Materials Data on In3Au by Materials Project

Abstract

AuIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Au is bonded to twelve In atoms to form AuIn12 cuboctahedra that share corners with four equivalent AuIn12 cuboctahedra, edges with eight equivalent AuIn12 cuboctahedra, edges with sixteen equivalent InIn8Au4 cuboctahedra, faces with four equivalent AuIn12 cuboctahedra, and faces with eight equivalent InIn8Au4 cuboctahedra. There are four shorter (3.16 Å) and eight longer (3.30 Å) Au–In bond lengths. There are two inequivalent In sites. In the first In site, In is bonded to four equivalent Au and eight In atoms to form distorted InIn8Au4 cuboctahedra that share corners with twelve equivalent InIn8Au4 cuboctahedra, edges with eight equivalent AuIn12 cuboctahedra, edges with eight equivalent InIn8Au4 cuboctahedra, faces with four equivalent AuIn12 cuboctahedra, and faces with ten equivalent InIn8Au4 cuboctahedra. There are four shorter (3.16 Å) and four longer (3.30 Å) In–In bond lengths. In the second In site, In is bonded in a square co-planar geometry to four equivalent Au and eight equivalent In atoms.