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Title: Nanoscale building blocks in a novel lithium arsenotungsten bronze: Synthesis and characterization

Here we report on a novel compound Li 3AsW 7O 25 obtained by solid-state reaction and characterized by diffraction and spectroscopic methods. The bronze-type compound crystallizes in the orthorhombic space group Pbca with a=724.38(3) pm, b=1008.15(4) pm, c=4906.16(17) pm and Z=8. The structure is built up by chains of WO 6 octahedra interconnected by AsO 4 tetrahedra and WO 6 octahedra forming a polyhedral arrangement as seen in intergrowth tungsten bronzes. The X-ray single crystal structure refinement allows solving the complex arsenotungstate framework. The powder neutron diffraction data analysis locates the lithium atoms. Thermal analysis showed that Li 3AsW 7O 25 is stable up to its melting at 1135(3) K followed by a decomposition at 1182(5) K. Finally, the Kubelka-Munk treatment of the UV-vis spectrum revealed a wide band gap in the range of 2.84-3.40 eV depending on the presumed electron transition type.
 [1] ;  [1] ;  [2] ;  [3] ;  [3] ;  [4] ;  [1]
  1. Univ. Bremen, Bremen (Germany)
  2. Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
  3. Univ. Bremen, Bremen (Germany). Foundation Institute of Materials Science (IWT)
  4. Forschungszentrum Julich (Germany). Inst. of Crystallography
Publication Date:
Grant/Contract Number:
AC05-00OR22725; GE1981/3-1; GE1981/3-2; MA3333/6-1
Accepted Manuscript
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 226; Journal Issue: C; Journal ID: ISSN 0022-4596
Research Org:
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); German Research Foundation (DFG)
Country of Publication:
United States
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; Inorganic compound; Crystal structure; X-ray and neutron diffraction; Vibrational spectroscopy; UV-vis spectroscopy; Thermal analysis
OSTI Identifier:
Alternate Identifier(s):
OSTI ID: 1246453