Abstract
Borates, as advanced optical materials, have garnered wide interest due to their diverse structural configurations and great potential for applications in the ultraviolet (UV) regions. Herein, we synthesized a new rare-earth borate crystal, namely, K2NaYB2O6, which is classified as one of the ABReB2O6 compounds, where A and B represent alkali metal and Re denotes rare-earth metal. K2NaYB2O6 adopts in the monoclinic space group P21/c (No. 14), showcasing a three-dimensional (3D) framework composed of a planar triangular configuration of [BO3] units and distortive [YO7] polyhedra. Notably, both dihedral angles between distinct [BO3] units reach 79.6°, which represents an unprecedented structural feature in monoclinic ABReB2O6-type crystals. Moreover, the compound has a short UV absorption edge at around 204 nm, corresponding to a wide band gap of approximately 5.67 eV. Additionally, it possesses a moderate birefringence of 0.028 at 1064 nm. Further analysis utilizing theoretical calculations suggests that the optical behaviors of K2NaYB2O6 are mainly governed by its basic structural unit [BO3] triangles and distorted [YO7] polyhedra. These findings enrich the structure chemistry of rare-earth borates and offer valuable insights for the design of optical crystals in the UV wavelength range.
Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
