Materials Data on Ta3Bi by Materials Project

Abstract

Ta3Bi is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ta is bonded to eight equivalent Ta and four equivalent Bi atoms to form distorted TaTa8Bi4 cuboctahedra that share corners with twelve equivalent TaTa8Bi4 cuboctahedra, edges with eight equivalent BiTa12 cuboctahedra, edges with sixteen equivalent TaTa8Bi4 cuboctahedra, faces with four equivalent BiTa12 cuboctahedra, and faces with fourteen equivalent TaTa8Bi4 cuboctahedra. All Ta–Ta bond lengths are 3.03 Å. All Ta–Bi bond lengths are 3.03 Å. Bi is bonded to twelve equivalent Ta atoms to form BiTa12 cuboctahedra that share corners with twelve equivalent BiTa12 cuboctahedra, edges with twenty-four equivalent TaTa8Bi4 cuboctahedra, faces with six equivalent BiTa12 cuboctahedra, and faces with twelve equivalent TaTa8Bi4 cuboctahedra.