CaZn2(H5O4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-70°. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) and one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(4) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) atom. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(4) atom. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), one Zn(1), and one H(1) atom. In the second O site, O(4) is bonded in a distorted water-like geometry to one Ca(1), one H(3), and one H(5) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Zn(1), and one H(4) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Zn(1), one H(1), one H(2), and one H(3) atom.
CaZn2(H5O4)2 crystallizes in the monoclinic P2_1/c space group. Ca(1) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form distorted CaO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra. Both Ca(1)-O(1) bond lengths are 2.75 Å. Both Ca(1)-O(3) bond lengths are 2.32 Å. Both Ca(1)-O(4) bond lengths are 2.38 Å. Zn(1) is bonded to one O(2), one O(3), and two equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Ca(1)O6 octahedra and corners with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 38-70°. The Zn(1)-O(2) bond length is 1.98 Å. The Zn(1)-O(3) bond length is 1.97 Å. There is one shorter (2.06 Å) and one longer (2.08 Å) Zn(1)-O(1) bond length. There are five inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(2) and one O(3) atom. The H(1)-O(2) bond length is 1.70 Å. The H(1)-O(3) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.99 Å. In the third H site, H(3) is bonded in a linear geometry to one O(2) and one O(4) atom. The H(3)-O(2) bond length is 1.36 Å. The H(3)-O(4) bond length is 1.10 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(1) atom. The H(4)-O(1) bond length is 0.99 Å. In the fifth H site, H(5) is bonded in a single-bond geometry to one O(4) atom. The H(5)-O(4) bond length is 0.98 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted single-bond geometry to one Ca(1), one Zn(1), and one H(1) atom. In the second O site, O(4) is bonded in a distorted water-like geometry to one Ca(1), one H(3), and one H(5) atom. In the third O site, O(1) is bonded in a distorted single-bond geometry to one Ca(1), two equivalent Zn(1), and one H(4) atom. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Zn(1), one H(1), one H(2), and one H(3) atom.