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Synthesis,Crystal Structure,and Optical Property of Zero-dimensional Quaternary Thioborate:Ba9B3GaS15

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【作者】 王金秋刘鹏飞黎艳艳吴立明

【Author】 WANG Jin-Qiu;LIU Peng-Fei;LI Yan-Yan;WU Li-Ming;Key Laboratory of Optoelectronic Materials Chemistry and Physics,Fujian Institute of Research on the Structure of Matter,Chinese Academy of Sciences;University of Chinese Academy of Sciences;

【机构】 Key Laboratory of Optoelectronic Materials Chemistry and Physics,Fujian Institute of Research on the Structure of Matter,Chinese Academy of SciencesUniversity of Chinese Academy of Sciences

【摘要】 A new zero-dimensional(0D) thioborate Ba9B3GaS15 has been discovered by conventional high-temperature solid-state reaction. The compound crystallizes in orthorhombic space group Pbca with a = 8.4759(8),b = 22.266(2),c = 31.426(3) ?,V = 5931(2) ?3,Z = 8,Mr = 1819.11,Dc = 4.075 g/cm3,μ = 13.684 mm-1,F(000) = 6320,S = 1.034,(Δρ)max = 5.039,(Δρ)min = –5.409 e/?3,the final R = 0.0362 and w R = 0.1053 for 19243 observed reflections with I > 2σ(I). The structure is constructed by discrete [BS3]3– trigonal planes and isolated [GaS4]5– tetrahedra with Ba2+ and isolated S2– filled among them. The UV-Vis-near-IR spectrum reveals a wide band gap of 3.15 eV that agrees with the electronic structure calculation.

【基金】 Supported by the National Natural Science Foundation of China(21233009,21225104,91422303,21301175 and 21171168)
【所属期刊栏目】 organic and inorganic structural chemistry (2016年12期)
  • 【DOI】10.14102/j.cnki.0254-5861.2011-1236
  • 【分类号】O611
  • 【被引频次】1
  • 【下载频次】24
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