Citation: WANG Jin-Qiu, LIU Peng-Fei, LI Yan-Yan, WU Li-Ming. Synthesis, Crystal Structure, and Optical Property of Zero-dimensional Quaternary Thioborate: Ba9B3GaS15[J]. Chinese Journal of Structural Chemistry, ;2016, 35(12): 1860-1867. doi: 10.14102/j.cnki.0254-5861.2011-1236 shu

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

  • Corresponding author: LI Yan-Yan, liyanyan1120@fjirsm.ac.cn
  • Received Date: 8 April 2016

    Fund Project: National Natural Science Foundation of China 21233009, 21225104, 91422303, 21301175 and 21171168

Figures(6)

  • 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)Å, V=5931(2)Å3, 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/Å3, the final R=0.0362 and wR=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.
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