Materials Data on Co2CuGe2 by Materials Project

Abstract

Co2CuGe2 crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. there are two inequivalent Co sites. In the first Co site, Co is bonded in a 5-coordinate geometry to two equivalent Co, four equivalent Cu, and five Ge atoms. Both Co–Co bond lengths are 2.59 Å. All Co–Cu bond lengths are 2.54 Å. There are a spread of Co–Ge bond distances ranging from 2.38–2.52 Å. In the second Co site, Co is bonded in a 6-coordinate geometry to four Co and six Ge atoms. Both Co–Co bond lengths are 2.51 Å. There are two shorter (2.39 Å) and four longer (2.44 Å) Co–Ge bond lengths. Cu is bonded to four equivalent Co, two equivalent Cu, and six Ge atoms to form a mixture of corner, edge, and face-sharing CuCo4Cu2Ge6 cuboctahedra. Both Cu–Cu bond lengths are 2.51 Å. There are four shorter (2.65 Å) and two longer (2.82 Å) Cu–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 6-coordinate geometry to six Co and two equivalent Cu atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to five Co and four equivalent Cu atoms.