Sr3BeB6O13: A New Borate in the SrO/BeO/B2O3 System with Novel Tri-Six-Membered Ring (BeB6O15)10鈥?/sup> Building Block

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• 作者：Wenjiao Yao ; Hongwei Huang ; Jiyong Yao ; Tao Xu ; Xingxing Jiang ; Zheshuai Lin ; Chuangtian Chen
• 刊名：Inorganic Chemistry
• 出版年：2013
• 出版时间：May 20, 2013
• 年：2013
• 卷：52
• 期：10
• 页码：6136-6141
• 全文大小：411K
• 年卷期：v.52,no.10(May 20, 2013)
• ISSN：1520-510X

文摘

A new polyborate Sr₃BeB₆O₁₃ has been synthesized and grown by the traditional solid-state reaction method and spontaneous crystallization flux method. It crystallizes in orthorhombic space group Pnma (No. 62) with the following unit cell dimensions: a = 12.775(3) 脜, b = 10.029(2) 脜, c = 8.0453(16) 脜, and Z = 4. The crystal is characterized by an infinite two-dimensional network with a tri-six-membered ring (BeB₅O₁₃)^{9鈥?/sup> anionic group, which was first found in beryllium borates. Ultraviolet (UV)鈥搗isible鈥搉ear-infrared diffuse reflectance spectroscopy demonstrates that its UV cutoff edge is below 200 nm, and the first-principles electronic structure calculations reveal its energy band gap of 7.03 eV (175 nm). Thermal analysis exposes its incongruent feature at 1043 掳C. IR spectroscopy measurements are consistent with the crystallographic study. These data reveal that this crystal would be applied as a deep-ultraviolet optical material.}