Correlations between ⁹Be magic-angle spinning nuclear magnetic resonance spectra and the geometry of beryllium containing framework structures

A range of sodalite framework structures containing beryllium with general formula M[BeZO]X; M = Cd, Zn, Z = Si, Ge and X = S, Se or Te have been synthesised. The structures of these materials, which contain a single beryllium environment, have been refined from powder neutron diffraction or powder X-ray diffraction data and the compounds further characterised using Be magic-angle spinning nuclear magnetic resonance (MASNMR). Spectra show a single sharp resonance for Be(OSi) in the chemical shift range ± 1 ppm from 0.1 M BeCl. Correlations between the Be-O-Z bond angles and the Be chemical shift are reported and show upfield shifts for larger angles as seen previously in MASNMR spectra for Si and Al.