ZrCu2(O3F2)4 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ZrCu2(O3F2)4 clusters. Zr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form distorted ZrF6 pentagonal pyramids that share corners with two equivalent Cu(1)O4F trigonal bipyramids. Cu(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(1) atom to form distorted CuO4F trigonal bipyramids that share  a cornercorner with one Zr(1)F6 pentagonal pyramid. There are six inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(4) atom. In the second O site, O(1) is bonded in a water-like geometry to one Cu(1) and one F(3) atom. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(4) atom. In the fourth O site, O(3) is bonded in a single-bond geometry to one O(5) atom. In the fifth O site, O(4) is bonded in a bent 120 degrees geometry to one O(2) and one O(6) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(3) atom. There are four inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one Zr(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one O(1) atom. In the third F site, F(4) is bonded in a single-bond geometry to one Zr(1) atom. In the fourth F site, F(1) is bonded in a bent 120 degrees geometry to one Zr(1) and one Cu(1) atom.
ZrCu2(O3F2)4 is Indium-like structured and crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four ZrCu2(O3F2)4 clusters. Zr(1) is bonded to two equivalent F(1), two equivalent F(2), and two equivalent F(4) atoms to form distorted ZrF6 pentagonal pyramids that share corners with two equivalent Cu(1)O4F trigonal bipyramids. Both Zr(1)-F(1) bond lengths are 2.20 Å. Both Zr(1)-F(2) bond lengths are 1.99 Å. Both Zr(1)-F(4) bond lengths are 2.02 Å. Cu(1) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(1) atom to form distorted CuO4F trigonal bipyramids that share  a cornercorner with one Zr(1)F6 pentagonal pyramid. The Cu(1)-O(1) bond length is 1.88 Å. The Cu(1)-O(2) bond length is 1.92 Å. The Cu(1)-O(5) bond length is 2.29 Å. The Cu(1)-O(6) bond length is 2.00 Å. The Cu(1)-F(1) bond length is 2.00 Å. There are six inequivalent O sites. In the first O site, O(6) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(4) atom. The O(6)-O(4) bond length is 1.33 Å. In the second O site, O(1) is bonded in a water-like geometry to one Cu(1) and one F(3) atom. The O(1)-F(3) bond length is 1.41 Å. In the third O site, O(2) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(4) atom. The O(2)-O(4) bond length is 1.32 Å. In the fourth O site, O(3) is bonded in a single-bond geometry to one O(5) atom. The O(3)-O(5) bond length is 1.22 Å. In the fifth O site, O(4) is bonded in a bent 120 degrees geometry to one O(2) and one O(6) atom. In the sixth O site, O(5) is bonded in a bent 120 degrees geometry to one Cu(1) and one O(3) atom. There are four inequivalent F sites. In the first F site, F(2) is bonded in a single-bond geometry to one Zr(1) atom. In the second F site, F(3) is bonded in a single-bond geometry to one O(1) atom. In the third F site, F(4) is bonded in a single-bond geometry to one Zr(1) atom. In the fourth F site, F(1) is bonded in a bent 120 degrees geometry to one Zr(1) and one Cu(1) atom.