Ca2ZnP2(H2O5)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(4) and one O(5) atom. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one P(1), one H(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(1), one Zn(1), one H(1), and one H(2) atom.
Ca2ZnP2(H2O5)2 crystallizes in the triclinic P-1 space group. Ca(1) is bonded in a 8-coordinate geometry to one O(4), one O(5), two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms. The Ca(1)-O(4) bond length is 2.41 Å. The Ca(1)-O(5) bond length is 2.43 Å. There is one shorter (2.55 Å) and one longer (2.61 Å) Ca(1)-O(1) bond length. There is one shorter (2.60 Å) and one longer (2.67 Å) Ca(1)-O(2) bond length. There is one shorter (2.42 Å) and one longer (2.52 Å) Ca(1)-O(3) bond length. Zn(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form ZnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra. Both Zn(1)-O(1) bond lengths are 2.20 Å. Both Zn(1)-O(2) bond lengths are 2.19 Å. Both Zn(1)-O(5) bond lengths are 2.02 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-55°. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.57 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(4) and one O(5) atom. The H(1)-O(4) bond length is 1.54 Å. The H(1)-O(5) bond length is 1.02 Å. In the second H site, H(2) is bonded in a distorted single-bond geometry to one O(4) and one O(5) atom. The H(2)-O(4) bond length is 1.60 Å. The H(2)-O(5) bond length is 1.01 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Ca(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Ca(1) and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Ca(1), one P(1), one H(1), and one H(2) atom. In the fifth O site, O(5) is bonded in a distorted water-like geometry to one Ca(1), one Zn(1), one H(1), and one H(2) atom.