Materials Data on Eu3Nb by Materials Project

Abstract

Eu3Nb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Eu is bonded to eight equivalent Eu and four equivalent Nb atoms to form distorted EuEu8Nb4 cuboctahedra that share corners with four equivalent NbEu12 cuboctahedra, corners with fourteen equivalent EuEu8Nb4 cuboctahedra, edges with six equivalent NbEu12 cuboctahedra, edges with twelve equivalent EuEu8Nb4 cuboctahedra, faces with four equivalent NbEu12 cuboctahedra, and faces with sixteen equivalent EuEu8Nb4 cuboctahedra. There are a spread of Eu–Eu bond distances ranging from 3.31–3.65 Å. There are two shorter (3.36 Å) and two longer (3.48 Å) Eu–Nb bond lengths. Nb is bonded to twelve equivalent Eu atoms to form NbEu12 cuboctahedra that share corners with six equivalent NbEu12 cuboctahedra, corners with twelve equivalent EuEu8Nb4 cuboctahedra, edges with eighteen equivalent EuEu8Nb4 cuboctahedra, faces with eight equivalent NbEu12 cuboctahedra, and faces with twelve equivalent EuEu8Nb4 cuboctahedra.