In(O4I)3 crystallizes in the triclinic P-1 space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms. In the second In site, In(2) is bonded in an octahedral geometry to two equivalent O(10), two equivalent O(11), and two equivalent O(2) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one In(1) and one I(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one In(2) and one I(1) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one I(1) and one I(3) atom. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to 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 I(1) and one I(2) atom. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent I(2) atoms. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one O(10) and one I(3) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one In(1) and one I(3) atom. In the ninth O site, O(9) is bonded in a single-bond geometry to one I(3) atom. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one In(2) and one O(7) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one In(2) and one O(12) atom. In the twelfth O site, O(12) is bonded in a single-bond geometry to one O(11) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one O(4), one O(5), and two equivalent O(6) atoms. In the third I site, I(3) is bonded in a 4-coordinate geometry to one O(3), one O(7), one O(8), and one O(9) atom.
In(O4I)3 crystallizes in the triclinic P-1 space group. There are two inequivalent In sites. In the first In site, In(1) is bonded in an octahedral geometry to two equivalent O(1), two equivalent O(4), and two equivalent O(8) atoms. Both In(1)-O(1) bond lengths are 2.20 Å. Both In(1)-O(4) bond lengths are 2.21 Å. Both In(1)-O(8) bond lengths are 2.17 Å. In the second In site, In(2) is bonded in an octahedral geometry to two equivalent O(10), two equivalent O(11), and two equivalent O(2) atoms. Both In(2)-O(10) bond lengths are 2.21 Å. Both In(2)-O(11) bond lengths are 2.40 Å. Both In(2)-O(2) bond lengths are 2.16 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one In(1) and one I(1) atom. The O(1)-I(1) bond length is 1.84 Å. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one In(2) and one I(1) atom. The O(2)-I(1) bond length is 1.87 Å. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one I(1) and one I(3) atom. The O(3)-I(1) bond length is 1.82 Å. The O(3)-I(3) bond length is 2.51 Å. In the fourth O site, O(4) is bonded in a distorted bent 120 degrees geometry to one In(1) and one I(2) atom. The O(4)-I(2) bond length is 1.88 Å. In the fifth O site, O(5) is bonded in a distorted single-bond geometry to one I(1) and one I(2) atom. The O(5)-I(1) bond length is 2.56 Å. The O(5)-I(2) bond length is 1.82 Å. In the sixth O site, O(6) is bonded in a distorted single-bond geometry to two equivalent I(2) atoms. There is one shorter (1.86 Å) and one longer (2.47 Å) O(6)-I(2) bond length. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one O(10) and one I(3) atom. The O(7)-O(10) bond length is 1.36 Å. The O(7)-I(3) bond length is 2.16 Å. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one In(1) and one I(3) atom. The O(8)-I(3) bond length is 1.86 Å. In the ninth O site, O(9) is bonded in a single-bond geometry to one I(3) atom. The O(9)-I(3) bond length is 1.81 Å. In the tenth O site, O(10) is bonded in a bent 120 degrees geometry to one In(2) and one O(7) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one In(2) and one O(12) atom. The O(11)-O(12) bond length is 1.25 Å. In the twelfth O site, O(12) is bonded in a single-bond geometry to one O(11) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second I site, I(2) is bonded in a 4-coordinate geometry to one O(4), one O(5), and two equivalent O(6) atoms. In the third I site, I(3) is bonded in a 4-coordinate geometry to one O(3), one O(7), one O(8), and one O(9) atom.