A new intermetallic compound, SmCuT.vslns.27, has been synthesized by solid-state reaction of the corresponding pure elements at high temperature, and structurally characterized by single-crystal X-ray diffraction study. SmCu7.731n3.27 crystallizes in tetragonal space group P4/mbm with a = 8.6213（4）, c = 10.2538（9）, V= 762.13（8） A3, Z = 4, M,. = 1018.90, Dc= 8.880 g/cm3,μ = 38.244 mm-1, F（000） = 1789, and the final R = 0.0374 and wR = 0.0836 for 514 observed reflections with I 〉 2σ（I）. The structure of SmCu7.69In3.31 belongs to a new structure type and features a three-dimensional （3D） [Cusln2M4] （M = Cu/In） framework composed of [CusinnM4] clusters interconnected via sharing In atoms as well as Cu-ln and In-In bonds. The Sm atoms are located in the one-dimensional （1 D） tunnels along the c-axis. The structural relationship of the title compound with other similar Sm-Cu-In phases was also studied. Band structure calculations based on Density Functional Theory （DFT） method indicate that SmCuT.69In3.31 is metallic.
采用溶剂热方法合成了3个多元硫属化合物[Mn(1,2-dap)2(H2O)]2(μ-Sn2Q6)(Q=S(1)和Se(2))和[Mn(tren)]2(μ-Sn2S6)(3),用X-射线单晶衍射测定了化合物的结构,并通过红外光谱、紫外-可见漫反射光谱对其进行了表征。单晶结构解析表明,化合物1和2都属于正交晶系,Pccn空间群(No.56),晶体结构是由[Mn(1,2-dap)2(H2O)]2+配合物阳离子和[Sn2Q6]4-二聚体通过Mn-Q键连接而成的[Mn(1,2-dap)2(H2O)]2(μ-Sn2Q6)低聚体,相邻的低聚体之间通过氢键相连形成三维结构。化合物3属于三斜晶系,晶体结构是由[Mn(tren)]2(μ-Sn2S6)单元通过氢键连接而成的二维结构。紫外-可见漫反射光谱结果显示化合物1,2和3的带隙分别为2.5,2.1,2.4 e V,属于半导体材料。
