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The h‐SbxWO3+2x Oxygen Excess Antimony Tungsten Bronze


von Rohr, Fabian O; Ryser, Alice; Ji, Huiwen; Stolze, Karoline; Tao, Jing; Frick, Jessica J; Patzke, Greta R; Cava, Robert J (2019). The h‐SbxWO3+2x Oxygen Excess Antimony Tungsten Bronze. Chemistry - A European Journal, 25(8):2082-2088.

Abstract

We describe the previously unreported oxygen excess hexagonal antimony tungsten bronze with composition Sb0.5W3O10, in the following denoted as h‐SbxWO3+2x with x=0.167, to demonstrate its analogy to classical AxWO3 tungsten bronzes. This compound forms in a relatively narrow temperature range between 580 °C<T<620 °C. It was obtained as a dark‐blue polycrystalline powder, and as thin, needle‐shaped, blue single crystals. h‐SbxWO3+2x crystallizes in the hexagonal space group P6/mmm with the cell parameters a=7.4369(4) Å and c=3.7800(2) Å. The antimony and excess oxygen occupy the hexagonal channels within the network of corner‐sharing WO6 octahedra. h‐SbxWO3+2x has a resistivity of ρ300 K≈1.28 mΩ cm at room temperature, with little if any temperature‐dependence on cooling. DFT calculations on a simplified model for this compound find a metallic‐like electronic structure with the Fermi level falling within rather flat bands, especially around the Γ point.

Abstract

We describe the previously unreported oxygen excess hexagonal antimony tungsten bronze with composition Sb0.5W3O10, in the following denoted as h‐SbxWO3+2x with x=0.167, to demonstrate its analogy to classical AxWO3 tungsten bronzes. This compound forms in a relatively narrow temperature range between 580 °C<T<620 °C. It was obtained as a dark‐blue polycrystalline powder, and as thin, needle‐shaped, blue single crystals. h‐SbxWO3+2x crystallizes in the hexagonal space group P6/mmm with the cell parameters a=7.4369(4) Å and c=3.7800(2) Å. The antimony and excess oxygen occupy the hexagonal channels within the network of corner‐sharing WO6 octahedra. h‐SbxWO3+2x has a resistivity of ρ300 K≈1.28 mΩ cm at room temperature, with little if any temperature‐dependence on cooling. DFT calculations on a simplified model for this compound find a metallic‐like electronic structure with the Fermi level falling within rather flat bands, especially around the Γ point.

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Item Type:Journal Article, refereed, original work
Communities & Collections:07 Faculty of Science > Department of Chemistry
07 Faculty of Science > Physics Institute
Dewey Decimal Classification:540 Chemistry
Scopus Subject Areas:Physical Sciences > Catalysis
Physical Sciences > Organic Chemistry
Uncontrolled Keywords:General Chemistry
Language:English
Date:6 February 2019
Deposited On:15 Mar 2019 08:59
Last Modified:20 Feb 2021 08:16
Publisher:Wiley-VCH Verlag
ISSN:0947-6539
Additional Information:This is the peer reviewed version of the following article: von Rohr, Fabian O; Ryser, Alice; Ji, Huiwen; Stolze, Karoline; Tao, Jing; Frick, Jessica J; Patzke, Greta R; Cava, Robert J (2019). The h‐SbxWO3+2x Oxygen Excess Antimony Tungsten Bronze. Chemistry - A European Journal, 25(8):2082-2088., which has been published in final form at https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201805251. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving (http://olabout.wiley.com/WileyCDA/Section/id-820227.html#terms).
OA Status:Hybrid
Publisher DOI:https://doi.org/10.1002/chem.201805251
Project Information:
  • : FunderSNSF
  • : Grant IDPZ00P2_174015
  • : Project TitleChemistry and Physics of Nitride Based Materials

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