Li2ZnSi crystallizes in the trigonal P-3m1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to three equivalent Zn(1) and three equivalent Si(1) atoms. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Zn(1) and four equivalent Si(1) atoms. Zn(1) is bonded in a 11-coordinate geometry to one Li(2), three equivalent Li(1), three equivalent Zn(1), and four equivalent Si(1) atoms. Si(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), four equivalent Li(2), and four equivalent Zn(1) atoms.
Li2ZnSi crystallizes in the trigonal P-3m1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 3-coordinate geometry to three equivalent Zn(1) and three equivalent Si(1) atoms. All Li(1)-Zn(1) bond lengths are 2.81 Å. All Li(1)-Si(1) bond lengths are 2.50 Å. In the second Li site, Li(2) is bonded in a 2-coordinate geometry to one Zn(1) and four equivalent Si(1) atoms. The Li(2)-Zn(1) bond length is 2.50 Å. There is one shorter (2.61 Å) and three longer (2.86 Å) Li(2)-Si(1) bond lengths. Zn(1) is bonded in a 11-coordinate geometry to one Li(2), three equivalent Li(1), three equivalent Zn(1), and four equivalent Si(1) atoms. All Zn(1)-Zn(1) bond lengths are 2.88 Å. There is one shorter (2.54 Å) and three longer (2.72 Å) Zn(1)-Si(1) bond lengths. Si(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), four equivalent Li(2), and four equivalent Zn(1) atoms.