Interesting cationic (Li+/Fe3+/Te6+) variations in new rocksalt ordered structures

Akanksha Gupta, Vinod Kumar, S. Uma

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16 Scopus citations


A new series of layered oxides, Li3(Li1.5xFe3-(x+1.5x)Tex)O6, (0.1 ≤x ≤ 1.0) possessing rocksalt superstructures crystallizing in monoclinic (S.G. C2/m) symmetry is reported here. Investigations based on single crystal and powder X-ray diffraction studies for the x= 1 member, Li3(Li1.5Fe0.5Te)O6, (a= 5.1834(1); b= 8.8858(2); c= 5.16840(8) Å; β= 110.660(1)°) confirmed the stabilization of (Li1.5Fe0.5Te1.0 O6)3- honeycomb arrays with a very high amount of lithium ions. The structure for the x= 0.5 member (Li3.75Fe1.75Te0.5O6) has also been confirmed by the powder X-ray diffraction Rietveld refinements. Li3(Li1.5Fe0.5Te)O6 and Li3(Li0.75Fe1.75Te0.5)O6 oxides exhibited Curie-Weiss behaviour in the temperature range of 50-300 K with negative θ values. Their respective ionic conductivities were found to be 6.76×10-5 S cm-1 and 2.21 × 10-6 S cm-1 at 573 K. The UV-visible diffuse reflectance measurements for the different members of the series Li3(Li1.5xFe3-(x+1.5x)Tex)O6, 0.1 ≤ x ≤ 1.0) show the expected shifts in their absorption edges based on the increasing amount of Fe3+ ions starting from x= 1.0 member to x= 0.1 member.

Original languageEnglish
Pages (from-to)225-233
Number of pages9
JournalJournal of Chemical Sciences
Issue number2
StatePublished - 1 Feb 2015
Externally publishedYes

Bibliographical note

Publisher Copyright:
© 2015 Indian Academy of Sciences.


  • Lithium-based oxides
  • UV-visible diffuse reflectance
  • honeycomb ordering
  • rocksalt superstructures
  • single crystal XRD


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