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 M8[BeZO4]6X2; 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 9Be magic-angle spinning nuclear magnetic resonance (MASNMR). Spectra show a single sharp resonance for 9Be(OSi)4 in the chemical shift range +/- 1 ppm from 0.1 M BeCl2. Correlations between the Be-O-Z bond angles and the 9Be chemical shift are reported and show upfield shifts for larger angles as seen previously in MASNMR spectra for 29Si and 27Al.