A new acentric borate–nitrate Cs3B8O13(NO3) with interpenetrating porous 3D covalent and ionic lattices

Abstract

A new acentric borate–nitrate Cs₃B₈O₁₃(NO₃) was synthesized by a molten salt method which consists of interpenetrating porous 3D covalent [B₈O₁₃]_∞ and ionic [(NO₃)Cs₃]_∞ lattices. It shows low ultraviolet cut-off edge (202 nm) and phase-matching second harmonic generation (SHG) intensity (0.7 KDP @1064 nm). First principles calculations showed that the main source of SHG is the cooperation of the B–O and [NO₃]⁻ groups.