Design of New Borates with Deep Ultraviolet Transparency Inspired by the Flexibility of Unusual Triple-Layered Frameworks

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Borates with a layered framework are promising and charming in linear and nonlinear optics. In this study, the flexibility of an unusual triple-layered B–O framework was explored systemically. It was found that the framework is flexible enough to accommodate diverse alkali metal cations, making it steerable to regular unit arrangement and optical properties. Accordingly, a new borate K 11 NaB 28 O 48, which displays a deep ultraviolet cutoff edge (<190 nm), was designed and synthesized by the method of a high-temperature solution. Moreover, Na 3 B 7 O 12 and K 3 B 7 O 12 with a triple-layered framework were designed through theoretical prediction, proving the flexibility of the framework and the regulatory effect of cations. This work presents a feasible strategy for exploring optical materials based on the flexibility of a layered framework.