title: Sr3BeB6O13: a new borate in the SrO/BeO/B2O3 system with novel tri-six-membered ring (BeB6O15)10- building block.
abstract: 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) Å, b = 10.029(2) Å, c = 8.0453(16) Å, and Z = 4. The crystal is characterized by an infinite two-dimensional network with a tri-six-membered ring (BeB5O13)(9-) anionic group, which was first found in beryllium borates. Ultraviolet (UV)-visible-near-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 °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.
authors: Beijing Center for Crystal R&D, Key Laboratory of Functional Crystals and Laser Technology of the Chinese Academy of Sciences, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, PR China.
authors: Wenjiao
authors: W
authors: Yao
authors: Hongwei
authors: H
authors: Huang
authors: Jiyong
authors: J
authors: Yao
authors: Tao
authors: T
authors: Xu
authors: Xingxing
authors: X
authors: Jiang
authors: Zheshuai
authors: Z
authors: Lin
authors: Chuangtian
authors: C
authors: Chen