• Formula : Sn2OF2
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 1D
  • Structure parameters
    a = 9.296
    b = 8.076
    c = 5.074
    α = 90.0
    β = 97.9
    γ = 90.0
  • Number of atoms per primitive cell = 10
    Total number of electrons per primitive cell = 96
  • Band gap = 2.5696 eV
    Direct Gap = 2.686 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Synthese et structure cristalline du bis(difluorooxostannate(II)) d'etain(II), (Sn2 O2 F4) Sn2,
    Acta Crystallographica B (24,1968-38,1982) 33, 1489 (1977)

Band structure with spin-orbit coupling