Materials Data on Li7Ge2 by Materials Project

Abstract

Li7Ge2 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are six inequivalent Li sites. In the first Li site, Li is bonded in a 3-coordinate geometry to one Li and three Ge atoms. The Li–Li bond length is 2.55 Å. There are two shorter (2.69 Å) and one longer (2.70 Å) Li–Ge bond lengths. In the second Li site, Li is bonded in a 8-coordinate geometry to four equivalent Ge atoms. All Li–Ge bond lengths are 2.66 Å. In the third Li site, Li is bonded in a distorted body-centered cubic geometry to eight Li atoms. All Li–Li bond lengths are 2.68 Å. In the fourth Li site, Li is bonded in a 4-coordinate geometry to two equivalent Li and four Ge atoms. There are two shorter (2.78 Å) and two longer (2.81 Å) Li–Ge bond lengths. In the fifth Li site, Li is bonded in a 10-coordinate geometry to four Ge atoms. There are two shorter (2.70 Å) and two longer (2.98 Å) Li–Ge bond lengths. In the sixth Li site, Li is bonded in a 1-coordinate geometry to two equivalent Ge atoms. There are one shorter (2.70 Å) and one longer (2.94 Å) Li–Ge bond lengths. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to eight Li atoms. In the second Ge site, Ge is bonded in a 12-coordinate geometry to twelve Li atoms.