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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on VFeSb by Materials Project

FeVSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Fe and four equivalent Sb atoms. All V–Fe bond lengths are 2.63 Å. All V–Sb bond lengths are 2.63 Å. Fe is bonded in a 4-coordinate geometry to four equivalent V and six equivalent Sb atoms. All Fe–Sb bond lengths are 3.04 Å. Sb is bonded to four equivalent V and six equivalent Fe atoms to form a mixture of distorted face and corner-sharing SbV4Fe6 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VFeSb by Materials Project

FeVSb is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. V is bonded in a 10-coordinate geometry to four equivalent Fe and six equivalent Sb atoms. All V–Fe bond lengths are 2.51 Å. All V–Sb bond lengths are 2.89 Å. Fe is bonded in a body-centered cubic geometry to four equivalent V and four equivalent Sb atoms. All Fe–Sb bond lengths are 2.51 Å. Sb is bonded in a 10-coordinate geometry to six equivalent V and four equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VFeSb by Materials Project

FeVSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded in a 12-coordinate geometry to two equivalent V, six equivalent Fe, and six equivalent Sb atoms. Both V–V bond lengths are 2.65 Å. All V–Fe bond lengths are 2.86 Å. All V–Sb bond lengths are 2.86 Å. Fe is bonded in a 5-coordinate geometry to six equivalent V and five equivalent Sb atoms. There are three shorter (2.53 Å) and two longer (2.65 Å) Fe–Sb bond lengths. Sb is bonded in a 11-coordinate geometry to six equivalent V and five equivalent Fe atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on VFeSb by Materials Project

FeVSb crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to six equivalent Fe and five equivalent Sb atoms to form distorted VFe6Sb5 trigonal bipyramids that share corners with eight equivalent VFe6Sb5 trigonal bipyramids, corners with twelve equivalent SbV5Fe6 trigonal bipyramids, edges with three equivalent SbV5Fe6 trigonal bipyramids, faces with five equivalent SbV5Fe6 trigonal bipyramids, and faces with twelve equivalent VFe6Sb5 trigonal bipyramids. All V–Fe bond lengths are 2.95 Å. There are three shorter (2.63 Å) and two longer (2.69 Å) V–Sb bond lengths. Fe is bonded in a 12-coordinate geometry to six equivalent V, two equivalent Fe, and six equivalent Sb atoms. Both Fe–Fe bond lengths are 2.69 Å. All Fe–Sb bond lengths are 2.95 Å. Sb is bonded to five equivalent V and six equivalent Fe atoms to form distorted SbV5Fe6 trigonal bipyramids that share corners with eight equivalent SbV5Fe6 trigonal bipyramids, corners with twelve equivalent VFe6Sb5 trigonal bipyramids, edges with three equivalent VFe6Sb5 trigonal bipyramids, faces with five equivalent VFe6Sb5 trigonal bipyramids, and faces with twelve equivalent SbV5Fe6 trigonal bipyramids.

36 MATERIALS SCIENCE↗