SEARCH · Engineering Papers
Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.
Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.
FeV3 crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V and four equivalent Fe atoms. Both V–V bond lengths are 2.32 Å. All V–Fe bond lengths are 2.60 Å. Fe is bonded to twelve equivalent V atoms to form a mixture of face and edge-sharing FeV12 cuboctahedra.
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
FeV3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a distorted body-centered cubic geometry to four equivalent V and four equivalent Fe atoms. All V–V bond lengths are 2.53 Å. All V–Fe bond lengths are 2.53 Å. In the second V site, V is bonded in a 8-coordinate geometry to eight equivalent V and six equivalent Fe atoms. All V–Fe bond lengths are 2.92 Å. Fe is bonded in a distorted body-centered cubic geometry to fourteen V atoms.