Exploring the influence of cationic skeletons on the arrangement of isolated BO3 groups based on RbMgBO3, CsZn4(BO3)3 and Cs4Mg4(BO3)4

Abstract

The structures of three borates with isolated BO₃ groups, RbMgBO₃, CsZn₄(BO₃)₃ and Cs₄Mg₄(BO₃)₄, are determined from single crystal diffraction data for the first time. The introduction of small cations (Mg²⁺ and Zn²⁺) with strong bonding can prevent the formation of the B–O network effectively, and is beneficial to obtain the isolated BO₃ groups. Moreover, the cationic skeletons composed of small cations significantly affect the arrangement of isolated BO₃ groups. Thermal analysis, infrared and UV-Vis-NIR diffuse reflectance spectroscopy, and electronic band structure calculations were performed for the reported materials.