Materials Data on U2Cu4As5 by Materials Project

Abstract

U2Cu4As5 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to eight As3- atoms. There are four shorter (2.94 Å) and four longer (3.00 Å) U–As bond lengths. Cu+1.25+ is bonded to four As3- atoms to form a mixture of corner and edge-sharing CuAs4 tetrahedra. There are two shorter (2.44 Å) and two longer (2.56 Å) Cu–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent Cu+1.25+ atoms. In the second As3- site, As3- is bonded in a body-centered cubic geometry to eight equivalent Cu+1.25+ atoms. In the third As3- site, As3- is bonded in a 8-coordinate geometry to four equivalent U5+ and four equivalent As3- atoms. All As–As bond lengths are 2.82 Å.