• Formula : Sn2OF5
  • Space Group : C2/m (12)
    Centrosymmetric : True
    Dimensionality : 3D
  • Structure parameters
    a = 9.16
    b = 6.643
    c = 8.339
    α = 90.0
    β = 116.52
    γ = 90.0
  • Number of atoms per primitive cell = 16
    Total number of electrons per primitive cell = 138
  • Band gap = 2.3848 eV
    Direct Gap = 2.974 eV
    Metallicity = 0.000
    Topological Z2 indices ν = (0;000)
  • cif file - scf.in - scf.out - bands.in - bands.out
  • Reference:

    Crystal structure of tin(II)dioxodecafluorostannate(IV), Sn~4~O~2~F~10~,
    Zeitschrift f\"ur Kristallographie - New Crystal Structures 214, 147 (1999)

Band structure with spin-orbit coupling