Materials Data on V3SiNi2 by Materials Project

Abstract

Ni2SiV3 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. V is bonded in a 2-coordinate geometry to eight equivalent V, four equivalent Ni, and two equivalent Si atoms. There are four shorter (2.77 Å) and four longer (2.97 Å) V–V bond lengths. There are two shorter (2.48 Å) and two longer (2.63 Å) V–Ni bond lengths. Both V–Si bond lengths are 2.66 Å. Ni is bonded in a 12-coordinate geometry to six equivalent V, three equivalent Ni, and three equivalent Si atoms. All Ni–Ni bond lengths are 2.60 Å. All Ni–Si bond lengths are 2.32 Å. Si is bonded to six equivalent V and six equivalent Ni atoms to form face-sharing SiV6Ni6 cuboctahedra.