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作者:

Chen, Xuean (Chen, Xuean.) | Chen, Qian (Chen, Qian.) | Chang, Xinan (Chang, Xinan.) | Xiao, Weiqiang (Xiao, Weiqiang.)

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SCIE

摘要:

( )A new solid solution, Ba5.47Sr0.53Al4B14O33, has been synthesized by a high-temperature solution reaction at 770 degrees C. The compound crystallizes in the space group P1 with a= 6.86873 (13) angstrom, b =6.96992 (13) angstrom, c= 14.5370 (3) angstrom, alpha =88.8075 (15)degrees, beta=86.5809(15)degrees, gamma=83.2613 (14)degrees, V= 689.84 (2) angstrom(3), and Z=1. It features a three-dimensional (3D) [Al-4(B6O14) (B6O13)(BO3)(2)](n)(12n-) framework with intersecting channels occupied by Ba2+ and (Ba/Sr)(2+) cations. The framework is constructed by 1D IAl2(B6O14)(B6O13)(BO3)(2)](n)(18n- )chains and 1D IAl2O7](n)(18n-) chains interconnected via B-O-Al bridges. The compound melts incongruently at 844 degrees C. The existence of BO3 and BO4 groups in the structure was indicated by vibrational spectroscopy. A high degree of transparency in the visible wavelength range and a band gap of 3.37 eV were revealed by UV-VIS diffuse reflectance spectra. The band structure and bonding properties have been investigated and the insulating nature with a direct energy gap was confirmed. [GRAPHICS] .

关键词:

Ba5.47Sr0.53Al4B14O33 Band structure Borate Crystal structure X-ray diffraction

作者机构:

  • [ 1 ] [Chen, Xuean]Beijing Univ Technol, Coll Mat Sci & Engn, Ping Le Yuan 100, Beijing 100124, Peoples R China
  • [ 2 ] [Chen, Qian]Beijing Univ Technol, Coll Mat Sci & Engn, Ping Le Yuan 100, Beijing 100124, Peoples R China
  • [ 3 ] [Chang, Xinan]Beijing Univ Technol, Coll Mat Sci & Engn, Ping Le Yuan 100, Beijing 100124, Peoples R China
  • [ 4 ] [Xiao, Weiqiang]Beijing Univ Technol, Inst Microstruct & Property Adv Mat, Beijing 100124, Peoples R China

通讯作者信息:

  • [Chen, Xuean]Beijing Univ Technol, Coll Mat Sci & Engn, Ping Le Yuan 100, Beijing 100124, Peoples R China

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来源 :

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY

ISSN: 1074-1542

年份: 2020

期: 3

卷: 50

页码: 267-277

0 . 8 0 0

JCR@2022

ESI学科: CHEMISTRY;

ESI高被引阀值:33

JCR分区:4

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