MAGNDATA - Collection of Magnetic Structures

Magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	0.28	2	0,0,m_z	1.7(1)	1.70
Fe2	Fe	0.50000	0.00000	0.50000	0.68	2	0,0,m_z	2.7(1)	2.70
Fe3	Fe	0.00040	0.27610	0.00000	0.25	4	0,0,m_z	2.5(1)	2.50
Fe4	Fe	0.73890	0.38510	0.50000	0.78	4	0,0,m_z	2.7(1)	2.70

Non-magnetic atoms:

Label	Atom type	x	y	z	Occupancy	Multiplicity
Mn1	Mn	0.00000	0.00000	0.00000	0.72	2
Mn2	Mn	0.50000	0.00000	0.50000	0.32	2
Mn3	Mn	0.00040	0.27610	0.00000	0.75	4
Mn4	Mn	0.73890	0.38510	0.50000	0.22	4
B1	B	0.27000	0.36200	0.50000	1.	4
O1	O	0.84400	0.04400	0.50000	1.	4
O2	O	0.38600	0.07500	0.00000	1.	4
O3	O	0.62500	0.13900	0.50000	1.	4
O4	O	0.11200	0.14200	0.00000	1.	4
O5	O	0.84100	0.23600	0.50000	1.	4

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	1.70000
2	0.50000	0.50000	0.00000	0,0,-m_z	0.00000	0.00000	-1.70000

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	0.50000	0.00000	0.50000	0,0,m_z	0.00000	0.00000	2.70000
2	0.00000	0.50000	0.50000	0,0,-m_z	0.00000	0.00000	-2.70000

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

Atom	x	y	Symmetry constraints on M	M_z
1	0.00040	0.27610	0,0,m_z	2.50000
2	0.50040	0.22390	0,0,-m_z	-2.50000
3	0.49960	0.77610	0,0,-m_z	-2.50000
4	0.99960	0.72390	0,0,m_z	2.50000

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	0.73890	0.38510	0.50000	0,0,m_z	2.70000
2	0.23890	0.11490	0.50000	0,0,-m_z	-2.70000
3	0.76110	0.88510	0.50000	0,0,-m_z	-2.70000
4	0.26110	0.61490	0.50000	0,0,m_z	2.70000

Non-magnetic atoms:

Set of atoms in the unit cell related by symmetry with the atom Mn1:

Atom	x	y	z
1	0.00000	0.00000	0.00000
2	0.50000	0.50000	0.00000

Set of atoms in the unit cell related by symmetry with the atom Mn2:

Atom	x	y	z
1	0.50000	0.00000	0.50000
2	0.00000	0.50000	0.50000

Set of atoms in the unit cell related by symmetry with the atom Mn3:

Set of atoms in the unit cell related by symmetry with the atom Mn4:

Set of atoms in the unit cell related by symmetry with the atom B1:

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:

[Hide]

Label	Atom type	x	y	z	Occupancy	Multiplicity	Symmetry constraints on M	M_z	\|M\|
Fe1	Fe	0.00000	0.00000	0.00000	0.28	2	0,0,m_z	1.7(1)	1.70
Fe2	Fe	0.50000	0.00000	0.50000	0.68	2	0,0,m_z	2.7(1)	2.70
Fe3	Fe	0.00040	0.27610	0.00000	0.25	4	0,0,m_z	2.5(1)	2.50
Fe4	Fe	0.73890	0.38510	0.50000	0.78	4	0,0,m_z	2.7(1)	2.70

label	dim. small irrep	dim. full irrep	action	number of modes
mGM1+	1	1	primary	4

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