Sb5O7I crystallizes in the monoclinic Pc space group. There are ten inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(6) atom. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(3), and one O(4) atom. In the third Sb site, Sb(3) is bonded in a distorted T-shaped geometry to one O(1), one O(11), and one O(12) atom. In the fourth Sb site, Sb(4) is bonded in a 3-coordinate geometry to one O(13), one O(14), one O(2), and one I(1) atom. In the fifth Sb site, Sb(5) is bonded in a distorted water-like geometry to one O(7), one O(8), and one I(2) atom. In the sixth Sb site, Sb(6) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(2), and one O(9) atom. In the seventh Sb site, Sb(7) is bonded in a distorted T-shaped geometry to one O(11), one O(3), and one O(7) atom. In the eighth Sb site, Sb(8) is bonded in a distorted T-shaped geometry to one O(12), one O(4), and one O(8) atom. In the ninth Sb site, Sb(9) is bonded in a distorted T-shaped geometry to one O(4), one O(5), and one O(9) atom. In the tenth Sb site, Sb(10) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(6), and one I(1) atom. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sb(10) and one Sb(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sb(1), one Sb(4), and one Sb(6) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Sb(2) and one Sb(7) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Sb(2), one Sb(8), and one Sb(9) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one Sb(9) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sb(1) and one Sb(10) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sb(5) and one Sb(7) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Sb(5) and one Sb(8) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Sb(6) and one Sb(9) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Sb(10) and one Sb(6) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Sb(3) and one Sb(7) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sb(3) and one Sb(8) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Sb(2) and one Sb(4) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Sb(2) and one Sb(4) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted L-shaped geometry to one Sb(10) and one Sb(4) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Sb(5) atom.
Sb5O7I crystallizes in the monoclinic Pc space group. There are ten inequivalent Sb sites. In the first Sb site, Sb(1) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(6) atom. The Sb(1)-O(2) bond length is 2.10 Å. The Sb(1)-O(5) bond length is 1.97 Å. The Sb(1)-O(6) bond length is 2.01 Å. In the second Sb site, Sb(2) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(3), and one O(4) atom. The Sb(2)-O(13) bond length is 2.08 Å. The Sb(2)-O(14) bond length is 2.09 Å. The Sb(2)-O(3) bond length is 2.02 Å. The Sb(2)-O(4) bond length is 2.46 Å. In the third Sb site, Sb(3) is bonded in a distorted T-shaped geometry to one O(1), one O(11), and one O(12) atom. The Sb(3)-O(1) bond length is 2.03 Å. The Sb(3)-O(11) bond length is 1.98 Å. The Sb(3)-O(12) bond length is 2.00 Å. In the fourth Sb site, Sb(4) is bonded in a 3-coordinate geometry to one O(13), one O(14), one O(2), and one I(1) atom. The Sb(4)-O(13) bond length is 2.03 Å. The Sb(4)-O(14) bond length is 1.95 Å. The Sb(4)-O(2) bond length is 2.42 Å. The Sb(4)-I(1) bond length is 3.28 Å. In the fifth Sb site, Sb(5) is bonded in a distorted water-like geometry to one O(7), one O(8), and one I(2) atom. The Sb(5)-O(7) bond length is 1.95 Å. The Sb(5)-O(8) bond length is 1.97 Å. The Sb(5)-I(2) bond length is 2.92 Å. In the sixth Sb site, Sb(6) is bonded in a distorted trigonal non-coplanar geometry to one O(10), one O(2), and one O(9) atom. The Sb(6)-O(10) bond length is 1.98 Å. The Sb(6)-O(2) bond length is 2.05 Å. The Sb(6)-O(9) bond length is 2.02 Å. In the seventh Sb site, Sb(7) is bonded in a distorted T-shaped geometry to one O(11), one O(3), and one O(7) atom. The Sb(7)-O(11) bond length is 1.96 Å. The Sb(7)-O(3) bond length is 2.02 Å. The Sb(7)-O(7) bond length is 2.01 Å. In the eighth Sb site, Sb(8) is bonded in a distorted T-shaped geometry to one O(12), one O(4), and one O(8) atom. The Sb(8)-O(12) bond length is 1.98 Å. The Sb(8)-O(4) bond length is 2.06 Å. The Sb(8)-O(8) bond length is 2.00 Å. In the ninth Sb site, Sb(9) is bonded in a distorted T-shaped geometry to one O(4), one O(5), and one O(9) atom. The Sb(9)-O(4) bond length is 2.13 Å. The Sb(9)-O(5) bond length is 1.97 Å. The Sb(9)-O(9) bond length is 2.02 Å. In the tenth Sb site, Sb(10) is bonded in a 3-coordinate geometry to one O(1), one O(10), one O(6), and one I(1) atom. The Sb(10)-O(1) bond length is 2.01 Å. The Sb(10)-O(10) bond length is 1.99 Å. The Sb(10)-O(6) bond length is 2.03 Å. The Sb(10)-I(1) bond length is 3.49 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Sb(10) and one Sb(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Sb(1), one Sb(4), and one Sb(6) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Sb(2) and one Sb(7) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Sb(2), one Sb(8), and one Sb(9) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Sb(1) and one Sb(9) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Sb(1) and one Sb(10) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Sb(5) and one Sb(7) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Sb(5) and one Sb(8) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Sb(6) and one Sb(9) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Sb(10) and one Sb(6) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Sb(3) and one Sb(7) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Sb(3) and one Sb(8) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Sb(2) and one Sb(4) atom. In the fourteenth O site, O(14) is bonded in a water-like geometry to one Sb(2) and one Sb(4) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a distorted L-shaped geometry to one Sb(10) and one Sb(4) atom. In the second I site, I(2) is bonded in a single-bond geometry to one Sb(5) atom.