Materials Data on Ti6Co16Ge7 by Materials Project

Abstract

Ti6Co16Ge7 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to eight Co and four equivalent Ge atoms. There are four shorter (2.68 Å) and four longer (2.81 Å) Ti–Co bond lengths. All Ti–Ge bond lengths are 2.89 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded in a 4-coordinate geometry to three equivalent Ti, six Co, and four Ge atoms. There are three shorter (2.53 Å) and three longer (2.71 Å) Co–Co bond lengths. There are one shorter (2.35 Å) and three longer (2.48 Å) Co–Ge bond lengths. In the second Co site, Co is bonded in a 12-coordinate geometry to three equivalent Ti, three equivalent Co, and three equivalent Ge atoms. All Co–Ge bond lengths are 2.31 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded to four equivalent Ti and eight Co atoms to form a mixture of distorted corner and face-sharing GeTi4Co8 cuboctahedra. In the second Ge site, Ge is bonded in a body-centered cubic geometry to eight equivalent Co atoms.