Materials Data on U2Co3CuGe4 by Materials Project

Abstract

U2Co3CuGe4 crystallizes in the tetragonal P-4m2 space group. The structure is three-dimensional. U is bonded in a 12-coordinate geometry to six Co, two equivalent Cu, and eight Ge atoms. There are four shorter (3.15 Å) and two longer (3.21 Å) U–Co bond lengths. Both U–Cu bond lengths are 3.21 Å. All U–Ge bond lengths are 3.13 Å. There are three inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to four equivalent U and four equivalent Ge atoms. All Co–Ge bond lengths are 2.35 Å. In the second Co site, Co is bonded to four equivalent U and four equivalent Ge atoms to form distorted CoU4Ge4 tetrahedra that share edges with four equivalent CoU4Ge4 tetrahedra and faces with four equivalent CuU4Ge4 tetrahedra. All Co–Ge bond lengths are 2.38 Å. In the third Co site, Co is bonded in a 4-coordinate geometry to four equivalent U and four equivalent Ge atoms. All Co–Ge bond lengths are 2.35 Å. Cu is bonded to four equivalent U and four equivalent Ge atoms to form distorted CuU4Ge4 tetrahedra that share edges with four equivalent CuU4Ge4 tetrahedra and faces with four equivalent CoU4Ge4 tetrahedra. All Cu–Ge bond lengths are 2.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, two equivalent Co, two equivalent Cu, and one Ge atom. The Ge–Ge bond length is 2.48 Å. In the second Ge site, Ge is bonded in a 9-coordinate geometry to four equivalent U, four Co, and one Ge atom.