Materials Data on Li3Ag2 by Materials Project

Abstract

Li3Ag2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are four inequivalent Li sites. In the first Li site, Li is bonded in a 4-coordinate geometry to four equivalent Li and four equivalent Ag atoms. All Li–Li bond lengths are 2.86 Å. All Li–Ag bond lengths are 2.74 Å. In the second Li site, Li is bonded in a body-centered cubic geometry to eight Ag atoms. There are four shorter (2.79 Å) and four longer (2.80 Å) Li–Ag bond lengths. In the third Li site, Li is bonded in a body-centered cubic geometry to eight equivalent Ag atoms. All Li–Ag bond lengths are 2.79 Å. In the fourth Li site, Li is bonded in a 10-coordinate geometry to eight equivalent Li and two equivalent Ag atoms. Both Li–Ag bond lengths are 3.00 Å. There are two inequivalent Ag sites. In the first Ag site, Ag is bonded in a 8-coordinate geometry to nine Li atoms. In the second Ag site, Ag is bonded in a body-centered cubic geometry to eight Li atoms.