MAGNDATA - Collection of Magnetic Structures

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

[Hide]

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

[Hide]

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Re1	Re	0.00000	0.00000	0.00000	0.866	2	0,0,m_z	-0.4	0.40
Cr1	Cr	0.00000	0.00000	0.00000	0.134	2	0,0,m_z	-1.82(1)	1.82
Cr2	Cr	0.33333	0.66667	0.84090	0.933	4	0,0,m_z	1.82(1)	1.82
Re2	Re	0.33333	0.66667	0.84090	0.067	4	0,0,m_z	0.4	0.40

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Ba1	Ba	0.00000	0.00000	0.25000	1.	2
Ba2	Ba	0.33333	0.66667	0.40130	1.	4
O1	O	0.51160	0.02320	0.25000	1.	6
O2	O	0.83850	0.67700	0.42140	1.	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 Re1:

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	-0.40000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	0.40000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr1:

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	-1.82000
2	0.00000	0.00000	0.50000	0,0,-m_z	0.00000	0.00000	1.82000

Set of atoms in the unit cell related by symmetry with the magnetic atom Cr2:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.84090	0,0,m_z	1.82000
2	0.33333	0.66666	0.65910	0,0,-m_z	-1.82000
3	0.66667	0.33333	0.15910	0,0,m_z	1.82000
4	0.66667	0.33334	0.34090	0,0,-m_z	-1.82000

Set of atoms in the unit cell related by symmetry with the magnetic atom Re2:

Atom	x	y	z	Symmetry constraints on M	M_z
1	0.33333	0.66667	0.84090	0,0,m_z	0.40000
2	0.33333	0.66666	0.65910	0,0,-m_z	-0.40000
3	0.66667	0.33333	0.15910	0,0,m_z	0.40000
4	0.66667	0.33334	0.34090	0,0,-m_z	-0.40000

Non-magnetic atoms:

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

Atom	x	y	z
1	0.00000	0.00000	0.25000
2	0.00000	0.00000	0.75000

Set of atoms in the unit cell related by symmetry with the atom Ba2:

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:

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Re1	Re	0.00000	0.00000	0.00000	0.866	2	0,0,m_z	-0.4	0.40
Cr1	Cr	0.00000	0.00000	0.00000	0.134	2	0,0,m_z	-1.82(1)	1.82
Cr2	Cr	0.33333	0.66667	0.84090	0.933	4	0,0,m_z	1.82(1)	1.82
Re2	Re	0.33333	0.66667	0.84090	0.067	4	0,0,m_z	0.4	0.40

label	dim. small irrep	dim. full irrep	action	number of modes
mGM4+	1	1	primary	4

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