NMR spectra of Li and N in single crystals of Li₃N: discussion of ionic nature

Quadrupole splittings of 7 Li and 14 N were measured in single crystals of Li 3 N as a function of the orientation to the magnetic field. The experimentally determined field gradients are compared with numerically calculated values. Assuming ionic bonding in Li 3 N, the calculated field gradients have a correct interpretation of NMR spectra, in contradiction to conclusions of other authors on their experimental NMR results of polycrystalline Li 3 N. From the orientation dependence of the chemical shift the deformation of the electron cloud of N 3- can be estimated.