Materials Data on V6GaGe by Materials Project

Abstract

V6GaGe crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. V is bonded in a 6-coordinate geometry to two equivalent V, two equivalent Ga, and two equivalent Ge atoms. There are one shorter (2.38 Å) and one longer (2.39 Å) V–V bond lengths. Both V–Ga bond lengths are 2.67 Å. Both V–Ge bond lengths are 2.67 Å. Ga is bonded to twelve equivalent V atoms to form GaV12 cuboctahedra that share edges with six equivalent GaV12 cuboctahedra and faces with eight equivalent GeV12 cuboctahedra. Ge is bonded to twelve equivalent V atoms to form GeV12 cuboctahedra that share edges with six equivalent GeV12 cuboctahedra and faces with eight equivalent GaV12 cuboctahedra.