Abstract
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 [101] direction in which Cd atoms are located to balance the charge. A comparison of the structures of RbCdB3O6, α-BaB2O4 and β-BaB2O4 is presented. The IR, UV–Vis-IR absorption spectra and the thermal properties of RbCdB3O6 have also been reported. The electronic structure and birefringence have been calculated by the first-principle method based on the density-functional theory.
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