Investigation of the Crystal Structure of Nd 5 Mo 3 O 16 + δ  in the Pressure Range 0–5.9 GPа

K. А. Chebyshev; Чебышев К. А.; V. А. Turchenko; Турченко В. А.; S. Е. Kichanov; Кичанов С. Е.

doi:10.31857/S1028096023040039

Investigation of the Crystal Structure of Nd₅Mo₃O_{16 + δ} in the Pressure Range 0–5.9 GPа

Authors: Chebyshev K.А.¹, Turchenko V.А.², Kichanov S.Е.²
Affiliations:
1. Donetsk National University
2. Joint Institute for Nuclear Research
Issue: No 4 (2023)
Pages: 83-89
Section: Articles
URL: https://rjsvd.com/1028-0960/article/view/664583
DOI: https://doi.org/10.31857/S1028096023040039
EDN: https://elibrary.ru/JXNHLA
ID: 664583

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Abstract

Neodymium molybdate with a cubic fluorite-like structure was obtained by solid state reactions from metal oxides. The formation of the final product occurs through the formation of a monoclinic structure of Ln₂MoO₆ type (space group C2/c) at 700°C, which probably contains vacancies in neodymium and oxygen lattices. Neodymium molybdate obtained at 900°C crystallizes in the space group Pn $\bar{3}$ n with the cell parameter a ≈ 11.039 Å. The crystal structure of neodymium molybdate obtained at 700 and 900°C was studied by neutron diffraction and atomistic modeling using the GULP program in the pressure range 0–5.9 GPa, which demonstrated the stability of the cubic structure at elevated pressure.

Keywords

neodymium molybdate, fluorite structure, solid state reactions, neutron diffraction, Rietveld method, atomistic modeling, GULP.

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