Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1040, Issue -, Pages 180-183Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.molstruc.2013.03.007
Keywords
LiPb2B5O10; Borate; Synthesis; Crystal structure
Categories
Funding
- 973 Program of China [2012CB626803]
- National Natural Science Foundation of China [U1129301, 51172277, 21101168, 11104344]
- Main Direction Program of Knowledge Innovation of CAS [KJCX2-EW-H03-03]
- One Hundred Talents Project Foundation Program of CAS
- Funds for Creative Cross & Cooperation Teams of CAS
- Major Program of Xinjiang Uygur Autonomous Region of China during the 12th Five-Year Plan Period [201130111]
- High Technology Research & Development Program of Xinjiang Uygur Autonomous Region of China [201116143]
- Science and Technology Project of Urumqi [G121130002]
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A novel lithium dilead pentaborate 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. (C) 2013 Elsevier B.V. All rights reserved.
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