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Published on: January 10, 2025
Na3B7O11F2: a new sodium-rich fluorooxoborate with a unique [B14O24F4] ring and a short ultraviolet absorption edge
Changcheng Tang1, XingXing Jiang, Wenlong Yin
1Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology of Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, China. xywang@mail.ipc.ac.cn.
Abstract:
A new sodium-rich fluorooxoborate Na3B7O11F2 features a novel large [B14O24F4] ring formed by two corner-shared [B7O13F2] groups, each containing two [B3O7] anionic units linked by a [BO2F2] group. The band gap of the title compound calculated by using first-principles calculations is 7.69 eV (∼161 nm) and the birefringence refractive index is 0.083 at 193 nm. The results show that it is potentially an excellent deep-ultraviolet (DUV) birefringence crystal.
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