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Mg 2 Pb 2 Si 2 O 7 F 2 : a new lead-containing alkali earth metal silicate fluoride with a short cutoff edge

A new silicate fluoride, Mg 2 Pb 2 Si 2 O 7 F 2 , has been successfully synthesized using a high-temperature solution method. It crystallizes in the orthorhombic space group Pbcn (No. 60). Mg 2 Pb 2 Si 2 O 7 F 2 is the first lead-containing alkali earth metal silicate fluoride. The optical character...

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Bibliographic Details
Published in:New journal of chemistry 2023-09, Vol.47 (37), p.17413-17419
Main Authors: Zhang, Zhiyuan, Deng, Lihan, Xu, Die, Hu, Mei, Wu, Zhencheng, Su, Xin, Huang, Yineng
Format: Article
Language:English
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Summary:A new silicate fluoride, Mg 2 Pb 2 Si 2 O 7 F 2 , has been successfully synthesized using a high-temperature solution method. It crystallizes in the orthorhombic space group Pbcn (No. 60). Mg 2 Pb 2 Si 2 O 7 F 2 is the first lead-containing alkali earth metal silicate fluoride. The optical characterization indicates that Mg 2 Pb 2 Si 2 O 7 F 2 possesses a wide transparent window. To confirm the coordination environment of Si and its thermostability, infrared spectra and thermal behaviors were also analyzed. First-principles calculations were also implemented for a better understanding of the relationship between the structure of Mg 2 Pb 2 Si 2 O 7 F 2 and its properties. Additionally, to further explore the structural novelty of Mg 2 Pb 2 Si 2 O 7 F 2 , its structure is compared with anionic structures of silicate fluorides with alkali metals, alkaline earth metals or lone pair metal cations. Interestingly, the results indicate that the isolated [Si 2 O 7 ] dimer is rare among the above systems, which enriches the structural chemistry of silicate fluorides.
ISSN:1144-0546
1369-9261
DOI:10.1039/D3NJ03141A