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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] .
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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:139