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

Zhao, Pei; Mangir Murshed, M.; Huq, Ashfia; Grossmann, Henrike K.; Mädler, Lutz; Alekseev, Evgeny V.; Gesing, Thorsten M.

doi:10.1016/j.jssc.2015.02.009

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

Abstract

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.

Authors:

Zhao, Pei ^[1]; Mangir Murshed, M. ^[1]; Huq, Ashfia ^[2]; Grossmann, Henrike K. ^[3]; Mädler, Lutz ^[3]; Alekseev, Evgeny V. ^[4]; Gesing, Thorsten M. ^[1]

Univ. Bremen, Bremen (Germany)
Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Chemical and Engineering Materials Division
Univ. Bremen, Bremen (Germany). Foundation Institute of Materials Science (IWT)
Forschungszentrum Julich (Germany). Inst. of Crystallography

Publication Date:: Thu Feb 19 00:00:00 EST 2015

Research Org.:: Oak Ridge National Laboratory (ORNL), Oak Ridge, TN (United States)

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES); 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.

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                    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.  https://doi.org/10.1016/j.jssc.2015.02.009

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                    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.  https://doi.org/10.1016/j.jssc.2015.02.009.  https://www.osti.gov/servlets/purl/1261434.

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@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         = {Thu Feb 19 00:00:00 EST 2015},

  month        = {Thu Feb 19 00:00:00 EST 2015}

}

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Synthesis, Structure, and Characterization of a New Second-Harmonic-Generating Tellurite: Na ₂ TeW ₂ O ₉
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Works referencing / citing this record:

Thermal Expansion Behaviors of Li ₃ AsW ₇ O ₂₅ : A Case Study for Comparative Debye Temperature for a Large Polyatomic Unit Cell : Thermal Expansion Behaviors of Li
journal, February 2018

Mangir Murshed, M.; Zhao, Pei; Huq, Ashfia
Zeitschrift für anorganische und allgemeine Chemie, Vol. 644, Issue 4
DOI: 10.1002/zaac.201700330

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

Abstract

Citation Formats

Tungsten Oxides, Tungsten Bronzes and Tungsten Bronze-Type Structures journal, January 1992

Noncentrosymmetric Oxides journal, October 1998

The tungsten bronzes and related compounds journal, January 1968

Neutron diffraction studies of cubic tungsten bronzes journal, February 1976

Investigation of the Rb–W–O system in connexion with the superconducting properties of the hexagonal tungsten bronzes journal, April 2003

Crystal structure and superconductivity of rubidium tungsten bronzes RbxWO3 prepared by a hybrid microwave method journal, April 2008

Structural instabilities and superconductivity in the alkali tungsten bronzes journal, January 1978

Synthesis and characterization of niobium-doped potassium tetragonal tungsten bronzes, KxNbyW1−yO3 journal, January 2009

Synthesis and characterization of niobium doped hexagonal tungsten bronze in the systems, CsxNbyW1−yO3 journal, December 2010

K[AsW2O9], the first member of the arsenate–tungsten bronze family: Synthesis, structure, spectroscopic and non-linear optical properties journal, August 2013

Synthesis, structure and properties of Na[AsW 2 O 9 ] journal, December 2014

Synthesis, Structure, and Characterization of a New Second-Harmonic-Generating Tellurite: Na 2 TeW 2 O 9 journal, July 2002

New nonlinear-optical crystal: LiB_3O_5 journal, January 1989

Effects of Dispersion and Focusing on the Production of Optical Harmonics journal, January 1962

EXPGUI , a graphical user interface for GSAS journal, April 2001

A New Series of Tungstoniobium Monophosphates with an Intersecting Tunnel Structure Closely Related to ReO3:ANb4WO9(PO4)3(A=K, Rb, Cs), KLiNb5O9(PO4)3, and KLi1−x(Nb, W)5O9(PO4)3 journal, March 1998

Band-gap energy estimation from diffuse reflectance measurements on sol–gel and commercial TiO2: a comparative study journal, September 2011

New Contributions to the Optics of Intensely Light-Scattering Materials Part I journal, January 1948

Wide bandgap semiconductor materials and devices journal, January 1996

Thermal Expansion Behaviors of Li 3 AsW 7 O 25 : A Case Study for Comparative Debye Temperature for a Large Polyatomic Unit Cell : Thermal Expansion Behaviors of Li journal, February 2018

Tungsten Oxides, Tungsten Bronzes and Tungsten Bronze-Type Structures
journal, January 1992

Noncentrosymmetric Oxides
journal, October 1998

The tungsten bronzes and related compounds
journal, January 1968

Neutron diffraction studies of cubic tungsten bronzes
journal, February 1976

Investigation of the Rb–W–O system in connexion with the superconducting properties of the hexagonal tungsten bronzes
journal, April 2003

Crystal structure and superconductivity of rubidium tungsten bronzes RbxWO3 prepared by a hybrid microwave method
journal, April 2008

Structural instabilities and superconductivity in the alkali tungsten bronzes
journal, January 1978

Synthesis and characterization of niobium-doped potassium tetragonal tungsten bronzes, KxNbyW1−yO3
journal, January 2009

Synthesis and characterization of niobium doped hexagonal tungsten bronze in the systems, CsxNbyW1−yO3
journal, December 2010

K[AsW2O9], the first member of the arsenate–tungsten bronze family: Synthesis, structure, spectroscopic and non-linear optical properties
journal, August 2013

Synthesis, structure and properties of Na[AsW 2 O 9 ]
journal, December 2014

Synthesis, Structure, and Characterization of a New Second-Harmonic-Generating Tellurite: Na ₂ TeW ₂ O ₉
journal, July 2002

New nonlinear-optical crystal: LiB_3O_5
journal, January 1989

Effects of Dispersion and Focusing on the Production of Optical Harmonics
journal, January 1962

EXPGUI , a graphical user interface for GSAS
journal, April 2001

A New Series of Tungstoniobium Monophosphates with an Intersecting Tunnel Structure Closely Related to ReO3:ANb4WO9(PO4)3(A=K, Rb, Cs), KLiNb5O9(PO4)3, and KLi1−x(Nb, W)5O9(PO4)3
journal, March 1998

Band-gap energy estimation from diffuse reflectance measurements on sol–gel and commercial TiO2: a comparative study
journal, September 2011

New Contributions to the Optics of Intensely Light-Scattering Materials Part I
journal, January 1948

Wide bandgap semiconductor materials and devices
journal, January 1996

Thermal Expansion Behaviors of Li ₃ AsW ₇ O ₂₅ : A Case Study for Comparative Debye Temperature for a Large Polyatomic Unit Cell : Thermal Expansion Behaviors of Li
journal, February 2018