Li2CuSn2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to two equivalent Li(1); two equivalent Cu(1); and seven Sn(1,1) atoms. In the second Li site, Li(1) is bonded in a 11-coordinate geometry to two equivalent Li(1); two equivalent Cu(1); and seven Sn(1,1) atoms. Cu(1) is bonded in a distorted body-centered cubic geometry to four Li(1,1) and four Sn(1,1) atoms. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 11-coordinate geometry to seven Li(1,1); two equivalent Cu(1); and two equivalent Sn(1) atoms. In the second Sn site, Sn(1) is bonded in a 11-coordinate geometry to seven Li(1,1); two equivalent Cu(1); and two equivalent Sn(1) atoms.
Li2CuSn2 crystallizes in the tetragonal I4_1/amd space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 11-coordinate geometry to two equivalent Li(1); two equivalent Cu(1); and seven Sn(1,1) atoms. Both Li(1)-Li(1) bond lengths are 2.90 Å. Both Li(1)-Cu(1) bond lengths are 2.65 Å. There are a spread of Li(1)-Sn(1,1) bond distances ranging from 2.89-3.12 Å. In the second Li site, Li(1) is bonded in a 11-coordinate geometry to two equivalent Li(1); two equivalent Cu(1); and seven Sn(1,1) atoms. Both Li(1)-Li(1) bond lengths are 2.90 Å. Both Li(1)-Cu(1) bond lengths are 2.65 Å. There are a spread of Li(1)-Sn(1,1) bond distances ranging from 2.89-3.12 Å. Cu(1) is bonded in a distorted body-centered cubic geometry to four Li(1,1) and four Sn(1,1) atoms. All Cu(1)-Sn(1,1) bond lengths are 2.62 Å. There are two inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 11-coordinate geometry to seven Li(1,1); two equivalent Cu(1); and two equivalent Sn(1) atoms. Both Sn(1)-Sn(1) bond lengths are 2.97 Å. In the second Sn site, Sn(1) is bonded in a 11-coordinate geometry to seven Li(1,1); two equivalent Cu(1); and two equivalent Sn(1) atoms. Both Sn(1)-Sn(1) bond lengths are 2.97 Å.