LiSn crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Sn(1), and six equivalent Sn(2) atoms. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to four equivalent Li(1), four equivalent Sn(1), and four equivalent Sn(2) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Li(1), four equivalent Li(2), and four equivalent Sn(2) atoms to form a mixture of distorted corner and face-sharing SnLi8Sn4 cuboctahedra. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Li(2), six equivalent Li(1), and two equivalent Sn(1) atoms.
LiSn crystallizes in the monoclinic C2/c space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Li(2), two equivalent Sn(1), and six equivalent Sn(2) atoms. There is one shorter (2.94 Å) and one longer (2.95 Å) Li(1)-Li(1) bond length. There is one shorter (3.14 Å) and one longer (3.15 Å) Li(1)-Li(2) bond length. There is one shorter (3.14 Å) and one longer (3.15 Å) Li(1)-Sn(1) bond length. There are a spread of Li(1)-Sn(2) bond distances ranging from 3.08-3.14 Å. In the second Li site, Li(2) is bonded in a 8-coordinate geometry to four equivalent Li(1), four equivalent Sn(1), and four equivalent Sn(2) atoms. There are three shorter (3.13 Å) and one longer (3.14 Å) Li(2)-Sn(1) bond length. There are two shorter (3.00 Å) and two longer (3.01 Å) Li(2)-Sn(2) bond lengths. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to four equivalent Li(1), four equivalent Li(2), and four equivalent Sn(2) atoms to form a mixture of distorted corner and face-sharing SnLi8Sn4 cuboctahedra. There are two shorter (3.00 Å) and two longer (3.01 Å) Sn(1)-Sn(2) bond lengths. In the second Sn site, Sn(2) is bonded in a 8-coordinate geometry to two equivalent Li(2), six equivalent Li(1), and two equivalent Sn(1) atoms.