According to the integration of RDFs, the Ni2+ ion coordinates 6 ligands in its first solvation shell. Considering the aqueous case, Ni2+ ion coordinates the same number of ligands but the average Ni2+–N distance is longer by about 0.2 Å compared to the average first shell Ni2+–O radius. This indicates that ligands in the first shell of liquid ammonia are more loosely bound thus showing a higher flexibility compared to water