Materials Data on U3Ta by Materials Project

Abstract

U3Ta is beta-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. U is bonded to eight equivalent U and four equivalent Ta atoms to form distorted UU8Ta4 cuboctahedra that share corners with four equivalent TaU12 cuboctahedra, corners with fourteen equivalent UU8Ta4 cuboctahedra, edges with six equivalent TaU12 cuboctahedra, edges with twelve equivalent UU8Ta4 cuboctahedra, faces with four equivalent TaU12 cuboctahedra, and faces with sixteen equivalent UU8Ta4 cuboctahedra. There are a spread of U–U bond distances ranging from 2.78–3.29 Å. There are two shorter (2.98 Å) and two longer (3.17 Å) U–Ta bond lengths. Ta is bonded to twelve equivalent U atoms to form TaU12 cuboctahedra that share corners with six equivalent TaU12 cuboctahedra, corners with twelve equivalent UU8Ta4 cuboctahedra, edges with eighteen equivalent UU8Ta4 cuboctahedra, faces with eight equivalent TaU12 cuboctahedra, and faces with twelve equivalent UU8Ta4 cuboctahedra.