Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge

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• 作者：Shu Guo ; Lijuan Liu ; Mingjun Xia ; Lei Kang ; Qian Huang ; Chao Li ; Xiaoyang Wang ; Zheshuai Lin ; Chuangtian Chen
• 刊名：Inorganic Chemistry
• 出版年：2016
• 出版时间：July 5, 2016
• 年：2016
• 卷：55
• 期：13
• 页码：6586-6591
• 全文大小：492K
• 年卷期：0
• ISSN：1520-510X

文摘

A phase of beryllium fluoride borate Be₂BO₃F (BBF) was successfully developed and grown by spontaneous nucleation from high temperature solution. The crystal belongs to the trigonal space group of R3̅c (No. 167), with lattice parameters a = 4.442(1) Å, c = 24.956(5) Å, and Z = 2. It is constructed by the infinite planar [Be₂BO₃F₂]_∞ layers, in which the planar triangle [BO₃]^3– and the tetrahedral [BeO₃F]^5– anionic groups are arranged in parallel via corner-sharing O atoms in each ab plane. BBF is an incongruent compound and decomposes at about 650 °C. The deep-ultraviolet (DUV) transmittance spectrum reveals that its UV cutoff wavelength is down to ∼150 nm. Theoretical calculations show that BBF has a large birefringence (Δn = 0.13 at 200 nm), which mainly originates from the infinite planar [Be₂BO₃F₂]_∞ layers. In conclusion, BBF may be served as a potential DUV birefringent material.