Materials Data on Li3Ag2Ge3 by Materials Project

Abstract

Li3Ag2Ge3 crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. there are five inequivalent Li sites. In the first Li site, Li is bonded to four Ag atoms to form distorted corner-sharing LiAg4 tetrahedra. All Li–Ag bond lengths are 2.79 Å. In the second Li site, Li is bonded in a 6-coordinate geometry to six Ag and six Ge atoms. There are four shorter (3.21 Å) and two longer (3.23 Å) Li–Ag bond lengths. All Li–Ge bond lengths are 2.79 Å. In the third Li site, Li is bonded in a 6-coordinate geometry to six Ag and six Ge atoms. There are four shorter (3.21 Å) and two longer (3.23 Å) Li–Ag bond lengths. All Li–Ge bond lengths are 2.79 Å. In the fourth Li site, Li is bonded in a 6-coordinate geometry to six Ag and six Ge atoms. There are four shorter (3.21 Å) and two longer (3.23 Å) Li–Ag bond lengths. All Li–Ge bond lengths are 2.79 Å. In the fifth Li site, Li is bonded in a 6-coordinate geometry to six Ag and six Ge atoms. There are four shorter (3.21 Å) and two longer (3.23 Å) Li–Ag bond lengths. All Li–Ge bond lengths are 2.79 Å. There are four inequivalent Ag sites. In the first Ag site, Ag is bonded in a 2-coordinate geometry to eight Li and six Ge atoms. All Ag–Ge bond lengths are 2.79 Å. In the second Ag site, Ag is bonded in a 2-coordinate geometry to eight Li and six Ge atoms. All Ag–Ge bond lengths are 2.79 Å. In the third Ag site, Ag is bonded in a 2-coordinate geometry to eight Li and six Ge atoms. All Ag–Ge bond lengths are 2.79 Å. In the fourth Ag site, Ag is bonded in a 2-coordinate geometry to eight Li and six Ge atoms. All Ag–Ge bond lengths are 2.79 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Li and four Ag atoms. In the second Ge site, Ge is bonded in a distorted body-centered cubic geometry to four Li and four Ag atoms.