A new lead zinc borate, Pb4Zn2B10O21, has been synthesized and the crystal structure was determined by single crystal X-ray diffraction. It crystallizes in the orthorhombic group Pbcn with a = 14.6062(15) angstrom, b = 17.4899(16) angstrom, c = 13.2962(15) angstrom, Z = 8. Interestingly, in the crystal structure, a new B-O building unit [B10O24] group is observed and the four different coordinated Pb atoms are connected with each other by sharing a corner, edge or face to form an interesting regular [Pb4O12](infinity) chain. The DSC analysis proves that Pb4Zn2B10O21 melts congruently. First-principles electronic structure calculation shows that the calculated band gap of Pb4Zn2B10O21 is 3.53 eV, which is in good agreement with the experimental value measured from the UV-vis-NIR absorption spectrum, and the observed absorption peak is assigned as a charge transfer from O 2p states to Pb 6p states.
Chinese Acad Sci, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China;Xinjiang Key Lab Elect Informat Mat & Devices, Urumqi 830011, Peoples R China;Chinese Acad Sci, Xinjiang Tech Inst Phys & Chem, Urumqi 830011, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China
YuHongwei,WuHongping,PanShilie,et al. Pb4Zn2B10O21: a congruently melting lead zinc borate with a novel [B10O24] anionic group and an interesting [Pb4O12](infinity) chain[J]. NEW JOURNAL OF CHEMISTRY,2014,38(1):285-291.