Materials Data on V2GaC by Materials Project

Abstract

V2GaC is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded in a 3-coordinate geometry to three equivalent Ga and three equivalent C atoms. All V–Ga bond lengths are 2.71 Å. All V–C bond lengths are 2.02 Å. Ga is bonded to six equivalent V atoms to form distorted GaV6 cuboctahedra that share corners with six equivalent CV6 octahedra, edges with six equivalent GaV6 cuboctahedra, and edges with six equivalent CV6 octahedra. The corner-sharing octahedral tilt angles are 18°. C is bonded to six equivalent V atoms to form CV6 octahedra that share corners with six equivalent GaV6 cuboctahedra, edges with six equivalent GaV6 cuboctahedra, and edges with six equivalent CV6 octahedra.