Materials Data on Mg(Co2Ge3)2 by Materials Project

Abstract

Mg(Co2Ge3)2 crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Mg is bonded to four equivalent Co and eight Ge atoms to form distorted corner-sharing MgCo4Ge8 cuboctahedra. All Mg–Co bond lengths are 2.89 Å. There are four shorter (2.95 Å) and four longer (3.09 Å) Mg–Ge bond lengths. Co is bonded in a 7-coordinate geometry to one Mg and six Ge atoms. There are a spread of Co–Ge bond distances ranging from 2.29–2.48 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 5-coordinate geometry to one Mg and four equivalent Co atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to two equivalent Mg and four equivalent Co atoms.