A new bromoborate Na3B6O10Br has been synthesized by the high temperature solution method. It crystallizes in orthorhombic space group Pnma (No. 53) with lattice constants a = 12.780(8) angstrom, b = 9.914(6) angstrom, c = 7.518(2) angstrom, Z = 4. The crystal structure contains an infinite three-dimensional matrix that is built from B6O13 units, Na(1)O4Br2, Na(2)O6Br, and Na(3)O-6 polyhedra. Interestingly, four B6O13 units are interconnected by oxygen atoms forming hexadecagon huge pores. IR spectrum, UV-Vis-NIR diffuse reflectance spectrum, and thermogravimetric analyses for the compound are also presented, as are band structures and density of states calculations. (C) 2013 Elsevier B. V. All rights reserved.
Chinese Acad Sci, Xinjiang Key Lab Elect Informat Mat & Devices, Xinjiang Tech Inst Phys & Chem, Key Lab Funct Mat & Devices Special Environm, Urumqi 830011, Peoples R China;Xinjiang Univ, Phys & Chem Testing Ctr, Urumqi 830046, Peoples R China;Univ Chinese Acad Sci, Beijing 100049, Peoples R China
Chen Zhaohui,Pan Shilie,Dong Xiaoyu,et al. Exploration of a new compound in the M-B-O-X (M: alkali metals; X: halogen) system: Preparation, crystal and electronic structures, and optical properties of Na3B6O10Br[J]. INORGANICA CHIMICA ACTA,2013,406(9):205-210.