Materials Data on V2InC by Materials Project

Abstract

V2InC 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 In and three equivalent C atoms. All V–In bond lengths are 2.93 Å. All V–C bond lengths are 2.04 Å. In is bonded to six equivalent V and six equivalent In atoms to form InV6In6 cuboctahedra that share corners with six equivalent InV6In6 cuboctahedra, corners with six equivalent CV6 octahedra, edges with six equivalent InV6In6 cuboctahedra, edges with six equivalent CV6 octahedra, and faces with six equivalent InV6In6 cuboctahedra. The corner-sharing octahedral tilt angles are 22°. All In–In bond lengths are 3.02 Å. C is bonded to six equivalent V atoms to form CV6 octahedra that share corners with six equivalent InV6In6 cuboctahedra, edges with six equivalent InV6In6 cuboctahedra, and edges with six equivalent CV6 octahedra.