Rb2Zr(O3I)6 crystallizes in the trigonal R-3 space group. Rb(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. Zr(1) is bonded in an octahedral geometry to six equivalent O(3) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1) and one I(1) atom. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1) and two equivalent I(1) atoms. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Zr(1), and one I(1) atom. I(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms.
Rb2Zr(O3I)6 crystallizes in the trigonal R-3 space group. Rb(1) is bonded in a 9-coordinate geometry to three equivalent O(1), three equivalent O(2), and three equivalent O(3) atoms. All Rb(1)-O(1) bond lengths are 3.09 Å. All Rb(1)-O(2) bond lengths are 3.13 Å. All Rb(1)-O(3) bond lengths are 3.11 Å. Zr(1) is bonded in an octahedral geometry to six equivalent O(3) atoms. All Zr(1)-O(3) bond lengths are 2.11 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted single-bond geometry to one Rb(1) and one I(1) atom. The O(1)-I(1) bond length is 1.83 Å. In the second O site, O(2) is bonded in a distorted single-bond geometry to one Rb(1) and two equivalent I(1) atoms. There is one shorter (1.82 Å) and one longer (2.57 Å) O(2)-I(1) bond length. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Rb(1), one Zr(1), and one I(1) atom. The O(3)-I(1) bond length is 1.88 Å. I(1) is bonded in a 3-coordinate geometry to one O(1), one O(3), and two equivalent O(2) atoms.