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DOE OSTI2020

Materials Data on CdCoO3 by Materials Project

CdCoO3 is Ilmenite structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Co4+ is bonded to six equivalent O2- atoms to form edge-sharing CoO6 octahedra. There is three shorter (1.88 Å) and three longer (1.89 Å) Co–O bond length. Cd2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.20 Å) and three longer (2.48 Å) Cd–O bond lengths. O2- is bonded in a 4-coordinate geometry to two equivalent Co4+ and two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CdCoO3 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↗