Effect of Halogen (Cl, Br) on the Symmetry of Flexible Perovskite-Related Framework
Bai, CY (Bai, Chunyan)1; Yu, HW (Yu, Hongwei)1; Han, SJ (Han, Shujuan)1; Pan, SL (Pan, Shilie)1; Zhang, BB (Zhang, Bingbing)1; Wang, Y (Wang, Ying)1; Wu, HP (Wu, Hongping)1; Yang, ZH (Yang, Zhihua)1; Han, SJ
2014
发表期刊INORGANIC CHEMISTRY
卷号53期号:20页码:11213-11220
摘要The perovskite structure is a good candidate for the design of functional materials. On the basis of the combination of B6O13 groups and XM6 (X = Cl, Br; M = alkali metals) octahedra, three new perovskite-related crystals Na3B6O10Cl, RbNa(2)B6O(10)Cl, and RbNa2B6O10Br have been synthesized by a high-temperature solution method for the first time. Na3B6O10Cl and RbNa2B6O10Cl are isostructural and crystallize in the noncentrosymmetric (NCS) space group P2(1)2(1)2(1) (No. 19), while RbNa2B6O10Br belongs to the centrosymmetric (CS) space group Pnma (No. 62). The phenomenon that Cl-containing borates are not isostructural with corresponding Br-containing borates is extremely rare among borates. Detailed structure analysis suggests that the difference is owing to the effect of the halogen (Cl, Br) on the symmetry of the flexible perovskite-related framework. In addition, thermal analyses, IR spectroscopy, the UV-vis-NIR diffuse reflectance spectrum, and first-principles theoretical studies have also been performed on the three compounds.
DOI10.1021/ic501814q
收录类别SCI
WOS记录号WOS:000343527700053
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文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/4901
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Han, SJ
作者单位1.Xinjiang Tech Inst Phys & Chem CAS, Xinjiang Key Lab Elect Informat Mat & Devices, Key Lab Funct Mat & Devices Special Environm CAS, Urumqi 830011, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
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Bai, CY ,Yu, HW ,Han, SJ ,et al. Effect of Halogen (Cl, Br) on the Symmetry of Flexible Perovskite-Related Framework[J]. INORGANIC CHEMISTRY,2014,53(20):11213-11220.
APA Bai, CY .,Yu, HW .,Han, SJ .,Pan, SL .,Zhang, BB .,...&Han, SJ.(2014).Effect of Halogen (Cl, Br) on the Symmetry of Flexible Perovskite-Related Framework.INORGANIC CHEMISTRY,53(20),11213-11220.
MLA Bai, CY ,et al."Effect of Halogen (Cl, Br) on the Symmetry of Flexible Perovskite-Related Framework".INORGANIC CHEMISTRY 53.20(2014):11213-11220.
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