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

Autores: Chebyshev K.А.¹, Turchenko V.А.², Kichanov S.Е.²
Afiliações:
1. Donetsk National University
2. Joint Institute for Nuclear Research
Edição: Nº 4 (2023)
Páginas: 83-89
Seção: Articles
URL: https://freezetech.ru/1028-0960/article/view/664583
DOI: https://doi.org/10.31857/S1028096023040039
EDN: https://elibrary.ru/JXNHLA
ID: 664583

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Resumo

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.

Palavras-chave

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

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