Crystal Growth, Structure, and Properties of a Non-Centrosymmetric Fluoride Borate, Ba3Sr4(BO3)3F5

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• 作者：Guochun Zhang ; Zuoliang Liu ; Jianxiu Zhang ; Feidi Fan ; Youchen Liu ; Peizhen Fu
• 刊名：Crystal Growth & Design
• 出版年：2009
• 出版时间：July 1, 2009
• 年：2009
• 卷：9
• 期：7
• 页码：3137-3141
• 全文大小：206K
• 年卷期：v.9,no.7(July 1, 2009)
• ISSN：1528-7505

文摘

A non-centrosymmetric fluoride borate, Ba₃Sr₄(BO₃)₃F₅, has been synthesized by solid state reaction techniques, and a single crystal was grown by the top-seeded solution growth method using NaF as flux. Single-crystal X-ray diffraction analysis shows the structure to be hexagonal with space group P6₃mc (No. 186) and the following cell parameters: a = b = 10.8953(16) Å, c = 6.9381(15) Å, and Z = 2. It exhibits an intricate 3-dimensional framework of interconnecting Ba(1)O(1)₃O(2)₄F(2) polyhedra, Sr(1)O(2)₄F(1)₂F(3) polyhedra, Sr(2)O(2)₆F(1)₃F(3) polyhedra, and isolated BO₃ triangles. The infrared spectrum indicates that the Ba₃Sr₄(BO₃)₃F₅ crystal contains characteristic BO₃³⁻ groups as its basic structural units, which is consistent with the crystallographic study. The transparency spectrum shows that the as-grown crystal is transparent in the wavelength range of 270 to 2550 nm, the highest transmittance exceeds 85%, and the UV cutoff wavelength is about 210 nm.The thermal analysis shows that it is chemically stable and melts congruently at 1174.3 °C.