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Synthesis and Characterization of a New Solid Solution, Ba5.47Sr0.53Al4B14O33

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Abstract

A new solid solution, Ba5.47Sr0.53Al4B14O33, has been synthesized by a high-temperature solution reaction at 770 °C. The compound crystallizes in the space group P1 with a = 6.86873 (13) Å, b = 6.96992 (13) Å, c = 14.5370 (3) Å, α =88.8075 (15)°, β =86.5809(15)°, γ =83.2613 (14)°, V = 689.84 (2) Å3, and Z = 1. It features a three-dimensional (3D) [Al4(B6O14)(B6O13)(BO3)2]12n−n framework with intersecting channels occupied by Ba2+ and (Ba/Sr)2+ cations. The framework is constructed by 1D [Al2(B6O14)(B6O13)(BO3)2]18n−n chains and 1D [Al2O7]8n−n chains interconnected via B–O–Al bridges. The compound melts incongruently at 844 °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.

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The manuscript describes the synthesis, crystal structure, vibrational spectroscopy, UV-vis spectrum, thermal stability, and theoretical electronic structure of a new solid solution Ba5.47Sr0.53Al4B14O33.

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Acknowledgments

This work was supported by the National Natural Science Foundation of China (Grant No. 20871012).

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Authors and Affiliations

  1. College of Materials Science and Engineering, Beijing University of Technology, Ping Le Yuan 100, Beijing, 100124, People’s Republic of China

    Xuean Chen, Qian Chen & Xinan Chang

  2. Institute of Microstructure and Property of Advanced Materials, Beijing University of Technology, Beijing, 100124, People’s Republic of China

    Weiqiang Xiao

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  1. Xuean Chen
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  2. Qian Chen
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Correspondence to Xuean Chen.

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Chen, X., Chen, Q., Chang, X. et al. Synthesis and Characterization of a New Solid Solution, Ba5.47Sr0.53Al4B14O33. J Chem Crystallogr 50, 267–277 (2020). https://doi.org/10.1007/s10870-020-00848-z

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