Two New Crystals in LimCsnBm+nO2(m plus n) (m plus n=5, 7; m > n) Series: Noncentrosymmetric Li5Cs2B7O14 and Centrosymmetric Li4CsB5O10
Li, L (Li, Lin); Han, SJ (Han, Shujuan); Lei, BH (Lei, Binghua); Dong, XY (Dong, Xiaoyu); Wu, HP (Wu, Hongping); Zhou, ZX (Zhou, Zhongxiang); Yang, ZH (Yang, Zhihua); Pan, SL (Pan, Shilie)
2015
Source PublicationINORGANIC CHEMISTRY
ISSN0020-1669
Volume54Issue:15Pages:7381-7387
Abstract

With the introduction of an alkali metal into the B-O framework, two new alkali metal borate crystals, Li5Cs2B2O14 and Li4CsB5O10, have been obtained for the first time. Both compounds obey a general formula of LimCsnBm+nO2(m+n) (m + n = 5, 7; m > n). The two crystals have different three-dimensional (3D) framework structures composed by LiOn (n= 4, 5), CsO10, BO3, and BO4 units. Li5Cs2B7O14 crystallizes into the polar and noncentrosymmetric space group Ama2, while Li4CsB5O10 belongs to the nonpolar and centrosymmetric space group P2(1)/c. Detailed structure comparison analysis indicates that the different arrangements of the anionic groups in LimCs7-mB7O14 (m = 4, 5) and LimCs5-mB5O10 (m = 3, 4) may arise from the cation size effects, bond-valence requirements, and differences of coordination environment. In addition, in order to get better understandings of electronic structures and linear optical properties, we also carried out first-principle theoretical studies.

DOI10.1021/acs.inorgchem.5b00926
Indexed BySCI
WOS IDWOS:000359096400029
Citation statistics
Cited Times:9[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/4541
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 AuthorHan, SJ (Han, Shujuan)
AffiliationChinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Recommended Citation
GB/T 7714
Li, L ,Han, SJ ,Lei, BH ,et al. Two New Crystals in LimCsnBm+nO2(m plus n) (m plus n=5, 7; m > n) Series: Noncentrosymmetric Li5Cs2B7O14 and Centrosymmetric Li4CsB5O10[J]. INORGANIC CHEMISTRY,2015,54(15):7381-7387.
APA Li, L .,Han, SJ .,Lei, BH .,Dong, XY .,Wu, HP .,...&Pan, SL .(2015).Two New Crystals in LimCsnBm+nO2(m plus n) (m plus n=5, 7; m > n) Series: Noncentrosymmetric Li5Cs2B7O14 and Centrosymmetric Li4CsB5O10.INORGANIC CHEMISTRY,54(15),7381-7387.
MLA Li, L ,et al."Two New Crystals in LimCsnBm+nO2(m plus n) (m plus n=5, 7; m > n) Series: Noncentrosymmetric Li5Cs2B7O14 and Centrosymmetric Li4CsB5O10".INORGANIC CHEMISTRY 54.15(2015):7381-7387.
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