M2Cd3B16O28 (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer

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	M2Cd3B16O28 (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer
	Dong Xiaoyu; Shi Yunjing; Zhou Zhongxiang; Pan Shilie; Yang Zhihua; Zhang Bingbing; Yang Yun; Chen Zhaohui; Huang Zhenjun
刊名	EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
	2013
期号	2 页码:203-207
关键词	Borates Semiconductors Solid-state structures Alkali metals
ISSN号	1434-1948
中文摘要	Two new isostructural compounds, M2Cd3B16O28 (M = Rb, Cs), have been synthesized by a high-temperature solid-state reaction for the first time. M2Cd3B16O28 (M = Rb, Cs) crystallize in the monoclinic space group C2/c, with a = 21.4856(10) angstrom, b = 7.6852(4) angstrom, c = 13.3694(8) angstrom, beta = 91.705(3)degrees, Z = 4 for Rb2Cd3B16O28 and a = 21.621(3) angstrom, b = 7.6820(11) angstrom, c = 13.4170(18) angstrom, beta = 91.068(8)degrees, Z = 4 for Cs2Cd3B16O28. The compounds crystallize with (B16O34)(infinity) double layers bridged by Cd2+ cations to form three dimensional (3D) structures. The M+ (M = Rb, Cs) cations reside in the tunnels of the (B16O34)(infinity) double layers. First-principle electronic structure calculations show that the calculated band gaps of M2Cd3B16O28 (M = Rb, Cs) are 4.67 and 4.71 eV, respectively, which are in good agreement with the experimental values estimated from UV/Vis/NIR absorption spectroscopy by using the Kubelka-Munk equation, and the observed absorption peak is assigned as a charge transfer from the O 2p state to the Cd 5s state.
学科主题	Chemistry
收录类别	SCI
资助信息	National Key Basic Research Program of China 2012CB626803; National Natural Science Foundation of China U1129301, 51172277, 21101168, 11104344; Main Direction Program of Knowledge Innovation of Chinese Academy of Sciences KJCX2-EW-H03-03; "One Hundred Talents Project Foundation Program" of the Chinese Academy of Sciences; Major Program of Xinjiang Uygur Autonomous Region of China 201130111; "High Technology Research and Development Program" of Xinjiang Uygur Autonomous Region of China 201116143
公开日期	2013-11-07
内容类型	期刊论文
源URL	[http://ir.xjipc.cas.cn/handle/365002/2732]
专题	新疆理化技术研究所_新疆维吾尔自治区电子信息材料与器件重点实验室新疆理化技术研究所_材料物理与化学研究室
作者单位	Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100039, Peoples R China
推荐引用方式 GB/T 7714	Dong Xiaoyu,Shi Yunjing,Zhou Zhongxiang,et al. M2Cd3B16O28 (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer[J]. EUROPEAN JOURNAL OF INORGANIC CHEMISTRY,2013(2):203-207.
APA	Dong Xiaoyu.,Shi Yunjing.,Zhou Zhongxiang.,Pan Shilie.,Yang Zhihua.,...&Huang Zhenjun.(2013).M2Cd3B16O28 (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer.EUROPEAN JOURNAL OF INORGANIC CHEMISTRY(2),203-207.
MLA	Dong Xiaoyu,et al."M2Cd3B16O28 (M = Rb, Cs): Two Isostructural Alkali Cadmium Borates with a New Type of Borate Layer".EUROPEAN JOURNAL OF INORGANIC CHEMISTRY .2(2013):203-207.