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

We report on a novel compound Li{sub 3}AsW{sub 7}O{sub 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{sub 6} octahedra interconnected by AsO{sub 4} tetrahedra and WO{sub 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{sub 3}AsW{sub 7}O{sub 25} is stable up to its melting at 1135(3) K followed by a decomposition at 1182(5) K. 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. - Graphical abstract: Crystal structure of Li{sub 3}AsW{sub 7}O{sub 25} showing different schematic components. - Highlights: • A report on a novel compound Li{sub 3}AsW{sub 7}O{sub 25} obtained by solid-state reaction. • Chains and nano-blocks of WO{sub 6} octahedra and AsO{sub 4} tetrahedra formed a structure like intergrowth tungsten bronzes. • X-ray diffraction allowed solving the complex arsenotungstate framework.more » • Powder neutron diffraction data analysis locates the lithium atoms. • UV–vis spectrum revealed the band-gap.« less
Authors:
 [1] ;  [1] ;  [2] ; ;  [3] ;  [4] ;  [1]
  1. Chemische Kristallographie fester Stoffe, Universität Bremen, Leobener Straße, D-28359 Bremen (Germany)
  2. Chemical and Engineering Materials Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831 (United States)
  3. Foundation Institute of Materials Science (IWT), Department of Production Engineering, University of Bremen, Badgasteiner Strasse 3, D-28359 Bremen (Germany)
  4. Institute of Energy and Climate Research (IEK-6), Forschungszentrum Jülich, D-52428 Jülich, and Institut für Kristallographie, RWTH Aachen, Jägerstraße 17-19, D-52066 Aachen (Germany)
Publication Date:
OSTI Identifier:
22475639
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Solid State Chemistry; Journal Volume: 226; Other Information: Copyright (c) 2015 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved.; Country of input: International Atomic Energy Agency (IAEA)
Country of Publication:
United States
Language:
English
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; ABSORPTION SPECTROSCOPY; ARSENATES; ARSENIC COMPOUNDS; DATA ANALYSIS; DECOMPOSITION; ELECTRONS; ENERGY GAP; LITHIUM TUNGSTATES; MELTING; MONOCRYSTALS; NANOSTRUCTURES; NEUTRON DIFFRACTION; ORTHORHOMBIC LATTICES; POWDERS; THERMAL ANALYSIS; TUNGSTEN BRONZE; X-RAY DIFFRACTION