K3In(O3I)6 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(8), one O(9), and two equivalent O(6) atoms. In the second K site, K(2) is bonded in a distorted hexagonal bipyramidal geometry to two equivalent O(2), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. In(1) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1) and one I(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one I(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one I(1), and one I(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one K(1), one In(1), and one I(3) atom. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one In(1) and one I(1) atom. In the sixth O site, O(6) is bonded to one K(2), two equivalent K(1), and one I(3) atom to form a mixture of distorted corner and edge-sharing OK3I trigonal pyramids. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), one I(1), and two equivalent I(3) atoms. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one I(1), and one I(3) atom. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one In(1), and one I(2) atom. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(3), one O(5), one O(7), and one O(8) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(9) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(4), one O(6), one O(8), and two equivalent O(7) atoms.
K3In(O3I)6 crystallizes in the triclinic P-1 space group. There are two inequivalent K sites. In the first K site, K(1) is bonded in a 8-coordinate geometry to one O(1), one O(2), one O(3), one O(4), one O(8), one O(9), and two equivalent O(6) atoms. The K(1)-O(1) bond length is 2.77 Å. The K(1)-O(2) bond length is 2.80 Å. The K(1)-O(3) bond length is 2.72 Å. The K(1)-O(4) bond length is 3.10 Å. The K(1)-O(8) bond length is 2.90 Å. The K(1)-O(9) bond length is 2.96 Å. There is one shorter (2.68 Å) and one longer (2.76 Å) K(1)-O(6) bond length. In the second K site, K(2) is bonded in a distorted hexagonal bipyramidal geometry to two equivalent O(2), two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms. Both K(2)-O(2) bond lengths are 2.82 Å. Both K(2)-O(3) bond lengths are 3.07 Å. Both K(2)-O(6) bond lengths are 2.77 Å. Both K(2)-O(7) bond lengths are 2.86 Å. In(1) is bonded in an octahedral geometry to two equivalent O(4), two equivalent O(5), and two equivalent O(9) atoms. Both In(1)-O(4) bond lengths are 2.15 Å. Both In(1)-O(5) bond lengths are 2.15 Å. Both In(1)-O(9) bond lengths are 2.21 Å. There are nine inequivalent O sites. In the first O site, O(1) is bonded in a 2-coordinate geometry to one K(1) and one I(2) atom. The O(1)-I(2) bond length is 1.81 Å. In the second O site, O(2) is bonded in a 3-coordinate geometry to one K(1), one K(2), and one I(2) atom. The O(2)-I(2) bond length is 1.80 Å. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one K(1), one K(2), one I(1), and one I(2) atom. The O(3)-I(1) bond length is 1.81 Å. The O(3)-I(2) bond length is 2.62 Å. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one K(1), one In(1), and one I(3) atom. The O(4)-I(3) bond length is 1.84 Å. In the fifth O site, O(5) is bonded in a distorted bent 150 degrees geometry to one In(1) and one I(1) atom. The O(5)-I(1) bond length is 1.86 Å. In the sixth O site, O(6) is bonded to one K(2), two equivalent K(1), and one I(3) atom to form a mixture of distorted corner and edge-sharing OK3I trigonal pyramids. The O(6)-I(3) bond length is 1.79 Å. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one K(2), one I(1), and two equivalent I(3) atoms. The O(7)-I(1) bond length is 2.50 Å. There is one shorter (1.85 Å) and one longer (2.67 Å) O(7)-I(3) bond length. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one K(1), one I(1), and one I(3) atom. The O(8)-I(1) bond length is 1.81 Å. The O(8)-I(3) bond length is 2.58 Å. In the ninth O site, O(9) is bonded in a distorted trigonal non-coplanar geometry to one K(1), one In(1), and one I(2) atom. The O(9)-I(2) bond length is 1.84 Å. There are three inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(3), one O(5), one O(7), and one O(8) atom. In the second I site, I(2) is bonded in a 3-coordinate geometry to one O(1), one O(2), one O(3), and one O(9) atom. In the third I site, I(3) is bonded in a 3-coordinate geometry to one O(4), one O(6), one O(8), and two equivalent O(7) atoms.