ZrLi4Ge2 crystallizes in the trigonal R-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Li(2) and three equivalent Ge(1) atoms. In the second Li site, Li(2) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Zr(1), and four equivalent Ge(1) atoms. Zr(1) is bonded in a distorted linear geometry to six equivalent Li(2) and two equivalent Ge(1) atoms. Ge(1) is bonded to three equivalent Li(1), four equivalent Li(2), and one Zr(1) atom to form a mixture of distorted edge and corner-sharing GeLi7Zr hexagonal bipyramids.
ZrLi4Ge2 crystallizes in the trigonal R-3m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Li(2) and three equivalent Ge(1) atoms. All Li(1)-Li(2) bond lengths are 2.58 Å. All Li(1)-Ge(1) bond lengths are 2.66 Å. In the second Li site, Li(2) is bonded in a 10-coordinate geometry to three equivalent Li(1), three equivalent Zr(1), and four equivalent Ge(1) atoms. All Li(2)-Zr(1) bond lengths are 3.15 Å. There is one shorter (2.67 Å) and three longer (2.71 Å) Li(2)-Ge(1) bond lengths. Zr(1) is bonded in a distorted linear geometry to six equivalent Li(2) and two equivalent Ge(1) atoms. Both Zr(1)-Ge(1) bond lengths are 2.67 Å. Ge(1) is bonded to three equivalent Li(1), four equivalent Li(2), and one Zr(1) atom to form a mixture of distorted edge and corner-sharing GeLi7Zr hexagonal bipyramids.