Structural Insights into Borates with an Anion-Templated Open-Framework Configuration: Asymmetric K2 BaB16 O26 versus Centrosymmetric K3 CsB20 O32 and Na2 M2 NB18 O30 (M=Rb, Cs; N=Ba, Pb).
Mutailipu, Miriding; Zhang, Min; Su, Xin; Yang, Zhihua; Chen, Yanna; Pan, Shilie
2017
Source PublicationChemistry - A European Journal
ISSN0947-6539
Volume23Issue:56Pages:13910–13918
Abstract

Five new mixed-metal borate crystals, namely, K2 BaB16 O26 , K3 CsB20 O32 , Na2 Cs2 BaB18 O30 , Na2 Rb2 PbB18 O30 , and Na2 Cs2 PbB18 O30 , have been synthesized by the high-temperature solution method. These structures were characterized by single-crystal X-ray diffraction and their B-O configurations are shown to feature complicated three-dimensional (3D) open-framework structures incorporating different types of channels. For all five compounds, the frameworks can be reduced to four-connected (4-c) uninodal nets with sra-, dia- and nbo-type topologies by assigning the [B5 O10 ]5- and [B3 O7 ]5- clusters as basic nodes. First-principles calculations have shown that the multiple cations in mixed-metal borates influence the ground-state electronic structures and associated optical absorptions. In addition, the crystal structures, thermal stabilities, and IR spectra of the title compounds have also been performed.

DOI10.1002/chem.201702891
Indexed BySCI
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Cited Times:12[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.xjipc.cas.cn/handle/365002/4925
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 AuthorZhang, Min; Yang, Zhihua; Pan, Shilie
Affiliation1.Chinese Acad Sci, Xinjiang Key Lab Elect Informat Mat & Devices, Xinjiang Tech Inst Phys & Chem, Key Lab Funct Mat & Devices Special Environm, 40-1 South Beijing Rd, Urumqi 830011, Peoples R China
2.Univ Chinese Acad Sci, Beijing 100049, Peoples R China
3.Yili Normal Univ, Coll Phys Sci & Technol, Xinjiang Lab Phase Transit & Microstruct Condense, Yining 835000, Xinjiang, Peoples R China
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Mutailipu, Miriding,Zhang, Min,Su, Xin,et al. Structural Insights into Borates with an Anion-Templated Open-Framework Configuration: Asymmetric K2 BaB16 O26 versus Centrosymmetric K3 CsB20 O32 and Na2 M2 NB18 O30 (M=Rb, Cs; N=Ba, Pb).[J]. Chemistry - A European Journal,2017,23(56):13910–13918.
APA Mutailipu, Miriding,Zhang, Min,Su, Xin,Yang, Zhihua,Chen, Yanna,&Pan, Shilie.(2017).Structural Insights into Borates with an Anion-Templated Open-Framework Configuration: Asymmetric K2 BaB16 O26 versus Centrosymmetric K3 CsB20 O32 and Na2 M2 NB18 O30 (M=Rb, Cs; N=Ba, Pb)..Chemistry - A European Journal,23(56),13910–13918.
MLA Mutailipu, Miriding,et al."Structural Insights into Borates with an Anion-Templated Open-Framework Configuration: Asymmetric K2 BaB16 O26 versus Centrosymmetric K3 CsB20 O32 and Na2 M2 NB18 O30 (M=Rb, Cs; N=Ba, Pb).".Chemistry - A European Journal 23.56(2017):13910–13918.
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