New orthorhombic sodium iron(+2) titanate

Igor L. Shukaev; Vera V. Butova; Sergey V. Chernenko; Andrey A. Pospelov; Victor V. Shapovalov; Alexander A. Guda; Abdelaziz M. Aboraia; Heba Y. Zahran; Ibrahim S. Yahia; Alexander V. Soldatov

doi:10.1016/j.ceramint.2019.10.167

New orthorhombic sodium iron(+2) titanate

Igor L. Shukaev
, Vera V. Butova
, Sergey V. Chernenko
, Andrey A. Pospelov
, Victor V. Shapovalov
, Alexander A. Guda
, Abdelaziz M. Aboraia
, Heba Y. Zahran
, Ibrahim S. Yahia
, Alexander V. Soldatov

Southern Federal University
Russian Academy of Sciences
Al-Azhar University
King Khalid University
Ain Shams University

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

The set of compositions with Fe²⁺ in the system Na_xFe_x/2Ti_2–x/2O₄ has been prepared by solid-state reactions in the inert atmosphere at 1050 °С. The oxidation state of iron was confirmed using the XANES method. Na_0.88Fe_0.44Ti_1.56O₄ is the new four-element compound in Na₂O–“FeO”–TiO₂ system. According to the X-ray powder data, it is orthorhombic, Pnma, a = 9.3624(1), b = 2.96718(4), c = 11.3435(1) Å and has the same structure as Na_0.9Fe_0.9Ti_1.1O₄ with Fe³⁺. The structure was refined by the Rietveld method. The 3D-framework of (Fe, Ti)O₆ octahedra contains quadruple rutile-like chains and sodium ions in double tunnels. Fe/Ti partial ordering in the framework and sodium distribution in the tunnels were studied additionally using the method of bond valence sums and Voronoi tessellation. The structure and composition of Na_0.88Fe_0.44Ti_1.56O₄ make it a promising material for cathode application.

Original language	English
Pages (from-to)	4416-4422
Number of pages	7
Journal	Ceramics International
Volume	46
Issue number	4
DOIs	https://doi.org/10.1016/j.ceramint.2019.10.167
State	Published - Mar 2020
Externally published	Yes

Keywords

Cathode
Na-batteries
Non-stoichiometric sodium iron
Rietveld method
Titanates
Voronoi tessellation
XANES

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10.1016/j.ceramint.2019.10.167

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@article{aafdec69b17540ce9316be2744216ac3,

title = "New orthorhombic sodium iron(+2) titanate",

abstract = "The set of compositions with Fe2+ in the system NaxFex/2Ti2–x/2O4 has been prepared by solid-state reactions in the inert atmosphere at 1050 °С. The oxidation state of iron was confirmed using the XANES method. Na0.88Fe0.44Ti1.56O4 is the new four-element compound in Na2O–“FeO”–TiO2 system. According to the X-ray powder data, it is orthorhombic, Pnma, a = 9.3624(1), b = 2.96718(4), c = 11.3435(1) {\AA} and has the same structure as Na0.9Fe0.9Ti1.1O4 with Fe3+. The structure was refined by the Rietveld method. The 3D-framework of (Fe, Ti)O6 octahedra contains quadruple rutile-like chains and sodium ions in double tunnels. Fe/Ti partial ordering in the framework and sodium distribution in the tunnels were studied additionally using the method of bond valence sums and Voronoi tessellation. The structure and composition of Na0.88Fe0.44Ti1.56O4 make it a promising material for cathode application.",

keywords = "Cathode, Na-batteries, Non-stoichiometric sodium iron, Rietveld method, Titanates, Voronoi tessellation, XANES",

author = "Shukaev, \{Igor L.\} and Butova, \{Vera V.\} and Chernenko, \{Sergey V.\} and Pospelov, \{Andrey A.\} and Shapovalov, \{Victor V.\} and Guda, \{Alexander A.\} and Aboraia, \{Abdelaziz M.\} and Zahran, \{Heba Y.\} and Yahia, \{Ibrahim S.\} and Soldatov, \{Alexander V.\}",

note = "Publisher Copyright: {\textcopyright} 2019 Elsevier Ltd and Techna Group S.r.l.",

year = "2020",

month = mar,

doi = "10.1016/j.ceramint.2019.10.167",

language = "English",

volume = "46",

pages = "4416--4422",

journal = "Ceramics International",

issn = "0272-8842",

publisher = "Elsevier Ltd",

number = "4",

}

TY - JOUR

T1 - New orthorhombic sodium iron(+2) titanate

AU - Shukaev, Igor L.

AU - Butova, Vera V.

AU - Chernenko, Sergey V.

AU - Pospelov, Andrey A.

AU - Shapovalov, Victor V.

AU - Guda, Alexander A.

AU - Aboraia, Abdelaziz M.

AU - Zahran, Heba Y.

AU - Yahia, Ibrahim S.

AU - Soldatov, Alexander V.

PY - 2020/3

Y1 - 2020/3

N2 - The set of compositions with Fe2+ in the system NaxFex/2Ti2–x/2O4 has been prepared by solid-state reactions in the inert atmosphere at 1050 °С. The oxidation state of iron was confirmed using the XANES method. Na0.88Fe0.44Ti1.56O4 is the new four-element compound in Na2O–“FeO”–TiO2 system. According to the X-ray powder data, it is orthorhombic, Pnma, a = 9.3624(1), b = 2.96718(4), c = 11.3435(1) Å and has the same structure as Na0.9Fe0.9Ti1.1O4 with Fe3+. The structure was refined by the Rietveld method. The 3D-framework of (Fe, Ti)O6 octahedra contains quadruple rutile-like chains and sodium ions in double tunnels. Fe/Ti partial ordering in the framework and sodium distribution in the tunnels were studied additionally using the method of bond valence sums and Voronoi tessellation. The structure and composition of Na0.88Fe0.44Ti1.56O4 make it a promising material for cathode application.

AB - The set of compositions with Fe2+ in the system NaxFex/2Ti2–x/2O4 has been prepared by solid-state reactions in the inert atmosphere at 1050 °С. The oxidation state of iron was confirmed using the XANES method. Na0.88Fe0.44Ti1.56O4 is the new four-element compound in Na2O–“FeO”–TiO2 system. According to the X-ray powder data, it is orthorhombic, Pnma, a = 9.3624(1), b = 2.96718(4), c = 11.3435(1) Å and has the same structure as Na0.9Fe0.9Ti1.1O4 with Fe3+. The structure was refined by the Rietveld method. The 3D-framework of (Fe, Ti)O6 octahedra contains quadruple rutile-like chains and sodium ions in double tunnels. Fe/Ti partial ordering in the framework and sodium distribution in the tunnels were studied additionally using the method of bond valence sums and Voronoi tessellation. The structure and composition of Na0.88Fe0.44Ti1.56O4 make it a promising material for cathode application.

KW - Cathode

KW - Na-batteries

KW - Non-stoichiometric sodium iron

KW - Rietveld method

KW - Titanates

KW - Voronoi tessellation

KW - XANES

UR - https://www.scopus.com/pages/publications/85074481056

U2 - 10.1016/j.ceramint.2019.10.167

DO - 10.1016/j.ceramint.2019.10.167

M3 - Article

AN - SCOPUS:85074481056

SN - 0272-8842

VL - 46

SP - 4416

EP - 4422

JO - Ceramics International

JF - Ceramics International

IS - 4

ER -

New orthorhombic sodium iron(+2) titanate

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Keywords

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