Materials Data on Hf3Ta by Materials Project

Abstract

Hf3Ta is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Hf is bonded to eight equivalent Hf and four equivalent Ta atoms to form HfHf8Ta4 cuboctahedra that share corners with twelve equivalent HfHf8Ta4 cuboctahedra, edges with eight equivalent TaHf12 cuboctahedra, edges with sixteen equivalent HfHf8Ta4 cuboctahedra, faces with four equivalent TaHf12 cuboctahedra, and faces with fourteen equivalent HfHf8Ta4 cuboctahedra. All Hf–Hf bond lengths are 3.12 Å. All Hf–Ta bond lengths are 3.12 Å. Ta is bonded to twelve equivalent Hf atoms to form TaHf12 cuboctahedra that share corners with twelve equivalent TaHf12 cuboctahedra, edges with twenty-four equivalent HfHf8Ta4 cuboctahedra, faces with six equivalent TaHf12 cuboctahedra, and faces with twelve equivalent HfHf8Ta4 cuboctahedra.