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On single crystals of NaAlCl 4  the NMR- and NQR-spectra of  23 Na,  27 Al, and  35 Cl were studied at room temperature. The crystal structure of NaAlCl 4  has been refined. A comparison of the NMR (NQR) data with the crystal structure data shows that the electric field gradients (EFG) at the chlorine sites are mainly determined by the partial covalency of the Al-Cl bond, whereas the EFG at the aluminum sites is determined by the small deviations of the AlCl 4  ion from tetrahedral symmetry and by the influence of the lattice. ∣ e 2  q Q/h ∣ ( 23 Na) proves the dominant ionic character of sodium in the lattice. The experimental results for the crystal structure show minor deviations from Baenziger's data.

X-Ray, NMR, and NQR Investigations of the Crystal Structure and Charge Distribution of Sodium Tetrachloroaluminate, NaAlCl 4