ZrO2In2O3 crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(5) atoms to form distorted ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, corners with four equivalent In(2)O6 octahedra, and edges with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-69°. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(3), two equivalent O(4), and three equivalent O(2) atoms to form distorted InO6 octahedra that share corners with two equivalent In(2)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, edges with two equivalent In(2)O6 octahedra, and edges with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-69°. In the second In site, In(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, edges with two equivalent In(1)O6 octahedra, and edges with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zr(1) and two equivalent In(2) atoms. In the second O site, O(2) is bonded to one Zr(1) and three equivalent In(1) atoms to form OZrIn3 tetrahedra that share corners with two equivalent O(2)ZrIn3 tetrahedra, corners with four equivalent O(4)In4 tetrahedra, corners with four equivalent O(3)ZrIn3 tetrahedra,  an edgeedge with one O(4)In4 tetrahedra, and edges with two equivalent O(2)ZrIn3 tetrahedra. In the third O site, O(3) is bonded to one Zr(1), one In(1), and two equivalent In(2) atoms to form OZrIn3 tetrahedra that share corners with two equivalent O(4)In4 tetrahedra, corners with two equivalent O(3)ZrIn3 tetrahedra, corners with four equivalent O(2)ZrIn3 tetrahedra, and edges with two equivalent O(4)In4 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form OIn4 tetrahedra that share corners with two equivalent O(3)ZrIn3 tetrahedra, corners with four equivalent O(4)In4 tetrahedra, corners with four equivalent O(2)ZrIn3 tetrahedra,  an edgeedge with one O(2)ZrIn3 tetrahedra, and edges with two equivalent O(3)ZrIn3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) atoms.
ZrO2In2O3 crystallizes in the orthorhombic Pnma space group. Zr(1) is bonded to one O(1), one O(2), one O(3), and three equivalent O(5) atoms to form distorted ZrO6 octahedra that share corners with two equivalent Zr(1)O6 octahedra, corners with four equivalent In(1)O6 octahedra, corners with four equivalent In(2)O6 octahedra, and edges with two equivalent Zr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 40-69°. The Zr(1)-O(1) bond length is 2.00 Å. The Zr(1)-O(2) bond length is 2.19 Å. The Zr(1)-O(3) bond length is 2.17 Å. There are two shorter (1.97 Å) and one longer (2.32 Å) Zr(1)-O(5) bond length. There are two inequivalent In sites. In the first In site, In(1) is bonded to one O(3), two equivalent O(4), and three equivalent O(2) atoms to form distorted InO6 octahedra that share corners with two equivalent In(2)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, edges with two equivalent In(2)O6 octahedra, and edges with four equivalent In(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-69°. The In(1)-O(3) bond length is 2.21 Å. Both In(1)-O(4) bond lengths are 2.35 Å. There is one shorter (2.21 Å) and two longer (2.34 Å) In(1)-O(2) bond lengths. In the second In site, In(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form InO6 octahedra that share corners with two equivalent In(1)O6 octahedra, corners with two equivalent In(2)O6 octahedra, corners with four equivalent Zr(1)O6 octahedra, edges with two equivalent In(1)O6 octahedra, and edges with two equivalent In(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-66°. Both In(2)-O(1) bond lengths are 2.24 Å. Both In(2)-O(3) bond lengths are 2.35 Å. Both In(2)-O(4) bond lengths are 2.21 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Zr(1) and two equivalent In(2) atoms. In the second O site, O(2) is bonded to one Zr(1) and three equivalent In(1) atoms to form OZrIn3 tetrahedra that share corners with two equivalent O(2)ZrIn3 tetrahedra, corners with four equivalent O(4)In4 tetrahedra, corners with four equivalent O(3)ZrIn3 tetrahedra,  an edgeedge with one O(4)In4 tetrahedra, and edges with two equivalent O(2)ZrIn3 tetrahedra. In the third O site, O(3) is bonded to one Zr(1), one In(1), and two equivalent In(2) atoms to form OZrIn3 tetrahedra that share corners with two equivalent O(4)In4 tetrahedra, corners with two equivalent O(3)ZrIn3 tetrahedra, corners with four equivalent O(2)ZrIn3 tetrahedra, and edges with two equivalent O(4)In4 tetrahedra. In the fourth O site, O(4) is bonded to two equivalent In(1) and two equivalent In(2) atoms to form OIn4 tetrahedra that share corners with two equivalent O(3)ZrIn3 tetrahedra, corners with four equivalent O(4)In4 tetrahedra, corners with four equivalent O(2)ZrIn3 tetrahedra,  an edgeedge with one O(2)ZrIn3 tetrahedra, and edges with two equivalent O(3)ZrIn3 tetrahedra. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to three equivalent Zr(1) atoms.