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

Akanksha Gupta; Vinod Kumar; S. Uma

doi:10.1007/s12039-015-0784-3

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

Akanksha Gupta, Vinod Kumar, S. Uma

University of Delhi

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

16 Scopus citations

Abstract

A new series of layered oxides, Li₃(Li_1.5xFe_3-(x+1.5x)Te_x)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(Li_1.5Fe_0.5Te)O₆, (a= 5.1834(1); b= 8.8858(2); c= 5.16840(8) Å; β= 110.660(1)°) confirmed the stabilization of (Li_1.5Fe_0.5Te_1.0 O₆)^3- honeycomb arrays with a very high amount of lithium ions. The structure for the x= 0.5 member (Li_3.75Fe_1.75Te_0.5O₆) has also been confirmed by the powder X-ray diffraction Rietveld refinements. Li₃(Li_1.5Fe_0.5Te)O₆ and Li₃(Li_0.75Fe_1.75Te_0.5)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(Li_1.5xFe_3-(x+1.5x)Te_x)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 language	English
Pages (from-to)	225-233
Number of pages	9
Journal	Journal of Chemical Sciences
Volume	127
Issue number	2
DOIs	https://doi.org/10.1007/s12039-015-0784-3
State	Published - 1 Feb 2015
Externally published	Yes

Bibliographical note

Publisher Copyright:
© 2015 Indian Academy of Sciences.

Funding

This work was supported by the DST (SR/S1/PC-07/2011), DST – Nanomission, Government of India and University of Delhi under the ‘Scheme to Strengthen R & D Doctoral Research Program’. We thank the USIC, Delhi University for the SXRD facilities. VK thanks CSIR and AG thanks DST, Government of India for fellowships.

Funders	Funder number
Department of Science and Technology, Ministry of Science and Technology, India	SR/S1/PC-07/2011
Council of Scientific and Industrial Research, India
University of Delhi

Keywords

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

Access to Document

10.1007/s12039-015-0784-3

Cite this

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title = "Interesting cationic (Li+/Fe3+/Te6+) variations in new rocksalt ordered structures",

abstract = "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) {\AA}; 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.",

keywords = "Lithium-based oxides, UV-visible diffuse reflectance, honeycomb ordering, rocksalt superstructures, single crystal XRD",

author = "Akanksha Gupta and Vinod Kumar and S. Uma",

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AU - Kumar, Vinod

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N2 - 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.

AB - 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.

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