Figure C : The diamond VI₁ 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 A') are represented in red. Two symmetry operators have been reported : a mirror plan and A₂ rotation axis in grey and blue, respectively (inversion center has not been represented). The same letter is used as label for symmetry related atoms, such as A and A'. Distances and angles of interest have been printed. This figure has been computed with a B3LYP hybrid Hamiltonian and the S₁₂₈ supercell.