ZnH4(O4I)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in an octahedral geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. In the second Zn site, Zn(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(6) and one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) and one O(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(2) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Zn(2) and one I(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(1) and one I(2) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zn(2), one H(3), and one I(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(1) and one I(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Zn(1), one H(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Zn(2), one H(1), and one H(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one H(2) and one I(1) atom. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(8) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom.
ZnH4(O4I)2 crystallizes in the triclinic P-1 space group. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in an octahedral geometry to two equivalent O(3), two equivalent O(5), and two equivalent O(6) atoms. Both Zn(1)-O(3) bond lengths are 2.08 Å. Both Zn(1)-O(5) bond lengths are 2.21 Å. Both Zn(1)-O(6) bond lengths are 2.12 Å. In the second Zn site, Zn(2) is bonded in an octahedral geometry to two equivalent O(2), two equivalent O(4), and two equivalent O(7) atoms. Both Zn(2)-O(2) bond lengths are 2.10 Å. Both Zn(2)-O(4) bond lengths are 2.14 Å. Both Zn(2)-O(7) bond lengths are 2.13 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. The H(1)-O(7) bond length is 0.99 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(6) and one O(8) atom. The H(2)-O(6) bond length is 1.01 Å. The H(2)-O(8) bond length is 1.67 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(4) and one O(7) atom. The H(3)-O(4) bond length is 1.74 Å. The H(3)-O(7) bond length is 1.00 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. The H(4)-O(6) bond length is 0.99 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a single-bond geometry to one I(2) atom. The O(1)-I(2) bond length is 1.82 Å. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Zn(2) and one I(2) atom. The O(2)-I(2) bond length is 1.86 Å. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(1) and one I(2) atom. The O(3)-I(2) bond length is 1.83 Å. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Zn(2), one H(3), and one I(1) atom. The O(4)-I(1) bond length is 1.85 Å. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Zn(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 in a distorted trigonal non-coplanar geometry to one Zn(1), one H(2), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted water-like geometry to one Zn(2), one H(1), and one H(3) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one H(2) and one I(1) atom. The O(8)-I(1) bond length is 1.83 Å. There are two inequivalent I sites. In the first I site, I(1) is bonded in a 3-coordinate geometry to one O(4), one O(5), and one O(8) atom. In the second I site, I(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(3) atom.