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:   

Li2Fe(SO4)2 (#1.147)

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: M. Reynaud, G. Rousse, J.-N. Chotard, J. Rodriguez-Carvajal and J.-M. Tarascon, Inorganic Chemistry (2013) 52 10456-10466.
DOI: 10.1021/ic401280e
Atomic positions from: same reference

Parent space group (paramagnetic phase): P21/c (#14)
Propagation vector: k1 (1/2, 0, 0)

Transition Temperature: 4 K
Experiment Temperature: 1.85 K

Lattice parameters of the magnetic unit cell:
9.96720 8.19100 8.81080 90.00 121.91 90.00
Transformation from parent structure: (2a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Pa21/c (#14.80) (standard setting)
    [View symmetry operations]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2/m.1' (5.2.13)
    [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|
Fe1Fe0.000000.000000.000004mx,my,mz2.97(6)1.25(10)0.03.22

    [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