Fig. 8. LCAO representations of (A) the conduction band (CB) and (B) valence band (VB) of Cs₂Sn^IV□Br₆ obtained from Fig. 5. Colored lobes represent positive phases and empty lobes represent negative phases. Green and red lines show the 90° X–X bonding and antibonding interactions, respectively, between the bromide p orbitals. (C) DFT band structure of the double perovskite Cs₂Sn^IV□Br₆. The orbital contributions of the Sn atom are given in color with dot size proportional to the size of orbital contribution. Bromide contributions are present but not shown.