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作者:

Chen Xue-An (Chen Xue-An.) | Chen Qian (Chen Qian.) | Xiao Wei-Qiang (Xiao Wei-Qiang.) | Chang Xin-An (Chang Xin-An.)

收录:

SCIE CSCD

摘要:

A new barium aluminoborate, Ba2Al4B6O17, has been synthesized by the high temperature solution reaction at 780 degrees C. The single-crystal XRD analysis shows that it crystallizes in triclinic space group P (1) over bar with a = 8.9601(5), b = 9.1835(6), c = 10.6574(7) angstrom, alpha = 95.050(6)degrees, beta = 111.569(5)degrees, gamma = 90.280(6)degrees, V = 811.71(9) angstrom(3), Z = 2, M-r = 719.46, D-c = 2.944 g/cm(3), mu = 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](n)(4n-) 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 degrees C. 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.

关键词:

Ba2Al4B6O17 borate crystal structure synthesis X-ray diffraction

作者机构:

  • [ 1 ] [Chen Xue-An]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 2 ] [Chen Qian]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 3 ] [Chang Xin-An]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China
  • [ 4 ] [Xiao Wei-Qiang]Beijing Univ Technol, Inst Microstruct & Property Adv Mat, Beijing 100124, Peoples R China

通讯作者信息:

  • [Chen Xue-An]Beijing Univ Technol, Coll Mat Sci & Engn, Beijing 100124, Peoples R China

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来源 :

CHINESE JOURNAL OF STRUCTURAL CHEMISTRY

ISSN: 0254-5861

年份: 2019

期: 8

卷: 38

页码: 1380-1391

2 . 2 0 0

JCR@2022

ESI学科: CHEMISTRY;

ESI高被引阀值:66

JCR分区:4

被引次数:

WoS核心集被引频次: 2

SCOPUS被引频次: 2

ESI高被引论文在榜: 0 展开所有

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