Revisiting Na[C(CN)3] – refinement of the crystal structure from X-ray powder diffraction data, the Raman and IR spectra

Abstract The crystal structure of sodium tricyanomethanide Na[C(CN) 3 ] has been confirmed by Rietveld refinement of X-ray powder diffraction data. Additionally, Raman and IR spectra of the title compound have been recorded exhibiting spectra in good agreement with those of other tricyanomethanides. Despite Na[C(CN) 3 ] and K[C(CN) 3 ] crystallizing both in the triclinic space group P 1 ‾ $\overline{1}$ (no. 2), with seemingly similar unit cell parameters, it is demonstrated that they are clearly not isotypic compounds.