Materials Data on U5As3Se2 by Materials Project

Abstract

U5As3Se2 is Heusler-like structured and crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent U sites. In the first U site, U is bonded in a body-centered cubic geometry to five As and three equivalent Se atoms. There are a spread of U–As bond distances ranging from 3.03–3.06 Å. All U–Se bond lengths are 3.05 Å. In the second U site, U is bonded in a body-centered cubic geometry to four equivalent As and four equivalent Se atoms. All U–As bond lengths are 3.05 Å. All U–Se bond lengths are 3.05 Å. There are three inequivalent As sites. In the first As site, As is bonded in a body-centered cubic geometry to eight U atoms. In the second As site, As is bonded in a body-centered cubic geometry to eight equivalent U atoms. In the third As site, As is bonded in a body-centered cubic geometry to eight equivalent U atoms. Se is bonded in a body-centered cubic geometry to eight U atoms.