Materials Data on VIn3 by Materials Project

Abstract

VIn3 is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to twelve equivalent In atoms to form VIn12 cuboctahedra that share corners with six equivalent VIn12 cuboctahedra, corners with twelve equivalent InV4In8 cuboctahedra, edges with eighteen equivalent InV4In8 cuboctahedra, faces with eight equivalent VIn12 cuboctahedra, and faces with twelve equivalent InV4In8 cuboctahedra. There are six shorter (3.09 Å) and six longer (3.17 Å) V–In bond lengths. In is bonded to four equivalent V and eight equivalent In atoms to form InV4In8 cuboctahedra that share corners with four equivalent VIn12 cuboctahedra, corners with fourteen equivalent InV4In8 cuboctahedra, edges with six equivalent VIn12 cuboctahedra, edges with twelve equivalent InV4In8 cuboctahedra, faces with four equivalent VIn12 cuboctahedra, and faces with sixteen equivalent InV4In8 cuboctahedra. There are a spread of In–In bond distances ranging from 3.03–3.21 Å.