MAGNDATA arrow Collection of Magnetic Structures


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

Log in


  Element search (separate with space or comma):     View Full Database  Advanced Search

To upload any published structure click HERE


  Enter the label of the structure:   

LiFePO4 (#0.95)

view in Jmol
Download mcif file
Download vesta file (all atoms)
Download vesta file (magnetic atoms only)


working...


Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: G. Rousse, J. Rodriguez-Carvajal, S. Patoux and C. Masquelier, Chemistry of Materials (2003) 15 4082-4090.
DOI: 10.1021/cm0300462
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pnma (#62)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 52 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
10.3377(5) 6.0112(2) 4.6950(2) 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pnma' (#62.445) (standard setting)
    [View symmetry operations]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m'mm (8.3.26)
    [View symmetry operations]
Symmetry-adapted form of material tensors via
Symmetry-adapted form of material tensors for domain-related equivalent structures via

Positions and magnetic moments of symmetry independent atoms:
From now on, magnetic atoms are in boldface and colored in red. Magnetic moments are expressed in units of μB

     [Show only magnetic atoms]                                             Use MVISUALIZE to:
     [Show all the atoms]
                                        

LabelAtom typexyzMultiplicitySymmetry constraints on MMxMyMz|M|
Fe1Fe0.2822(2)0.250000.9738(5)40,my,00.0-4.19(5)0.04.19

    [Show all magnetic atoms in unit cell and their moment relations]



Active Irreps:                                           
Irrep decomposition via


Comments:
Comments (symmetry):

Bilbao Crystallographic Server
https://www.cryst.ehu.es
For comments, please mail to
administrador.bcs@ehu.eus