Materials Data on Eu3Ta by Materials Project

Abstract

Eu3Ta is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Eu sites. In the first Eu site, Eu is bonded to eight Eu and four equivalent Ta atoms to form distorted EuEu8Ta4 cuboctahedra that share corners with twelve equivalent EuEu8Ta4 cuboctahedra, edges with eight equivalent TaEu12 cuboctahedra, edges with sixteen EuEu8Ta4 cuboctahedra, faces with four equivalent TaEu12 cuboctahedra, and faces with fourteen EuEu8Ta4 cuboctahedra. There are four shorter (3.47 Å) and four longer (3.54 Å) Eu–Eu bond lengths. All Eu–Ta bond lengths are 3.47 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Ta atoms to form EuEu8Ta4 cuboctahedra that share corners with four equivalent EuEu8Ta4 cuboctahedra, corners with eight equivalent TaEu12 cuboctahedra, edges with twenty-four EuEu8Ta4 cuboctahedra, faces with six equivalent TaEu12 cuboctahedra, and faces with twelve EuEu8Ta4 cuboctahedra. All Eu–Ta bond lengths are 3.54 Å. Ta is bonded to twelve Eu atoms to form TaEu12 cuboctahedra that share corners with four equivalent TaEu12 cuboctahedra, corners with eight equivalent EuEu8Ta4 cuboctahedra, edges with eight equivalent TaEu12 cuboctahedra, edges with sixteen equivalent EuEu8Ta4 cuboctahedra, faces with four equivalent TaEu12 cuboctahedra, and faces with fourteen EuEu8Ta4 cuboctahedra.