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Materials Data on Li3Si3Ag2 by Materials Project

Li3Ag2Si3 crystallizes in the tetragonal P4_2/nnm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded in a 6-coordinate geometry to six Si atoms. All Li–Si bond lengths are 2.71 Å. In the second Li site, Li is bonded to four equivalent Ag atoms to form distorted corner-sharing LiAg4 tetrahedra. All Li–Ag bond lengths are 2.71 Å. Ag is bonded in a 2-coordinate geometry to two equivalent Li and two equivalent Si atoms. Both Ag–Si bond lengths are 2.71 Å. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 4-coordinate geometry to four equivalent Li atoms. In the second Si site, Si is bonded in a distorted body-centered cubic geometry to four equivalent Li and four equivalent Ag atoms.

36 MATERIALS SCIENCE↗