Zn3P3HO12 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Zn sites. In the first Zn site, Zn(1) is bonded in a trigonal non-coplanar geometry to one O(4), one O(5), and one O(9) atom. The Zn(1)-O(4) bond length is 1.92 Å. The Zn(1)-O(5) bond length is 1.94 Å. The Zn(1)-O(9) bond length is 1.95 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(6), one O(7), and one O(8) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and  a cornercorner with one P(1)O4 trigonal pyramid. The Zn(2)-O(1) bond length is 1.95 Å. The Zn(2)-O(6) bond length is 1.94 Å. The Zn(2)-O(7) bond length is 1.95 Å. The Zn(2)-O(8) bond length is 1.94 Å. In the third Zn site, Zn(3) is bonded to one O(11), one O(12), one O(2), and one O(3) atom to form ZnO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 trigonal pyramids. The Zn(3)-O(11) bond length is 1.94 Å. The Zn(3)-O(12) bond length is 1.95 Å. The Zn(3)-O(2) bond length is 1.97 Å. The Zn(3)-O(3) bond length is 1.90 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(12), one O(3), one O(5), and one O(7) atom to form PO4 trigonal pyramids that share  a cornercorner with one Zn(2)O4 tetrahedra and corners with two equivalent Zn(3)O4 tetrahedra. The P(1)-O(12) bond length is 1.99 Å. The P(1)-O(3) bond length is 1.34 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.42 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(3)O4 tetrahedra and corners with two equivalent Zn(2)O4 tetrahedra. The P(2)-O(1) bond length is 1.54 Å. The P(2)-O(2) bond length is 1.58 Å. The P(2)-O(4) bond length is 1.52 Å. The P(2)-O(6) bond length is 1.50 Å. In the third P site, P(3) is bonded to one O(10), one O(11), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Zn(2)O4 tetrahedra and  a cornercorner with one Zn(3)O4 tetrahedra. The P(3)-O(10) bond length is 1.56 Å. The P(3)-O(11) bond length is 1.51 Å. The P(3)-O(8) bond length is 1.50 Å. The P(3)-O(9) bond length is 1.53 Å. H(1) is bonded in a distorted single-bond geometry to one O(10) and one O(5) atom. The H(1)-O(10) bond length is 0.90 Å. The H(1)-O(5) bond length is 1.68 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one Zn(2) and one P(2) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Zn(3) and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Zn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Zn(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Zn(1), one P(1), and one H(1) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 120 degrees geometry to one Zn(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one P(3) and one H(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Zn(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Zn(3) and one P(1) atom. Linkers: 4 [O]P([O])(=O)O ,8 [O]P([O])([O])=O. Metal clusters: 12 [Zn]. The MOF has largest included sphere 4.21 A, density 2.03 g/cm3, surface area 2748.99 m2/g, accessible volume 0.22 cm3/g