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The chiral sulfide Y_4InSbS_9 has been prepared from stoichiometric elements at 1223 K in an evacuated silica tube. It crystallizes in the chiral tetragonal space group P4_32_12 with a = 9.8784(3), c = 27.3106(16) ?, V = 2665.04(19) ?~3, Z = 8, M_r = 880.75, D_c = 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 [In_2Sb_2S_(11)~(10–)]_∞ propagating along the c direction and they are separated by isolated Y~(3+) cations and S_(2–) 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.
It crystallizes in the chiral tetragonal space group P4_32_12 with a = 9.8784 (3), c = 27.3106 (16) ?, V = 2665.04 (19). The chiral sulfide Y_4InSbS_9 has been prepared from stoichiometric elements at 1223 K in an evacuated silica tube ? = 3, Z = 8, M_r = 880.75, D_c = 4.390 g / cm_3, μ = 22.285 mm -1, F000 = 3200, the final R = 0.0302 and wR = 0.0669 for 2961 observed reflections with I> 2σ (I). The structure features of infinite helical chains of [In_2Sb_2S_ (11) ~ (10 -)] _∞ propagating along the c direction and they are separated by separated Y ~ (3+) cations and S_ 2- (2) 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 S3p to Y5d orbital electrons.