Ba2B10O17: a new centrosymmetric alkaline-earth metal borate with a deep-UV cut-off edge
Liu, Lili; Su, Xin; Yang, Yun; Pan, Shilie; Dong, Xiaoyu; Han, Shujuan; Zhang, Min; Kang, Jing; Yang, Zhihua
2014
Source PublicationDalton Transactions
ISSN1477-9226
Volume43Issue:23Pages:8905-8910
Abstract

A new centrosymmetric alkaline-earth metal borate, Ba2B 10O17, has been successfully synthesized through high-temperature solid-state reactions. The single-crystal X-ray structural analysis shows that Ba2B10O17 crystallizes in the triclinic space group P1. The parameters of the triclinic unit cell are a = 6.7128(3) A˚, b = 9.8698(4) A˚, c = 9.9998(4) A˚, α = 76.860(3)°, β = 83.200(3)°, γ = 73.332(3)°, and Z = 2. The title compound features a [B10O17]∞ three-dimensional anionic framework with infinite channels in which the Ba 2+ cations are located. Ba2B10O17 possesses a large experimental band gap of 6.29 eV and a short cut-off edge lower than 180 nm proved by the transmission spectrum on a single crystal sample 0.5 mm in thickness. The calculated band structures and the density of states of Ba2B10O17 suggest that its indirect energy gap is 5.97 eV which agrees with the experimental result. The thermal behavior and the IR spectrum of Ba2B10O17 are also reported in this work.

DOI10.1039/c4dt00546e
Indexed BySCI
WOS IDWOS:000336800700037
Citation statistics
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/3822
Collection中国科学院特殊环境功能材料与器件重点试验室
材料物理与化学研究室
Corresponding AuthorYang, Yun
Affiliation1.Xinjiang Tech Inst Phys & Chem CAS, Key Lab Funct Mat & Devices Special Environm CAS, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Liu, Lili,Su, Xin,Yang, Yun,et al. Ba2B10O17: a new centrosymmetric alkaline-earth metal borate with a deep-UV cut-off edge[J]. Dalton Transactions,2014,43(23):8905-8910.
APA Liu, Lili.,Su, Xin.,Yang, Yun.,Pan, Shilie.,Dong, Xiaoyu.,...&Yang, Zhihua.(2014).Ba2B10O17: a new centrosymmetric alkaline-earth metal borate with a deep-UV cut-off edge.Dalton Transactions,43(23),8905-8910.
MLA Liu, Lili,et al."Ba2B10O17: a new centrosymmetric alkaline-earth metal borate with a deep-UV cut-off edge".Dalton Transactions 43.23(2014):8905-8910.
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