Synthesis and Characterization of a New Barium Aluminoborate, Ba2Al4B6O17

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摘要

A new barium aluminoborate, Ba2Al4B6O17, has been synthesized by the high- temperature solution reaction at 780 ℃. The single-crystal XRD analysis shows that it crystallizes in triclinic space group P with a = 8.9601(5), b = 9.1835(6), c = 10.6574(7) Å,  = 95.050(6),  = 111.569(5),  = 90.280(6), V = 811.71(9) Å3, Z = 2, Mr = 719.46, Dc = 2.944 g/cm3, μ = 5.127 mm-1, F(000) = 660, R = 0.0361 and wR = 0.0855 for 3846 observed reflections and 262 variables. This compound represents a new structure that features a three-dimensional [Al4B6O17]n4n- framework constructed by AlO4 tetrahedra, BO3 triangles, and B2O54- groups composed of two corner-sharing BO3 triangles, with intersecting open channels accommodating Ba2+ cations. It melts incongruently at 849 ℃. The existence of BO3 groups is confirmed by FT-IR and Raman spectra. The insulating nature with an optical band gap of about 3.50 eV is revealed by UV-VIS diffuse reflectance spectrum. Band structure calculations indicate that it is an indirect band material.

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	陈学安
	陈前
	肖卫强
	常新安

关键词 ： Ba2Al4B6O17, borate, synthesis, X-ray diffraction, crystal structure

Abstract：

Key words： Ba2Al4B6O17 borate synthesis X-ray diffraction crystal structure

收稿日期: 2018-11-05 出版日期: 2019-08-12

基金资助:

Supported by the National Natural Science Foundation of China (No. 20871012)

通讯作者: xueanchen@bjut.edu.cn E-mail: xueanchen@bjut.edu.cn

引用本文:

陈学安;陈前;肖卫强;常新安. Synthesis and Characterization of a New Barium Aluminoborate, Ba₂Al₄B₆O₁₇[J]. 结构化学, 2019, 38(8): 1380-1391.
CHEN Xue-An;CHEN Qian;XIAO Wei-Qiang;CHANG Xin-An. Synthesis and Characterization of a New Barium Aluminoborate, Ba₂Al₄B₆O₁₇. CHINESE JOURNAL OF STRUCTURAL CHEMISTRY, 2019, 38(8): 1380-1391.

链接本文:

http://manu30.magtech.com.cn/jghx/CN/ 或 http://manu30.magtech.com.cn/jghx/CN/Y2019/V38/I8/1380

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