Fig. 5: Bonding analysis of halogen nitrides.
From: Formation of twelve-fold iodine coordination at high pressure
a Negative integrated crystal orbital Hamilton population (–ICOHP) of the M–N pairs in R\(\bar{3}\)m-MN6 (M = F, Cl, Br, and I) compounds at 100 GPa. The optimized atomic geometries are shown in the insets. b Pressure-induced variations in –ICOHP and bond lengths for the two types of I–N bonds in R\(\bar{3}\)m-IN6. A positive –ICOHP indicates the presence of bonding states. Source data are provided as a Source Data file.
