Materials Data on Eu3Th by Materials Project

Abstract

ThEu3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Th is bonded to twelve Eu atoms to form ThEu12 cuboctahedra that share corners with four equivalent ThEu12 cuboctahedra, corners with eight equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen equivalent EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and eight longer (3.80 Å) Th–Eu bond lengths. There are two inequivalent Eu sites. In the first Eu site, Eu is bonded to four equivalent Th and eight Eu atoms to form EuEu8Th4 cuboctahedra that share corners with twelve equivalent EuEu8Th4 cuboctahedra, edges with eight equivalent ThEu12 cuboctahedra, edges with sixteen EuEu8Th4 cuboctahedra, faces with four equivalent ThEu12 cuboctahedra, and faces with fourteen EuEu8Th4 cuboctahedra. There are four shorter (3.79 Å) and four longer (3.80 Å) Eu–Eu bond lengths. In the second Eu site, Eu is bonded to four equivalent Th and eight equivalent Eu atoms to form EuEu8Th4 cuboctahedra that share corners with four equivalent EuEu8Th4 cuboctahedra, corners with eight equivalent ThEu12 cuboctahedra, edges with twenty-four EuEu8Th4 cuboctahedra, faces with six equivalent ThEu12 cuboctahedra, and faces with twelve EuEu8Th4 cuboctahedra.