LiBa3In11 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent In(1) and six equivalent In(2) atoms to form face-sharing LiIn12 cuboctahedra. Ba(1) is bonded in a 14-coordinate geometry to two equivalent In(2), four equivalent In(3), and eight equivalent In(1) atoms. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 11-coordinate geometry to one Li(1), four equivalent Ba(1), one In(3), two equivalent In(1), and three equivalent In(2) atoms. In the second In site, In(2) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Ba(1), two equivalent In(2), and six equivalent In(1) atoms. In the third In site, In(3) is bonded in a 9-coordinate geometry to six equivalent Ba(1) and three equivalent In(1) atoms.
LiBa3In11 crystallizes in the hexagonal P6_3/mmc space group. Li(1) is bonded to six equivalent In(1) and six equivalent In(2) atoms to form face-sharing LiIn12 cuboctahedra. All Li(1)-In(1) bond lengths are 3.12 Å. All Li(1)-In(2) bond lengths are 3.05 Å. Ba(1) is bonded in a 14-coordinate geometry to two equivalent In(2), four equivalent In(3), and eight equivalent In(1) atoms. Both Ba(1)-In(2) bond lengths are 3.70 Å. There are two shorter (3.88 Å) and two longer (3.94 Å) Ba(1)-In(3) bond lengths. There are four shorter (3.73 Å) and four longer (4.05 Å) Ba(1)-In(1) bond lengths. There are three inequivalent In sites. In the first In site, In(1) is bonded in a 11-coordinate geometry to one Li(1), four equivalent Ba(1), one In(3), two equivalent In(1), and three equivalent In(2) atoms. The In(1)-In(3) bond length is 2.99 Å. Both In(1)-In(1) bond lengths are 3.22 Å. There is one shorter (3.11 Å) and two longer (3.33 Å) In(1)-In(2) bond lengths. In the second In site, In(2) is bonded in a 12-coordinate geometry to two equivalent Li(1), two equivalent Ba(1), two equivalent In(2), and six equivalent In(1) atoms. Both In(2)-In(2) bond lengths are 3.24 Å. In the third In site, In(3) is bonded in a 9-coordinate geometry to six equivalent Ba(1) and three equivalent In(1) atoms.