Figure 5.
Left: The ILB1 phase of C6N9H3·HCl obtained at high pressure from DFT calculations.In the real structure studied experimentally the Cl− displacements above and below the layers can occur in a random or locally ordered fashion. Right: picture highlighting the formation of pillars with three-dimensional connectivity between the carbon nitride layers produced by interlayer bonding within a mixed sp2–sp3 bonded state; the pillars are connected within the planes by relatively undistorted triazine rings.