A novel lithiumdileadpentaborate compound, LiPb2B5O10, is synthesized by the high temperature solution method for the first time. It crystallizes in the monoclinic space group P2(1)/m with lattice constants a = 4.4023(10) angstrom, b = 14.037(3) angstrom, c = 6.8846(16) angstrom, beta = 107.408(2)degrees and Z = 2. The structure consists of B5O (10) units, Liat and PbO7 polyhedra. The B5O10 unit is composed of three BO3 triangles and two Bat tetrahedra. The IR spectrum further confirms the presence of both BO3 and BO4 groups. The calculated band gap via ab initio methods is about 3.433 eV, which is consistent with the experimental result obtained from UV-vis-NIR diffuse reflectance spectrum.
Chinese Acad Sci, Xinjiang Key Lab Elect Informat Mat & Devices, Key Lab Funct Mat & Devices Special Environm, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Zhou Lin,Pan Shilie,Su Xin,et al. synthesis, crystal structure and optical properties of a new lithium dilead pentaborate, lipb2b5o10[J]. JOURNAL OF MOLECULAR STRUCTURE,2013,1040(5):180-183.