A new potassium lead pentaborate compound, KPbB5O9 has been synthesized by standard solid-state reaction for the first time. Its structure has been determined by single-crystal X-ray diffraction method. It crystallizes in the monoclinic space group P2(1)/c with lattice constants a = 6.717(3) angstrom, b = 8.389(3) angstrom, c = 13.686(5) angstrom, beta = 94.679(4)degrees and Z = 4. The structure consists of double ring B5O9 units, KO8 and PbO6 polyhedra. The PbO6 polyhedra linked together via corner-sharing O atom forming novel infinite (infinity)PbO6 chains along the b axis. Thermal analyses, IR spectroscopy and UV-vis-NIR diffuse reflectance spectrum, and band structure calculation were performed.
Xinjiang Tech Inst Phys & Chem, Key Lab Funct Mat & Devices Special Environm, CAS, Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100039, Peoples R China;Huazhong Univ Sci & Technol, Sch Opt & Elect Informat, Wuhan 430074, Peoples R China
Zhou Lin,Pan Shilie,Su Xin,et al. Synthesis, crystal structure, optical properties and theoretical calculations of a new potassium lead pentaborate, KPbB5O9[J]. JOURNAL OF MOLECULAR STRUCTURE,2013,1049(10):473-478.