Synthesis, Crystal Structure and Property of Cu Pb2(OH)2Cl3

A new copper(I)-lead(II) oxyhalide, Cu Pb2(OH)2Cl3, has been prepared by hydrothermal reaction and structurally characterized by single-crystal X-ray analysis. The compound crystallizes in tetragonal, space group I4(1)/acd with a = b = 13.77(1), c = 15.38(1) , V = 2916.2(2), Z = 4, Mr = 618.29, Dc = 5.633 g/cm3, μ = 49.97(2) mm-1, F(000) = 4192, the final R = 0.0204 and w R = 0.0452 for 757 observed reflections with I > 2σ(I). The structure of Cu Pb2(OH)2Cl3 contains one-dimensional helical chains built by Cu Cl4 tetrahedra with corner-sharing along the c-axis, in which the Pb2+ and OH- ions are located at the voids between chains. Optical reflectance spectrum measurements indicate that it is a semiconductor with a band-gap of 3.23 e V.