Figure B : The diamond VI₂^S defect geometry.

The figure represents the 3D strucutre near the defect. It can rotate. Click on it and move the mouse. Interstitial atoms (labeled as A and B) are represented in red. The mirror plane has been reported. The same letter is used as label for symmetry related atoms, such as E and E'. Distances and angles of interest have been printed. This figure has been computed with a B3LYP hybrid Hamiltonian and the S₆₄ supercell.