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:   

Li2FeGeS4 (#1.735)

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: J. A. Brant, C. dela Cruz, J. Yao, A. P. Douvalis, T. Bakas, M. Sorescu, J. A. Aitken, Inorg. Chem. (2014) 53 12265 - 12274
DOI: 10.1021/ic5011693
Atomic positions from: ICSD #238235

Parent space group (paramagnetic phase): Pn (#7) (non-standard)
Transformation to a standard setting: (a,b,-a+c;0,0,0)
    [View matrix form]
Propagation vector: k1 (1/2, 1/2, 1/2)

Transition Temperature: 6 K
Experiment Temperature: 1.5 K

Lattice parameters of the magnetic unit cell:
12.44760 13.20720 15.57180 90.00 90.33 90.00
Transformation from parent structure: (2a,2b,2c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: Cac (#9.41) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (a,b,-1/2a+1/2c;0,1/4,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: m.1' (4.2.10)
    [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|
Fe1Fe0.240600.338100.1814516mx,my,mz0.02.82(7)0.02.82

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mC2 1 1 primary 3


Comments:
Comments (symmetry):

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