Five New Chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8: Syntheses, Crystal Structures, and Optical Properties
收藏Figshare2016-02-18 更新2026-04-29 收录
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https://figshare.com/articles/dataset/Five_New_Chalcohalides_Ba_sub_3_sub_GaS_sub_4_sub_X_X_Cl_Br_Ba_sub_3_sub_MSe_sub_4_sub_Cl_M_Ga_In_and_Ba_sub_7_sub_In_sub_2_sub_Se_sub_6_sub_F_sub_8_sub_Syntheses_Crystal_Structures_and_Optical_Properties/2369572
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Five new chalcohalides, Ba3GaS4X (X = Cl, Br), Ba3MSe4Cl (M = Ga, In), and Ba7In2Se6F8, have been synthesized by conventional high-temperature solid-state method. These compounds crystallize in three different interesting structure types. Ba3GaQ4X (Q = S, X = Cl, Br; Q = Se, X = Cl) contain zigzag BaX pseudolayers and isolated GaQ4 tetrahedra, while Ba3InSe4Cl possesses one Ba–In–Se pseudolayer and one Ba–Cl pseudolayer, which are stacked alternately along the c-direction. Ba7In2Se6F8 is comprised of one-dimensional 1∞[InSe3]3– chains and unique [Ba7F8]6+ chains. In all those mixed anion compounds, the halide anions are only connected to alkaline-earth metal through strong ionic bonding, while the M (M = Ga, In) cations are only connected to chalcogenide anions through covalent bonding. UV–vis-NIR spectroscopy measurements indicate that Ba3GaQ4X (Q = S, X = Cl, Br; Q = Se, X = Cl) have band gaps of 2.14, 1.80, and 2.05 eV, respectively.
创建时间：
2016-02-18
