On the Crystal Structure of Nd5Mo3O16 + δ in the Pressure Range 0–5.9 GPа

Neodymium molybdate with a cubic fluorite-like structure is obtained by solid state reactions from metal oxides. The formation of the final product occurs through the formation at 700°C of a monoclinic Ln 2 MoO 6 -type structure (space group C 2/ c ) probably containing vacancies in the neodymium an...

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Bibliographic Details
Published in:Surface investigation, x-ray, synchrotron and neutron techniques x-ray, synchrotron and neutron techniques, 2023-04, Vol.17 (2), p.478-483
Main Authors: Chebyshev, K. A., Turchenko, V. A., Kichanov, S. E.
Format: Article
Language:English
Subjects:
Chemistry and Materials Science
Crystal lattices
Crystal structure
Fluorite
Lattice vacancies
Materials Science
Metal oxides
Neodymium
Neutron diffraction
Structural stability
Surfaces and Interfaces
Thin Films
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Summary:Neodymium molybdate with a cubic fluorite-like structure is obtained by solid state reactions from metal oxides. The formation of the final product occurs through the formation at 700°C of a monoclinic Ln 2 MoO 6 -type structure (space group C 2/ c ) probably containing vacancies in the neodymium and oxygen lattices. Neodymium molybdate obtained at 900°C crystallizes in the space group Pn n with the cell parameter a ≈ 11.039 Å. The crystal structure of neodymium molybdate obtained at 700 and 900°C is studied by neutron diffraction and atomistic modeling using the GULP program in the pressure range 0–5.9 GPa, which demonstrates stability of the cubic structure at elevated pressures.
ISSN:1027-4510
1819-7094
DOI:10.1134/S1027451023020222