MAGNDATA arrow Collection of Magnetic Structures


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

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Li2Fe(SO4)2 (#0.243)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: L. Lander, M. Reynaud, J. Rodriguez-Carvajal, J.-M. Tarascon and G. Rousse, Inorganic Chemistry (2016) 55 11760-11769.
DOI: 10.1021/acs.inorgchem.6b01844
Atomic positions from: same reference

Parent space group (paramagnetic phase): Pbca (#61)
Propagation vector: k1 (0, 0, 0)

Transition Temperature: 12 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
9.269688 9.200879 13.669522 90.00 90.00 90.00
Transformation from parent structure: (a,b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: P21'/c (#14.77) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-b,-c,a;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: 2'/m (5.3.14)
    [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|
Fe1_1Fe0.863500.602400.376304mx,my,mz2.70(5)1.27(8)0.02.98
Fe1_2Fe0.136500.102400.123704mx,my,mz-2.7-1.270.02.98

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



Active Irreps:                                           
Irrep decomposition via


labeldim. small irrepdim. full irrepactionnumber of modes
mGM3- 1 1 primary 3
mGM4- 1 1 primary 3


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Comments (symmetry):

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