I2O5 crystallizes in the monoclinic P2_1/c space group. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one I(1) and one I(2) atom. In the second O site, O(2) is bonded in a single-bond geometry to one I(1) and one I(2) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent I(2) atoms. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one I(1) and one I(2) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent I(1) atoms. There are two inequivalent I sites. In the first I site, I(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing IO5 square pyramids. In the second I site, I(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms.
I2O5 crystallizes in the monoclinic P2_1/c space group. There are five inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one I(1) and one I(2) atom. The O(1)-I(1) bond length is 1.97 Å. The O(1)-I(2) bond length is 1.91 Å. In the second O site, O(2) is bonded in a single-bond geometry to one I(1) and one I(2) atom. The O(2)-I(1) bond length is 1.78 Å. The O(2)-I(2) bond length is 2.66 Å. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent I(2) atoms. There is one shorter (1.82 Å) and one longer (2.38 Å) O(3)-I(2) bond length. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one I(1) and one I(2) atom. The O(4)-I(1) bond length is 2.47 Å. The O(4)-I(2) bond length is 1.78 Å. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to two equivalent I(1) atoms. There is one shorter (1.86 Å) and one longer (2.19 Å) O(5)-I(1) bond length. There are two inequivalent I sites. In the first I site, I(1) is bonded to one O(1), one O(2), one O(4), and two equivalent O(5) atoms to form distorted corner-sharing IO5 square pyramids. In the second I site, I(2) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(4), and two equivalent O(3) atoms.