Materials Data on TiCoGe by Materials Project
TiCoGe crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Co and five Ge atoms. There are two shorter (2.76 Å) and four longer (2.98 Å) Ti–Co bond lengths. There are four shorter (2.62 Å) and one longer (2.67 Å) Ti–Ge bond lengths. Co is bonded to six equivalent Ti, two equivalent Co, and four Ge atoms to form a mixture of distorted edge, face, and corner-sharing CoTi6Co2Ge4 cuboctahedra. Both Co–Co bond lengths are 2.60 Å. There are two shorter (2.39 Å) and two longer (2.40 Å) Co–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted q6 geometry to three equivalent Ti and six equivalent Co atoms. In the second Ge site, Ge is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Co atoms.