Design and Syntheses of Three Novel Carbonate Halides: Cs3Pb2(CO3)(3)I, KBa2(CO3)(2)F, and RbBa2(CO3)(2)F
Liu, Lili; Yang, Yun; Dong, Xiaoyu; Zhang, Bingbing; Wang, Ying; Yang, Zhihua; Pan, Shilie
2016
发表期刊Chemistry - A European Journal
卷号22期号:9页码:2944-2954
摘要Three new carbonate halides, Cs3 Pb2 (CO3 )3 I, KBa2 (CO3 )2 F and RbBa2 (CO3 )2 F have been synthesized with hydrothermal and solid-state methods. Cs3 Pb2 (CO3 )3 I is the first product in the lead carbonate iodides family; KBa2 (CO3 )2 F and RbBa2 (CO3 )2 F are the first two centrosymmetric compounds found in the alkaline-alkaline earth carbonate fluorides family. Cs3 Pb2 (CO3 )3 I crystallizes in a centrosymmetric space group C2/m, and exhibits a two- dimensional layered structure which is formed by [Cs4 Pb4 (CO3 )6 I2 ] double-layers consisting of [Pb2 (CO3 )3 I] single-layers bridged by the Cs atoms. KBa2 (CO3 )2 F and RbBa2 (CO3 )2 F, which are isostructural, crystallize in a trigonal crystal system with a centric space group of R3 featuring a honeycomb-like framework. First principle calculations indicate that Cs3 Pb2 (CO3 )3 I has a moderate birefringence and explain the difference between the band gaps of the title compounds from electron structures. The effects of cations and halogens on the structures and properties of the title compounds are also discussed.
关键词Crystal Structures Density Functional Calculations Halides Physical Chemistry X-ray Diffraction
DOI10.1002/chem.201504552
收录类别SCI
WOS记录号WOS:000379691100001
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被引频次:11[WOS]   [WOS记录]     [WOS相关记录]
文献类型期刊论文
条目标识符http://ir.xjipc.cas.cn/handle/365002/4349
专题中国科学院特殊环境功能材料与器件重点试验室
作者单位Key Laboratory of Functional Materials and Devices for Special, Environments of CAS, Xinjiang Technical Institute of Physics and Chemistry of CAS, Xinjiang Key Laboratory of Electronic Information Materials and Devices, 40-1 South Beijing Road, Urumqi, P.R. China.
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Liu, Lili,Yang, Yun,Dong, Xiaoyu,et al. Design and Syntheses of Three Novel Carbonate Halides: Cs3Pb2(CO3)(3)I, KBa2(CO3)(2)F, and RbBa2(CO3)(2)F[J]. Chemistry - A European Journal,2016,22(9):2944-2954.
APA Liu, Lili.,Yang, Yun.,Dong, Xiaoyu.,Zhang, Bingbing.,Wang, Ying.,...&Pan, Shilie.(2016).Design and Syntheses of Three Novel Carbonate Halides: Cs3Pb2(CO3)(3)I, KBa2(CO3)(2)F, and RbBa2(CO3)(2)F.Chemistry - A European Journal,22(9),2944-2954.
MLA Liu, Lili,et al."Design and Syntheses of Three Novel Carbonate Halides: Cs3Pb2(CO3)(3)I, KBa2(CO3)(2)F, and RbBa2(CO3)(2)F".Chemistry - A European Journal 22.9(2016):2944-2954.
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