Ba2B6O11, a Member of the BaO-B2O3 Family, Featuring a Layer Framework
Liu, LL (Liu, Lili); Yang, Y (Yang, Yun); Dong, XY (Dong, Xiaoyu); Lei, C (Lei, Chen); Han, SJ (Han, Shujuan); Pan, SL (Pan, Shilie); Yang, Y
2015
发表期刊EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
期号20页码:3328-3335
摘要Ba2B6O11, a new member of the BaO-B2O3 family, has been found and features a layered structure. The single-crystal Xray structural analysis revealed that Ba2B6O11 crystallizes in the monoclinic space group P2(1)/c. The parameters of the monoclinic unit cell are a = 9.115(1), b = 7.773(1), c = 12.696(2) angstrom, beta = 100.325(9)degrees, and Z = 4. The new centrosymmetric alkaline earth metal borate, Ba2B6O11, is characterized by a 2D B-O framework composed of the basic building block (B6O14) with the Ba2+ cations filling the channels formed by the (B6O14) units or located between the (B6O10)infinity layers. Ba2B6O11 has a short cut-off edge of 240 nm. Based on a theoretical calculation, it has been proven that Ba2B6O11 has a birefringence of 0.04 and a relatively large indirect band gap of 4.94 eV, which is close to the experimental value of 5.17 eV. Its structure is discussed in terms of the B-O framework and dimensional reduction formalism together with the other structures reported in the BaO-B2O3 phase diagram.
关键词Layered Compounds Electronic Structure Barium Borates
DOI10.1002/ejic.201500399
收录类别SCI
WOS记录号WOS:000359296600014
引用统计
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/4879
专题中国科学院特殊环境功能材料与器件重点试验室
通讯作者Yang, Y
作者单位1.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
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Liu, LL ,Yang, Y ,Dong, XY ,et al. Ba2B6O11, a Member of the BaO-B2O3 Family, Featuring a Layer Framework[J]. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY,2015(20):3328-3335.
APA Liu, LL .,Yang, Y .,Dong, XY .,Lei, C .,Han, SJ .,...&Yang, Y.(2015).Ba2B6O11, a Member of the BaO-B2O3 Family, Featuring a Layer Framework.EUROPEAN JOURNAL OF INORGANIC CHEMISTRY(20),3328-3335.
MLA Liu, LL ,et al."Ba2B6O11, a Member of the BaO-B2O3 Family, Featuring a Layer Framework".EUROPEAN JOURNAL OF INORGANIC CHEMISTRY .20(2015):3328-3335.
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