Sodalite‐type Ga16/3[P12N24]O2: Synthesis, Electron Crystallography and Powder X‐ray Diffraction

Abstract

AbstractThe gallium(III) nitridophosphate‐oxide Ga16/3[P12N24]O2 was synthesized by metathesis reaction between GaF3 and LiPN2. The crystal structure was elucidated by electron crystallography and powder X‐ray diffraction, comparing both approaches. This reveals a partially collapsed sodalite‐type structure (space group I 3m, a=8.1585(2) Å) with a tilt angle ϕ of ∼33°. Vertex‐sharing PN4 tetrahedra build up a sodalite network that hosts gallium(III) cations and oxide anions. Gallium forms bonds to further three N atoms. The structure model is confirmed by EDX analyses, IR spectroscopy and bond valence sum calculations.