Zr(O4Cl)4 is Indium-like structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four Zr(O4Cl)4 clusters. Zr(1) is bonded to one O(1), one O(10), one O(12), one O(16), one O(2), one O(6), one O(8), and one O(9) atom to form distorted ZrO8 hexagonal bipyramids that share edges with two equivalent Cl(1,2)O4 tetrahedra and edges with two equivalent Cl(3,4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Zr(1) and one Cl(1,2) atom. In the second O site, O(2) is bonded in a water-like geometry to one Zr(1) and one Cl(3,4) atom. In the third O site, O(3) is bonded in a single-bond geometry to one Cl(1,2) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cl(1,2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cl(1,2) atom. In the sixth O site, O(6) is bonded in a water-like geometry to one Zr(1) and one Cl(3,4) atom. In the seventh O site, O(7) is bonded in a single-bond geometry to one Cl(1,2) atom. In the eighth O site, O(8) is bonded in a water-like geometry to one Zr(1) and one Cl(3,4) atom. In the ninth O site, O(9) is bonded in a water-like geometry to one Zr(1) and one Cl(1,2) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Zr(1) and one Cl(3,4) atom. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Cl(3,4) atom. In the twelfth O site, O(12) is bonded in a water-like geometry to one Zr(1) and one Cl(1,2) atom. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Cl(3,4) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Cl(3,4) atom. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Cl(3,4) atom. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Zr(1) and one Cl(1,2) atom. There are two inequivalent Cl sites. In the first Cl site, Cl(1,2) is bonded to one O(1), one O(4), one O(5), and one O(9) atom to form ClO4 tetrahedra that share  an edgeedge with one Zr(1)O8 hexagonal bipyramid. In the second Cl site, Cl(3,4) is bonded to one O(10), one O(14), one O(15), and one O(6) atom to form ClO4 tetrahedra that share  an edgeedge with one Zr(1)O8 hexagonal bipyramid.
Zr(O4Cl)4 is Indium-like structured and crystallizes in the monoclinic Cc space group. The structure is zero-dimensional and consists of four Zr(O4Cl)4 clusters. Zr(1) is bonded to one O(1), one O(10), one O(12), one O(16), one O(2), one O(6), one O(8), and one O(9) atom to form distorted ZrO8 hexagonal bipyramids that share edges with two equivalent Cl(1,2)O4 tetrahedra and edges with two equivalent Cl(3,4)O4 tetrahedra. The Zr(1)-O(1) bond length is 2.20 Å. The Zr(1)-O(10) bond length is 2.20 Å. The Zr(1)-O(12) bond length is 2.20 Å. The Zr(1)-O(16) bond length is 2.21 Å. The Zr(1)-O(2) bond length is 2.20 Å. The Zr(1)-O(6) bond length is 2.20 Å. The Zr(1)-O(8) bond length is 2.20 Å. The Zr(1)-O(9) bond length is 2.21 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a water-like geometry to one Zr(1) and one Cl(1,2) atom. The O(1)-Cl(1,2) bond length is 1.52 Å. In the second O site, O(2) is bonded in a water-like geometry to one Zr(1) and one Cl(3,4) atom. The O(2)-Cl(3,4) bond length is 1.52 Å. In the third O site, O(3) is bonded in a single-bond geometry to one Cl(1,2) atom. The O(3)-Cl(1,2) bond length is 1.40 Å. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cl(1,2) atom. The O(4)-Cl(1,2) bond length is 1.40 Å. In the fifth O site, O(5) is bonded in a single-bond geometry to one Cl(1,2) atom. The O(5)-Cl(1,2) bond length is 1.40 Å. In the sixth O site, O(6) is bonded in a water-like geometry to one Zr(1) and one Cl(3,4) atom. The O(6)-Cl(3,4) bond length is 1.52 Å. In the seventh O site, O(7) is bonded in a single-bond geometry to one Cl(1,2) atom. The O(7)-Cl(1,2) bond length is 1.40 Å. In the eighth O site, O(8) is bonded in a water-like geometry to one Zr(1) and one Cl(3,4) atom. The O(8)-Cl(3,4) bond length is 1.51 Å. In the ninth O site, O(9) is bonded in a water-like geometry to one Zr(1) and one Cl(1,2) atom. The O(9)-Cl(1,2) bond length is 1.51 Å. In the tenth O site, O(10) is bonded in a water-like geometry to one Zr(1) and one Cl(3,4) atom. The O(10)-Cl(3,4) bond length is 1.51 Å. In the eleventh O site, O(11) is bonded in a single-bond geometry to one Cl(3,4) atom. The O(11)-Cl(3,4) bond length is 1.40 Å. In the twelfth O site, O(12) is bonded in a water-like geometry to one Zr(1) and one Cl(1,2) atom. The O(12)-Cl(1,2) bond length is 1.52 Å. In the thirteenth O site, O(13) is bonded in a single-bond geometry to one Cl(3,4) atom. The O(13)-Cl(3,4) bond length is 1.40 Å. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Cl(3,4) atom. The O(14)-Cl(3,4) bond length is 1.40 Å. In the fifteenth O site, O(15) is bonded in a single-bond geometry to one Cl(3,4) atom. The O(15)-Cl(3,4) bond length is 1.40 Å. In the sixteenth O site, O(16) is bonded in a water-like geometry to one Zr(1) and one Cl(1,2) atom. The O(16)-Cl(1,2) bond length is 1.51 Å. There are two inequivalent Cl sites. In the first Cl site, Cl(1,2) is bonded to one O(1), one O(4), one O(5), and one O(9) atom to form ClO4 tetrahedra that share  an edgeedge with one Zr(1)O8 hexagonal bipyramid. In the second Cl site, Cl(3,4) is bonded to one O(10), one O(14), one O(15), and one O(6) atom to form ClO4 tetrahedra that share  an edgeedge with one Zr(1)O8 hexagonal bipyramid.