摘要
The chiral sulfide Y4InSbS9 has been prepared from stoichiometric elements at 1223 K in an evacuated silica tube. It crystallizes in the chiral tetragonal space group P43212 with a = 9.8784（3）, c = 27.3106（16） A, V = 2665.04（19） A^3, Z = 8, Mr = 880.75, Dc = 4.390 g/cm^3, μ = 22.285 mm^–1, F（000） = 3200, the final R = 0.0302 and wR = 0.0669 for 2961 observed reflections with I 〉 2σ（I）. The structure features infinite helical chains of [In2Sb2S（11）^10–]∞ propagating along the c direction and they are separated by isolated Y^3＋ cations and S2– anions. UV/Vis diffuse reflectance spectroscopy study shows that its optical gap is around 1.94 eV. Density functional theory（DFT） study indicates an indirect band gap with an electronic transfer excitation of S 3p to Y 5d orbital electrons.
The chiral sulfide Y4InSbS9 has been prepared from stoichiometric elements at 1223 K in an evacuated silica tube. It crystallizes in the chiral tetragonal space group P43212 with a = 9.8784（3）, c = 27.3106（16） A, V = 2665.04（19） A^3, Z = 8, Mr = 880.75, Dc = 4.390 g/cm^3, μ = 22.285 mm^–1, F（000） = 3200, the final R = 0.0302 and wR = 0.0669 for 2961 observed reflections with I 〉 2σ（I）. The structure features infinite helical chains of [In2Sb2S（11）^10–]∞ propagating along the c direction and they are separated by isolated Y^3＋ cations and S2– anions. UV/Vis diffuse reflectance spectroscopy study shows that its optical gap is around 1.94 eV. Density functional theory（DFT） study indicates an indirect band gap with an electronic transfer excitation of S 3p to Y 5d orbital electrons.
基金
Supported by the National Natural Science Foundation of China(Nos.21201185 and 21661037)
the Natural Science Foundation of Chongqing(Nos.cstc2013jcyjA50033 and cstc2015jcyjA0317)
the Natural Science Foundation of Guizhou Province(Nos.JLKZS[2014]13 and[2014]42)
the Project Foundation of Chongqing University of Education(No.16xjpt08)
the Natural Science Foundation of State Key Laboratory of Structural Chemistry(No.20140004)
