Materials Data on Eu3Re by Materials Project

Abstract

Eu3Re is alpha bismuth trifluoride 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 in a 12-coordinate geometry to four equivalent Eu and four equivalent Re atoms. All Eu–Eu bond lengths are 3.32 Å. All Eu–Re bond lengths are 3.32 Å. In the second Eu site, Eu is bonded to eight equivalent Eu and four equivalent Re atoms to form EuEu8Re4 cuboctahedra that share corners with four equivalent EuEu8Re4 cuboctahedra, corners with eight equivalent ReEu12 cuboctahedra, edges with eight equivalent EuEu8Re4 cuboctahedra, faces with four equivalent EuEu8Re4 cuboctahedra, and faces with six equivalent ReEu12 cuboctahedra. All Eu–Re bond lengths are 3.52 Å. Re is bonded to twelve Eu atoms to form ReEu12 cuboctahedra that share corners with four equivalent ReEu12 cuboctahedra, corners with eight equivalent EuEu8Re4 cuboctahedra, edges with eight equivalent ReEu12 cuboctahedra, faces with four equivalent ReEu12 cuboctahedra, and faces with six equivalent EuEu8Re4 cuboctahedra.