Materials Data on Li2ZnSi by Materials Project

Abstract

Li2ZnSi crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a trigonal planar geometry to three equivalent Si4- atoms. All Li–Si bond lengths are 2.50 Å. In the second Li1+ site, Li1+ is bonded in a 1-coordinate geometry to one Zn2+ and four equivalent Si4- atoms. The Li–Zn bond length is 2.50 Å. There are one shorter (2.61 Å) and three longer (2.86 Å) Li–Si bond lengths. Zn2+ is bonded in a 5-coordinate geometry to one Li1+ and four equivalent Si4- atoms. There are one shorter (2.54 Å) and three longer (2.72 Å) Zn–Si bond lengths. Si4- is bonded in a 11-coordinate geometry to seven Li1+ and four equivalent Zn2+ atoms.