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DOE OSTI2020

Materials Data on Na2MoO4 by Materials Project

Na2MoO4 is Spinel structured and crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent MoO4 tetrahedra and edges with six equivalent NaO6 octahedra. All Na–O bond lengths are 2.43 Å. Mo6+ is bonded to four equivalent O2- atoms to form MoO4 tetrahedra that share corners with twelve equivalent NaO6 octahedra. The corner-sharing octahedral tilt angles are 51°. All Mo–O bond lengths are 1.80 Å. O2- is bonded in a distorted rectangular see-saw-like geometry to three equivalent Na1+ and one Mo6+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Na2MoO4 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗