A new ternary borate, RbCdB3O6 has been synthesized by solid-state reaction and its structure was determined by single-crystal X-ray diffraction. It crystallizes in the monoclinic space group C2/c, and in its crystal structure, RbO10 polyhedra and B3O6 rings comprise a three dimensional (3D) framework containing tunnels viewing along [1 0 1] direction in which Cd atoms are located to balance the charge. A comparison of the structures of RbCdB3O6, α-BaB 2O4 and β-BaB2O4 is presented. The IR, UV-Vis-IR absorption spectra and the thermal properties of RbCdB 3O6 have also been reported. The electronic structure and birefringence have been calculated by the first-principle method based on the density-functional theory.
Key Laboratory of Functional Materials and Devices for Special Environments of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, Xinjiang Technical Institute of Physics and Chemistry of CAS, 40-1 South Beijing Road, Urumqi 830011, China
Jiao, Anqing,Wu, Hongping,Pan, Shilie,et al. Synthesis, structure, and characterization of a new rubidium cadmium borate: RbCdB3O6[J]. Journal of Alloys and Compounds,2014,588(3):514-518.