	4.10000
2	0.00000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	4.10000

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	0.00000	0.25000	0,0,m_z	0.00000	0.00000	4.80000
2	0.00000	0.00000	0.75000	0,0,m_z	0.00000	0.00000	4.80000

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

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.02800	0,0,m_z	-4.50000
2	0.66666	0.33333	0.52800	0,0,m_z	-4.50000
3	0.66667	0.33333	0.97200	0,0,m_z	-4.50000
4	0.33334	0.66667	0.47200	0,0,m_z	-4.50000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe4:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.18970	0,0,m_z	-4.20000
2	0.66666	0.33333	0.68970	0,0,m_z	-4.20000
3	0.66667	0.33333	0.81030	0,0,m_z	-4.20000
4	0.33334	0.66667	0.31030	0,0,m_z	-4.20000

Set of atoms in the unit cell related by symmetry with the magnetic atom Fe5:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.16660	0.33320	0.89170	m_x,2m_x,m_z	4.90000
2	0.83340	0.16660	0.39170	-m_x,m_x,m_z	4.90000
3	0.66680	0.83340	0.89170	-2m_x,-m_x,m_z	4.90000
4	0.83340	0.66680	0.39170	-m_x,-2m_x,m_z	4.90000
5	0.16660	0.83340	0.89170	m_x,-m_x,m_z	4.90000
6	0.33320	0.16660	0.39170	2m_x,m_x,m_z	4.90000
7	0.83340	0.66680	0.10830	m_x,2m_x,m_z	4.90000
8	0.16660	0.83340	0.60830	-m_x,m_x,m_z	4.90000
9	0.33320	0.16660	0.10830	-2m_x,-m_x,m_z	4.90000
10	0.16660	0.33320	0.60830	-m_x,-2m_x,m_z	4.90000
11	0.83340	0.16660	0.10830	m_x,-m_x,m_z	4.90000
12	0.66680	0.83340	0.60830	2m_x,m_x,m_z	4.90000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Ba1:

Atom	x	y	z
1	0.33333	0.66667	0.75000
2	0.66666	0.33333	0.25000

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:

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Label	Atom type	x	y	z	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	2	0,0,m_z	4.1(3)	4.10
Fe2	Fe	0.00000	0.00000	0.25000	2	0,0,m_z	4.8(3)	4.80
Fe3	Fe	0.33333	0.66667	0.02800	4	0,0,m_z	-4.5(2)	4.50
Fe4	Fe	0.33333	0.66667	0.18970	4	0,0,m_z	-4.2(2)	4.20
Fe5	Fe	0.16660	0.33320	0.89170	12	m_x,2m_x,m_z	4.9(1)	4.90

label	dim. small irrep	dim. full irrep	action	number of modes
mGM2+	1	1	primary	6

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