Ba5IrIn2Al2O13Cl crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), six equivalent O(1), and three equivalent Cl(1) atoms to form distorted BaCl3O9 cuboctahedra that share edges with six equivalent Ba(1)Cl3O9 cuboctahedra, edges with six equivalent Al(1)O4 tetrahedra, and faces with two equivalent In(1)O6 octahedra. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(1) and nine equivalent O(3) atoms. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to three equivalent O(3), six equivalent O(1), and one Cl(1) atom. Ir(1) is bonded to six equivalent O(3) atoms to form IrO6 octahedra that share faces with two equivalent In(1)O6 octahedra. In(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form InO6 octahedra that share corners with three equivalent Al(1)O4 tetrahedra,  a faceface with one Ba(1)Cl3O9 cuboctahedra, and  a faceface with one Ir(1)O6 octahedra. Al(1) is bonded to one O(2) and three equivalent O(1) atoms to form AlO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra,  a cornercorner with one Al(1)O4 tetrahedra, and edges with three equivalent Ba(1)Cl3O9 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one In(1), and one Al(1) atom. In the second O site, O(2) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded to one Ba(3), three equivalent Ba(2), one Ir(1), and one In(1) atom to form distorted OBa4InIr octahedra that share corners with eleven equivalent O(3)Ba4InIr octahedra,  a cornercorner with one Cl(1)Ba5 trigonal bipyramid, edges with two equivalent O(3)Ba4InIr octahedra, and faces with six equivalent O(3)Ba4InIr octahedra. The corner-sharing octahedral tilt angles range from 0-60°. Cl(1) is bonded to two equivalent Ba(3) and three equivalent Ba(1) atoms to form ClBa5 trigonal bipyramids that share corners with six equivalent O(3)Ba4InIr octahedra and corners with six equivalent Cl(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 41°.
Ba5IrIn2Al2O13Cl crystallizes in the hexagonal P6_3/mmc space group. There are three inequivalent Ba sites. In the first Ba site, Ba(1) is bonded to three equivalent O(2), six equivalent O(1), and three equivalent Cl(1) atoms to form distorted BaCl3O9 cuboctahedra that share edges with six equivalent Ba(1)Cl3O9 cuboctahedra, edges with six equivalent Al(1)O4 tetrahedra, and faces with two equivalent In(1)O6 octahedra. All Ba(1)-O(2) bond lengths are 3.43 Å. All Ba(1)-O(1) bond lengths are 2.99 Å. All Ba(1)-Cl(1) bond lengths are 3.43 Å. In the second Ba site, Ba(2) is bonded in a 12-coordinate geometry to three equivalent O(1) and nine equivalent O(3) atoms. All Ba(2)-O(1) bond lengths are 3.40 Å. There are three shorter (2.89 Å) and six longer (2.98 Å) Ba(2)-O(3) bond lengths. In the third Ba site, Ba(3) is bonded in a 10-coordinate geometry to three equivalent O(3), six equivalent O(1), and one Cl(1) atom. All Ba(3)-O(3) bond lengths are 2.83 Å. All Ba(3)-O(1) bond lengths are 3.04 Å. The Ba(3)-Cl(1) bond length is 3.03 Å. Ir(1) is bonded to six equivalent O(3) atoms to form IrO6 octahedra that share faces with two equivalent In(1)O6 octahedra. All Ir(1)-O(3) bond lengths are 2.00 Å. In(1) is bonded to three equivalent O(1) and three equivalent O(3) atoms to form InO6 octahedra that share corners with three equivalent Al(1)O4 tetrahedra,  a faceface with one Ba(1)Cl3O9 cuboctahedra, and  a faceface with one Ir(1)O6 octahedra. All In(1)-O(1) bond lengths are 2.10 Å. All In(1)-O(3) bond lengths are 2.30 Å. Al(1) is bonded to one O(2) and three equivalent O(1) atoms to form AlO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra,  a cornercorner with one Al(1)O4 tetrahedra, and edges with three equivalent Ba(1)Cl3O9 cuboctahedra. The corner-sharing octahedral tilt angles are 10°. The Al(1)-O(2) bond length is 1.74 Å. All Al(1)-O(1) bond lengths are 1.78 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Ba(1), one Ba(2), two equivalent Ba(3), one In(1), and one Al(1) atom. In the second O site, O(2) is bonded in a linear geometry to three equivalent Ba(1) and two equivalent Al(1) atoms. In the third O site, O(3) is bonded to one Ba(3), three equivalent Ba(2), one Ir(1), and one In(1) atom to form distorted OBa4InIr octahedra that share corners with eleven equivalent O(3)Ba4InIr octahedra,  a cornercorner with one Cl(1)Ba5 trigonal bipyramid, edges with two equivalent O(3)Ba4InIr octahedra, and faces with six equivalent O(3)Ba4InIr octahedra. The corner-sharing octahedral tilt angles range from 0-60°. Cl(1) is bonded to two equivalent Ba(3) and three equivalent Ba(1) atoms to form ClBa5 trigonal bipyramids that share corners with six equivalent O(3)Ba4InIr octahedra and corners with six equivalent Cl(1)Ba5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 41°.