Ba3Zn5In2O11 crystallizes in the cubic F-43m space group. Ba(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(5) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra, corners with three equivalent Zn(1)O4 tetrahedra, and corners with three equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. In(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form InO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with three equivalent In(1)O6 octahedra. There are five inequivalent O sites. In the first O site, O(5) is bonded to four equivalent Zn(1) atoms to form corner-sharing OZn4 tetrahedra. In the second O site, O(4) is bonded to six equivalent Ba(1) atoms to form corner-sharing OBa6 octahedra. In the third O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ba(1) and three equivalent Zn(2) atoms. In the fourth O site, O(2) is bonded to two equivalent Ba(1), one Zn(1), one Zn(2), and one In(1) atom to form distorted OBa2Zn2In trigonal bipyramids that share corners with two equivalent O(4)Ba6 octahedra,  a cornercorner with one O(5)Zn4 tetrahedra, corners with three equivalent O(2)Ba2Zn2In trigonal bipyramids, and edges with four equivalent O(2)Ba2Zn2In trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ba(1) and three equivalent In(1) atoms.
Ba3Zn5In2O11 crystallizes in the cubic F-43m space group. Ba(1) is bonded in a 9-coordinate geometry to one O(4), two equivalent O(1), two equivalent O(3), and four equivalent O(2) atoms. The Ba(1)-O(4) bond length is 2.81 Å. Both Ba(1)-O(1) bond lengths are 3.10 Å. Both Ba(1)-O(3) bond lengths are 3.28 Å. All Ba(1)-O(2) bond lengths are 2.84 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(5) and three equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with three equivalent In(1)O6 octahedra, corners with three equivalent Zn(1)O4 tetrahedra, and corners with three equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 54°. The Zn(1)-O(5) bond length is 1.95 Å. All Zn(1)-O(2) bond lengths are 1.96 Å. In the second Zn site, Zn(2) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form ZnO4 tetrahedra that share corners with two equivalent In(1)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, and corners with four equivalent Zn(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 55°. Both Zn(2)-O(1) bond lengths are 2.05 Å. Both Zn(2)-O(2) bond lengths are 1.98 Å. In(1) is bonded to three equivalent O(2) and three equivalent O(3) atoms to form InO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Zn(2)O4 tetrahedra, and edges with three equivalent In(1)O6 octahedra. All In(1)-O(2) bond lengths are 2.21 Å. All In(1)-O(3) bond lengths are 2.25 Å. There are five inequivalent O sites. In the first O site, O(5) is bonded to four equivalent Zn(1) atoms to form corner-sharing OZn4 tetrahedra. In the second O site, O(4) is bonded to six equivalent Ba(1) atoms to form corner-sharing OBa6 octahedra. In the third O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ba(1) and three equivalent Zn(2) atoms. In the fourth O site, O(2) is bonded to two equivalent Ba(1), one Zn(1), one Zn(2), and one In(1) atom to form distorted OBa2Zn2In trigonal bipyramids that share corners with two equivalent O(4)Ba6 octahedra,  a cornercorner with one O(5)Zn4 tetrahedra, corners with three equivalent O(2)Ba2Zn2In trigonal bipyramids, and edges with four equivalent O(2)Ba2Zn2In trigonal bipyramids. The corner-sharing octahedral tilt angles are 52°. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to three equivalent Ba(1) and three equivalent In(1) atoms.