Materials Data on VIr3 by Materials Project

Abstract

Ir3V is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. V is bonded to twelve equivalent Ir atoms to form VIr12 cuboctahedra that share corners with six equivalent VIr12 cuboctahedra, corners with twelve equivalent IrV4Ir8 cuboctahedra, edges with eighteen equivalent IrV4Ir8 cuboctahedra, faces with eight equivalent VIr12 cuboctahedra, and faces with twelve equivalent IrV4Ir8 cuboctahedra. There are six shorter (2.69 Å) and six longer (2.73 Å) V–Ir bond lengths. Ir is bonded to four equivalent V and eight equivalent Ir atoms to form distorted IrV4Ir8 cuboctahedra that share corners with four equivalent VIr12 cuboctahedra, corners with fourteen equivalent IrV4Ir8 cuboctahedra, edges with six equivalent VIr12 cuboctahedra, edges with twelve equivalent IrV4Ir8 cuboctahedra, faces with four equivalent VIr12 cuboctahedra, and faces with sixteen equivalent IrV4Ir8 cuboctahedra. There are a spread of Ir–Ir bond distances ranging from 2.69–2.75 Å.