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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr3ZnCoO6 by Materials Project

Sr3CoZnO6 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight equivalent O2- atoms. There are a spread of Sr–O bond distances ranging from 2.54–2.71 Å. Co4+ is bonded in an octahedral geometry to six equivalent O2- atoms. All Co–O bond lengths are 1.94 Å. Zn2+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. All Zn–O bond lengths are 2.20 Å. O2- is bonded to four equivalent Sr2+, one Co4+, and one Zn2+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4ZnCo octahedra. The corner-sharing octahedra tilt angles range from 0–62°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr3ZnCoO6 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↗
DOE OSTI2020

Materials Data on Sr3ZnCoO6 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↗