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题名: Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)(2)F2Cl and Noncentrosymmetric NaBa4(AlB4O9)(2)Br-3
作者: Yu, HW (Yu, Hongwei); Pan, SL (Pan, Shilie); Wu, HP (Wu, Hongping); Yang, ZH (Yang, Zhihua); Dong, LY (Dong, Lingyun); Su, X (Su, Xin); Zhang, BB (Zhang, Bingbing); Li, HY (Li, Hongyi)
通讯作者: Pan, SL
刊名: CRYSTAL GROWTH & DESIGN
发表日期: 2013
DOI: 10.1021/cg4004774
卷: 13, 期:8, 页:3514-3521
收录类别: SCI
资助者: National Key Basic Research Program of China ;National Natural Science Foundation of China ;Main Direction Program of Knowledge Innovation of Chinese Academy of Sciences
摘要: Two similarly stoichiometric borate halides, NaBa4(AlB4O9)2Br3 and NaBa4(B5O9)2F2Cl, have been successfully designed and synthesized, and their structures were determined by single-crystal X-ray diffraction. Their crystal structures feature the [AlB4O9]∞ and [B5O9]∞ networks, respectively. NaBa4(AlB4O9)2Br3 is noncentrosymmetric and crystallizes in polar space group P42nm, while NaBa4(B5O9)2F2Cl is centrosymmetric and crystallizes in monoclinic space group P21/n. Powder second-harmonic generation (SHG) measurements reveal that NaBa4(AlB4O9)2Br3 has an optical nonlinearity comparable to that of KH2PO4 (KDP) and is type I phase-matchable. In addition, infrared and UV–Vis–NIR diffuse reflectance spectroscopy, as well as electronic band structure calculations, were performed on the reported materials.
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内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/2555
Appears in Collections:新疆维吾尔自治区电子信息材料与器件重点实验室_期刊论文

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作者单位: Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China;Xinjiang Tech Inst Phys & Chem, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China

Recommended Citation:
Yu, HW ,Pan, SL ,Wu, HP ,et al. Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)(2)F2Cl and Noncentrosymmetric NaBa4(AlB4O9)(2)Br-3[J]. CRYSTAL GROWTH & DESIGN,2013,13(8):3514-3521.
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文件名: Effect of Rigid Units on the Symmetry of the Framework Design and Synthesis of Centrosymmetric NaBa4(B5O9)(2)F2Cl and Noncentrosymmetric NaBa4(AlB4O9)(2)Br-3.pdf
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