LiIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form LiIn12 cuboctahedra that share corners with four equivalent Li(1)In12 cuboctahedra, edges with eight equivalent Li(1)In12 cuboctahedra, edges with sixteen equivalent In(1)Li4In8 cuboctahedra, faces with four equivalent Li(1)In12 cuboctahedra, and faces with eight equivalent In(1)Li4In8 cuboctahedra. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Li(1), four equivalent In(1), and four equivalent In(2) atoms to form distorted InLi4In8 cuboctahedra that share corners with twelve equivalent In(1)Li4In8 cuboctahedra, edges with eight equivalent Li(1)In12 cuboctahedra, edges with eight equivalent In(1)Li4In8 cuboctahedra, faces with four equivalent Li(1)In12 cuboctahedra, and faces with ten equivalent In(1)Li4In8 cuboctahedra. In the second In site, In(2) is bonded in a distorted square co-planar geometry to four equivalent Li(1) and eight equivalent In(1) atoms.
LiIn3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. Li(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form LiIn12 cuboctahedra that share corners with four equivalent Li(1)In12 cuboctahedra, edges with eight equivalent Li(1)In12 cuboctahedra, edges with sixteen equivalent In(1)Li4In8 cuboctahedra, faces with four equivalent Li(1)In12 cuboctahedra, and faces with eight equivalent In(1)Li4In8 cuboctahedra. All Li(1)-In(2) bond lengths are 3.17 Å. All Li(1)-In(1) bond lengths are 3.21 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded to four equivalent Li(1), four equivalent In(1), and four equivalent In(2) atoms to form distorted InLi4In8 cuboctahedra that share corners with twelve equivalent In(1)Li4In8 cuboctahedra, edges with eight equivalent Li(1)In12 cuboctahedra, edges with eight equivalent In(1)Li4In8 cuboctahedra, faces with four equivalent Li(1)In12 cuboctahedra, and faces with ten equivalent In(1)Li4In8 cuboctahedra. All In(1)-In(1) bond lengths are 3.17 Å. All In(1)-In(2) bond lengths are 3.21 Å. In the second In site, In(2) is bonded in a distorted square co-planar geometry to four equivalent Li(1) and eight equivalent In(1) atoms.