LaIrIn5 crystallizes in the tetragonal P4/mmm space group. La(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form LaIn12 cuboctahedra that share corners with four equivalent La(1)In12 cuboctahedra, faces with four equivalent La(1)In12 cuboctahedra, and faces with four equivalent In(2)La4In8 cuboctahedra. Ir(1) is bonded in a body-centered cubic geometry to eight equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to two equivalent La(1), two equivalent Ir(1), and two equivalent In(2) atoms. In the second In site, In(2) is bonded to four equivalent La(1) and eight equivalent In(1) atoms to form distorted InLa4In8 cuboctahedra that share corners with four equivalent In(2)La4In8 cuboctahedra, faces with four equivalent La(1)In12 cuboctahedra, and faces with four equivalent In(2)La4In8 cuboctahedra.
LaIrIn5 crystallizes in the tetragonal P4/mmm space group. La(1) is bonded to four equivalent In(2) and eight equivalent In(1) atoms to form LaIn12 cuboctahedra that share corners with four equivalent La(1)In12 cuboctahedra, faces with four equivalent La(1)In12 cuboctahedra, and faces with four equivalent In(2)La4In8 cuboctahedra. All La(1)-In(2) bond lengths are 3.34 Å. All La(1)-In(1) bond lengths are 3.33 Å. Ir(1) is bonded in a body-centered cubic geometry to eight equivalent In(1) atoms. All Ir(1)-In(1) bond lengths are 2.78 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 4-coordinate geometry to two equivalent La(1), two equivalent Ir(1), and two equivalent In(2) atoms. Both In(1)-In(2) bond lengths are 3.33 Å. In the second In site, In(2) is bonded to four equivalent La(1) and eight equivalent In(1) atoms to form distorted InLa4In8 cuboctahedra that share corners with four equivalent In(2)La4In8 cuboctahedra, faces with four equivalent La(1)In12 cuboctahedra, and faces with four equivalent In(2)La4In8 cuboctahedra.