Ba3Li4Sn8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sn(2), and four equivalent Sn(1) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent Sn(2) and two equivalent Sn(3) atoms. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), one Sn(3), three equivalent Sn(2), and six equivalent Sn(1) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Sn(2), four equivalent Sn(1), and four equivalent Sn(3) atoms. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to two equivalent Li(1), one Ba(2), and three equivalent Ba(1) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Li(2), one Ba(2), and three equivalent Ba(1) atoms. In the third Sn site, Sn(3) is bonded in a 2-coordinate geometry to two equivalent Li(2), one Ba(1), and two equivalent Ba(2) atoms.
Ba3Li4Sn8 crystallizes in the monoclinic C2/m space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a 5-coordinate geometry to two equivalent Ba(1), one Sn(2), and four equivalent Sn(1) atoms. Both Li(1)-Ba(1) bond lengths are 3.69 Å. The Li(1)-Sn(2) bond length is 2.92 Å. All Li(1)-Sn(1) bond lengths are 2.99 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to two equivalent Sn(2) and two equivalent Sn(3) atoms. Both Li(2)-Sn(2) bond lengths are 2.87 Å. Both Li(2)-Sn(3) bond lengths are 2.79 Å. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 12-coordinate geometry to two equivalent Li(1), one Sn(3), three equivalent Sn(2), and six equivalent Sn(1) atoms. The Ba(1)-Sn(3) bond length is 3.60 Å. There are two shorter (3.66 Å) and one longer (3.77 Å) Ba(1)-Sn(2) bond length. There are a spread of Ba(1)-Sn(1) bond distances ranging from 3.81-3.89 Å. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to two equivalent Sn(2), four equivalent Sn(1), and four equivalent Sn(3) atoms. Both Ba(2)-Sn(2) bond lengths are 3.66 Å. All Ba(2)-Sn(1) bond lengths are 3.75 Å. All Ba(2)-Sn(3) bond lengths are 3.67 Å. There are three inequivalent Sn sites. In the first Sn site, Sn(1) is bonded in a 2-coordinate geometry to two equivalent Li(1), one Ba(2), and three equivalent Ba(1) atoms. In the second Sn site, Sn(2) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Li(2), one Ba(2), and three equivalent Ba(1) atoms. In the third Sn site, Sn(3) is bonded in a 2-coordinate geometry to two equivalent Li(2), one Ba(1), and two equivalent Ba(2) atoms.