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

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LiFeSO4F (#1.155)

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Magnetic structure with all atoms

Magnetic structure with only magnetic atoms


Reference: B.C. Melot, G. Rousse, J.-N. Chotard, M. Ati, J. Rodriguez-Carvajal, M.C. Kemei and J.-M. Tarascon, Chemistry of Materials (2011) 23 2922-2930.
DOI: 10.1021/cm200465u
Atomic positions from: ICSD #182944

Parent space group (paramagnetic phase): P-1 (#2)
Propagation vector: k1 (1/2, 1/2, 0)

Transition Temperature: 25 K
Experiment Temperature: 2 K

Lattice parameters of the magnetic unit cell:
10.36010 10.98330 7.22890 106.49 107.19 97.91
Transformation from parent structure: (2a,2b,c;0,0,0)
    [View matrix form]

BNS Magnetic Space Group: PS-1 (#2.7) (non-standard)
    [View symmetry operations]
Transformation to a standard setting: (-c,1/2a+1/2b,a;0,0,0)
    [View matrix form]
Systematic absences for this Magnetic Space Group via

Magnetic Point Group: -1.1' (2.2.4)
    [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|
Fe1Fe0.000000.000000.500004mx,my,mz1.73(5)-2.73(4)1.36(5)3.78
Fe2Fe0.000000.000000.000004mx,my,mz-1.732.73-1.363.78

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



Active Irreps:                                           
Irrep decomposition via


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