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题名: Syntheses, structures and characterizations of Rb3Na(MO4)(2) (M = Mo, W) crystals
作者: Bai, Chunyan; Lei, Chen; Pan, Shilie; Wang, Ying; Yang, Zhihua; Han, Shujuan; Yu, Hongwei; Yang, Yun; Zhang, Fangyuan
通讯作者: Pan, SL
关键词: Rb3Na(MoO4)(2) ; Rb3Na(WO4)(2) ; Crystal structure ; X-ray diffraction
刊名: Solid State Sciences
发表日期: 2014
DOI: 10.1016/j.solidstatesciences.2014.04.011
卷: 33, 期:7, 页:32-37
收录类别: SCI
摘要: Two new compounds, Rb3Na(MoO4)2 and Rb3Na(WO4)2, have been synthesized by conventional solid-state reaction. Single-crystal X-ray diffraction analysis revealed that they crystallize in the same space group P3¯m1 (No. 164) with the trigonal unit cell sizes of a = 6.138(2) A˚, c = 7.844(3) A˚ for the Mo compound and a = 6.161(4) A˚, c = 7.847(6) A˚ for the W compound. Both structures contain an infinite three-dimensional (3D) matrix that is built from isolated MO4 (M = Mo, W) tetrahedra, Rb(1)O 12, Rb(2)O10 polyhedra and NaO6 octahedra. In addition, the infrared spectroscopy spectrum (IR) and bond valence sums (BVS) calculations are used to verify the validity of the structures. The differential scanning calorimetry (DSC) and powder X-ray diffraction (XRD) results prove that both of them are congruently melting compounds. And the first-principle theoretical studies are also carried out to aid the understanding of their electronic structures.
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内容类型: 期刊论文
URI标识: http://ir.xjipc.cas.cn/handle/365002/3765
Appears in Collections:中国科学院特殊环境功能材料与器件重点试验室_期刊论文

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

Recommended Citation:
Bai, Chunyan,Lei, Chen,Pan, Shilie,et al. Syntheses, structures and characterizations of Rb3Na(MO4)(2) (M = Mo, W) crystals[J]. Solid State Sciences,2014,33(7):32-37.
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文件名: Syntheses, structures and characterizations of Rb3Na(MO4)(2) (M = Mo, W) crystals.pdf
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