Results for “Co-Ge-Li” | Engineering Papers

DOE OSTI2020

Materials Data on LiCo2Ge by Materials Project

LiCo2Ge is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to eight equivalent Co and six equivalent Ge atoms. All Li–Co bond lengths are 2.43 Å. All Li–Ge bond lengths are 2.81 Å. Co is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ge atoms. All Co–Ge bond lengths are 2.43 Å. Ge is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Co atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Li(CoGe)6 by Materials Project

Li(CoGe)6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Li is bonded in a 8-coordinate geometry to twelve equivalent Co and eight Ge atoms. All Li–Co bond lengths are 3.17 Å. There are two shorter (2.54 Å) and six longer (2.92 Å) Li–Ge bond lengths. Co is bonded to two equivalent Li, four equivalent Co, and six Ge atoms to form a mixture of distorted face, edge, and corner-sharing CoLi2Co4Ge6 cuboctahedra. All Co–Co bond lengths are 2.53 Å. There are four shorter (2.41 Å) and two longer (2.60 Å) Co–Ge bond lengths. There are three inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Li and six equivalent Co atoms. In the second Ge site, Ge is bonded in a 6-coordinate geometry to six equivalent Co atoms. In the third Ge site, Ge is bonded in a distorted single-bond geometry to one Li, six equivalent Co, and one Ge atom. The Ge–Ge bond length is 2.58 Å.

36 MATERIALS SCIENCE↗