Materials Data on Th4UTe5 by Materials Project

Abstract

UTh4Te5 is Heusler-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. U is bonded in a body-centered cubic geometry to eight equivalent Te atoms. All U–Te bond lengths are 3.31 Å. There are two inequivalent Th sites. In the first Th site, Th is bonded in a body-centered cubic geometry to eight Te atoms. There are four shorter (3.32 Å) and four longer (3.33 Å) Th–Te bond lengths. In the second Th site, Th is bonded in a body-centered cubic geometry to eight Te atoms. All Th–Te bond lengths are 3.32 Å. There are three inequivalent Te sites. In the first Te site, Te is bonded in a body-centered cubic geometry to four equivalent U and four equivalent Th atoms. In the second Te site, Te is bonded in a body-centered cubic geometry to eight Th atoms. In the third Te site, Te is bonded in a body-centered cubic geometry to eight equivalent Th atoms.