Be2BO3F：一种源自KBe2BO3F2且具有短紫外吸收边的氟硼酸铍物相。
Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge.
作者信息
Guo Shu, Liu Lijuan, Xia Mingjun, Kang Lei, Huang Qian, Li Chao, Wang Xiaoyang, Lin Zheshuai, Chen Chuangtian
机构信息
Beijing Center for Crystal Research and Development, Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences , Beijing 100190, China.
University of Chinese Academy of Sciences , Beijing 100049, People's Republic of China.
出版信息
Inorg Chem. 2016 Jul 5;55(13):6586-91. doi: 10.1021/acs.inorgchem.6b00755. Epub 2016 Jun 22.
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 and the tetrahedral BeO3F 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.
通过高温溶液自发成核成功地生长出了一种铍氟硼酸盐Be2BO3F（BBF）相。该晶体属于R3̅c（编号167）的三方空间群，晶格参数a = 4.442(1) Å，c = 24.956(5) Å，Z = 2。它由无限平面[Be2BO3F2]∞层构成，其中平面三角形BO3和四面体BeO3F阴离子基团在每个ab平面中通过共用角顶O原子平行排列。BBF是一种不一致熔融化合物，在约650 °C分解。深紫外（DUV）透过光谱表明其紫外截止波长低至约150 nm。理论计算表明BBF具有大的双折射（在200 nm处Δn = 0.13），这主要源于无限平面[Be2BO3F2]∞层。总之，BBF可能是一种潜在的深紫外双折射材料。
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