Li7Pb2 crystallizes in the trigonal P-3m1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 14-coordinate geometry to two equivalent Li(2), six equivalent Li(4), and six equivalent Pb(1) atoms. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and three equivalent Pb(1) atoms. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to four equivalent Pb(1) atoms. In the fourth Li site, Li(4) is bonded to three equivalent Li(1) and four equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing LiLi3Pb4 tetrahedra. Pb(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), three equivalent Li(2), four equivalent Li(3), and four equivalent Li(4) atoms.
Li7Pb2 crystallizes in the trigonal P-3m1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 14-coordinate geometry to two equivalent Li(2), six equivalent Li(4), and six equivalent Pb(1) atoms. Both Li(1)-Li(2) bond lengths are 2.74 Å. All Li(1)-Li(4) bond lengths are 2.85 Å. All Li(1)-Pb(1) bond lengths are 3.39 Å. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one Li(1) and three equivalent Pb(1) atoms. All Li(2)-Pb(1) bond lengths are 2.81 Å. In the third Li site, Li(3) is bonded in a 1-coordinate geometry to four equivalent Pb(1) atoms. There is one shorter (2.90 Å) and three longer (3.15 Å) Li(3)-Pb(1) bond lengths. In the fourth Li site, Li(4) is bonded to three equivalent Li(1) and four equivalent Pb(1) atoms to form a mixture of distorted face, corner, and edge-sharing LiLi3Pb4 tetrahedra. There is one shorter (2.89 Å) and three longer (2.95 Å) Li(4)-Pb(1) bond lengths. Pb(1) is bonded in a 11-coordinate geometry to three equivalent Li(1), three equivalent Li(2), four equivalent Li(3), and four equivalent Li(4) atoms.