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

Abstract

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.

Authors:
 [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:
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)
OSTI Identifier:
1261434
Alternate Identifier(s):
OSTI ID: 1246453
Grant/Contract Number:  
AC05-00OR22725; GE1981/3-1; GE1981/3-2; MA3333/6-1
Resource Type:
Accepted Manuscript
Journal Name:
Journal of Solid State Chemistry
Additional Journal Information:
Journal Volume: 226; Journal Issue: C; Journal ID: ISSN 0022-4596
Publisher:
Elsevier
Country of Publication:
United States
Language:
English
Subject:
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

Citation Formats

Zhao, Pei, Mangir Murshed, M., Huq, Ashfia, Grossmann, Henrike K., Mädler, Lutz, Alekseev, Evgeny V., and Gesing, Thorsten M. Nanoscale building blocks in a novel lithium arsenotungsten bronze: Synthesis and characterization. United States: N. p., 2015. Web. doi:10.1016/j.jssc.2015.02.009.
Zhao, Pei, Mangir Murshed, M., Huq, Ashfia, Grossmann, Henrike K., Mädler, Lutz, Alekseev, Evgeny V., & Gesing, Thorsten M. Nanoscale building blocks in a novel lithium arsenotungsten bronze: Synthesis and characterization. United States. doi:10.1016/j.jssc.2015.02.009.
Zhao, Pei, Mangir Murshed, M., Huq, Ashfia, Grossmann, Henrike K., Mädler, Lutz, Alekseev, Evgeny V., and Gesing, Thorsten M. Thu . "Nanoscale building blocks in a novel lithium arsenotungsten bronze: Synthesis and characterization". United States. doi:10.1016/j.jssc.2015.02.009. https://www.osti.gov/servlets/purl/1261434.
@article{osti_1261434,
title = {Nanoscale building blocks in a novel lithium arsenotungsten bronze: Synthesis and characterization},
author = {Zhao, Pei and Mangir Murshed, M. and Huq, Ashfia and Grossmann, Henrike K. and Mädler, Lutz and Alekseev, Evgeny V. and Gesing, Thorsten M.},
abstractNote = {Here we report on a novel compound Li3AsW7O25 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 WO6 octahedra interconnected by AsO4 tetrahedra and WO6 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 Li3AsW7O25 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.},
doi = {10.1016/j.jssc.2015.02.009},
journal = {Journal of Solid State Chemistry},
number = C,
volume = 226,
place = {United States},
year = {2015},
month = {2}
}

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Works referencing / citing this record:

CSD 1063716: Experimental Crystal Structure Determination: Non-CSD Structure
dataset, May 2015


CSD 1063717: Experimental Crystal Structure Determination: Non-CSD Structure
dataset, May 2015