Cs2In(O3I)6 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. In(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one In(1), and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1) and one I(1) atom. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1) and one I(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cs(1), one In(1), and one I(2) atom. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1) and one I(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cs(1), one In(1), and one I(3) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(1) and one I(3) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(1) and one I(3) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(7), one O(8), and one O(9) atom.
Cs2In(O3I)6 crystallizes in the triclinic P-1 space group. Cs(1) is bonded in a 9-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(5), one O(6), one O(7), one O(8), and one O(9) atom. The Cs(1)-O(1) bond length is 3.14 Å. The Cs(1)-O(2) bond length is 3.31 Å. The Cs(1)-O(3) bond length is 3.18 Å. The Cs(1)-O(4) bond length is 3.06 Å. The Cs(1)-O(5) bond length is 3.16 Å. The Cs(1)-O(6) bond length is 3.30 Å. The Cs(1)-O(7) bond length is 3.12 Å. The Cs(1)-O(8) bond length is 3.14 Å. The Cs(1)-O(9) bond length is 3.26 Å. In(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(7) atoms. Both In(1)-O(1) bond lengths are 2.18 Å. Both In(1)-O(4) bond lengths are 2.17 Å. Both In(1)-O(7) bond lengths are 2.18 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one Cs(1), one In(1), and one I(1) atom. The O(1)-I(1) bond length is 1.85 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Cs(1) and one I(1) atom. The O(2)-I(1) bond length is 1.83 Å. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Cs(1) and one I(1) atom. The O(3)-I(1) bond length is 1.81 Å. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Cs(1), one In(1), and one I(2) atom. The O(4)-I(2) bond length is 1.85 Å. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one Cs(1) and one I(2) atom. The O(5)-I(2) bond length is 1.84 Å. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to one Cs(1) and one I(2) atom. The O(6)-I(2) bond length is 1.83 Å. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Cs(1), one In(1), and one I(3) atom. The O(7)-I(3) bond length is 1.86 Å. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Cs(1) and one I(3) atom. The O(8)-I(3) bond length is 1.81 Å. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Cs(1) and one I(3) atom. The O(9)-I(3) bond length is 1.85 Å. There are three inequivalent I sites. In the first I site, I(1) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(6) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(7), one O(8), and one O(9) atom.