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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on V2CrFe by Materials Project

V2CrFe is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. V is bonded in a body-centered cubic geometry to four equivalent Cr and four equivalent Fe atoms. All V–Cr bond lengths are 2.49 Å. All V–Fe bond lengths are 2.49 Å. Cr is bonded in a distorted body-centered cubic geometry to eight equivalent V and six equivalent Fe atoms. All Cr–Fe bond lengths are 2.87 Å. Fe is bonded in a distorted body-centered cubic geometry to eight equivalent V and six equivalent Cr atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on V2Cr2Fe by Materials Project

V2Cr2Fe crystallizes in the orthorhombic Fmm2 space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 8-coordinate geometry to six V and two equivalent Cr atoms. There are four shorter (2.51 Å) and two longer (2.63 Å) V–V bond lengths. Both V–Cr bond lengths are 2.54 Å. In the second V site, V is bonded in a 8-coordinate geometry to two equivalent V and two equivalent Fe atoms. Both V–Fe bond lengths are 2.51 Å. There are two inequivalent Cr sites. In the first Cr site, Cr is bonded in a 8-coordinate geometry to two equivalent Cr and two equivalent Fe atoms. Both Cr–Cr bond lengths are 2.45 Å. Both Cr–Fe bond lengths are 2.46 Å. In the second Cr site, Cr is bonded in a distorted body-centered cubic geometry to two equivalent V and six Cr atoms. All Cr–Cr bond lengths are 2.51 Å. Fe is bonded in a 8-coordinate geometry to two equivalent V and two equivalent Cr atoms.

36 MATERIALS SCIENCE↗