Na 3 B 7 O 11 F 2 : a new sodium-rich fluorooxoborate with a unique [B 14 O 24 F 4 ] ring and a short ultraviolet absorption edge

A new sodium-rich fluorooxoborate Na 3 B 7 O 11 F 2 features a novel large [B 14 O 24 F 4 ] ring formed by two corner-shared [B 7 O 13 F 2 ] groups, each containing two [B 3 O 7 ] anionic units linked by a [BO 2 F 2 ] group. The band gap of the title compound calculated by using first-principles cal...

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Bibliographic Details
Published in:Dalton transactions : an international journal of inorganic chemistry 2019, Vol.48 (1), p.21-24
Main Authors: Tang, Changcheng, Jiang, XingXing, Yin, Wenlong, Liu, Lijuan, Xia, Mingjun, Huang, Qian, Song, Gaomin, Wang, Xiaoyang, Lin, Zheshuai, Chen, Chuangtian
Format: Article
Language:English
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Summary:A new sodium-rich fluorooxoborate Na 3 B 7 O 11 F 2 features a novel large [B 14 O 24 F 4 ] ring formed by two corner-shared [B 7 O 13 F 2 ] groups, each containing two [B 3 O 7 ] anionic units linked by a [BO 2 F 2 ] group. The band gap of the title compound calculated by using first-principles calculations is 7.69 eV (∼161 nm) and the birefringence refractive index is 0.083 at 193 nm. The results show that it is potentially an excellent deep-ultraviolet (DUV) birefringence crystal.
ISSN:1477-9226
1477-9234
DOI:10.1039/C8DT03348J