Ab initio structure determination and morphology study of La1.26 Zr0.25 Na2.5 N0.24 O2.54 triclinic structure from powder x-ray diffraction data.

Bimal K Kanth; Parashuram Mishra

doi:10.30574/wjarr.2020.8.2.0259

eISSN: 2581-9615 || CODEN: WJARAI || Impact Factor 8.2 || CrossRef DOI

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Ab initio structure determination and morphology study of La1.26 Zr0.25 Na2.5 N0.24 O2.54 triclinic structure from powder x-ray diffraction data.

Bimal K Kanth and Parashuram Mishra^*

Bioinorganic and Materials Chemistry Research Lab. Tribhuvan University, M.M.A.M. Campus, Biratnagar, Nepal.

This article has been retracted at the request of Editors.

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Research Article

World Journal of Advanced Research and Reviews, 2020, 08(02), 131-140

Article DOI: 10.30574/wjarr.2020.8.2.0259

DOI url: https://doi.org/10.30574/wjarr.2020.8.2.0259

Publication history

Received on 13 July 2020; revised on 19 August 2020; accepted on 21 August 2020

Abstract

This paper deals with the ab initio structure determination of La_1.26 N_0.24 Na_2.5 O_2.54 Zr_0.25 triclinic structure having triclinic crystal system via powder X-ray data using the Rietveld refinement method, and with physical properties characterization of a related solid solution at the room temperature structure of three compounds belonging to the Aurivillius family La_1.26 N_0.24 Na_2.5 O_2.54 Zr_0.25 has been analyzed. La_1.26 N_0.24 Na_2.5 O_2.54 Zr_0.25 crystallizes in a triclinic crystal system with P-1 space group. The starting material was Na₂CO₃,Zr(NO3)₄ La2O₃ for the Zr,La and Na analogues was derived from ab initio methods and refined using the Rietveld refinement method using JANA software package and visualization by Diamond computer program. The cations Na and La are disordered over the Zr sites while the La cation is found exclusively in the layers. The cell parameters are a=4.1040 Å b=9.9102 Å c=17.6117 Å α=98.4299° β=93.4378° γ=92.2041°.The morphology and electrical properties are carried out of cited oxide.

Keywords

Aurivillius; Rietveld; Ab initio; Triclinic; Structure; Investigation

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Bimal K Kanth and Parashuram Mishra. Ab initio structure determination and morphology study of La1.26 Zr0.25 Na2.5 N0.24 O2.54 triclinic structure from powder x-ray diffraction data.. World Journal of Advanced Research and Reviews, 2020, 8(2), 131-140. Article DOI: https://doi.org/10.30574/wjarr.2020.8.2.0259

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Ab initio structure determination and morphology study of La1.26 Zr0.25 Na2.5 N0.24 O2.54 triclinic structure from powder x-ray diffraction data.

Bimal K Kanth and Parashuram Mishra^*

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Ab initio structure determination and morphology study of La1.26 Zr0.25 Na2.5 N0.24 O2.54 triclinic structure from powder x-ray diffraction data.

Bimal K Kanth and Parashuram Mishra*

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Bimal K Kanth and Parashuram Mishra^*