CoPO4 crystallizes in the orthorhombic P2_12_12_1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(4), and one O(7) atom. The Co(1)-O(1) bond length is 1.93 Å. The Co(1)-O(2) bond length is 2.00 Å. The Co(1)-O(3) bond length is 1.99 Å. The Co(1)-O(4) bond length is 2.02 Å. The Co(1)-O(7) bond length is 2.47 Å. In the second Co site, Co(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form CoO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Co(2)-O(5) bond length is 1.93 Å. The Co(2)-O(6) bond length is 1.95 Å. The Co(2)-O(7) bond length is 1.96 Å. The Co(2)-O(8) bond length is 1.96 Å. In the third Co site, Co(3) is bonded to one O(10), one O(11), one O(12), and one O(9) atom to form CoO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Co(3)-O(10) bond length is 1.96 Å. The Co(3)-O(11) bond length is 1.95 Å. The Co(3)-O(12) bond length is 1.97 Å. The Co(3)-O(9) bond length is 1.91 Å. In the fourth Co site, Co(4) is bonded to one O(13), one O(14), one O(15), and one O(16) atom to form distorted CoO4 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(4)O4 tetrahedra. The Co(4)-O(13) bond length is 1.93 Å. The Co(4)-O(14) bond length is 2.00 Å. The Co(4)-O(15) bond length is 1.93 Å. The Co(4)-O(16) bond length is 1.99 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(6), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O4 tetrahedra and corners with two equivalent Co(2)O4 tetrahedra. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(6) bond length is 1.53 Å. The P(1)-O(8) bond length is 1.54 Å. The P(1)-O(9) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(10), one O(11), one O(15), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra,  a cornercorner with one Co(4)O4 tetrahedra, and corners with two equivalent Co(3)O4 tetrahedra. The P(2)-O(10) bond length is 1.53 Å. The P(2)-O(11) bond length is 1.52 Å. The P(2)-O(15) bond length is 1.53 Å. The P(2)-O(5) bond length is 1.54 Å. In the third P site, P(3) is bonded to one O(1), one O(12), one O(13), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one Co(3)O4 tetrahedra and  a cornercorner with one Co(4)O4 tetrahedra. The P(3)-O(1) bond length is 1.51 Å. The P(3)-O(12) bond length is 1.55 Å. The P(3)-O(13) bond length is 1.52 Å. The P(3)-O(3) bond length is 1.51 Å. In the fourth P site, P(4) is bonded to one O(14), one O(16), one O(4), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O4 tetrahedra and corners with two equivalent Co(4)O4 tetrahedra. The P(4)-O(14) bond length is 1.52 Å. The P(4)-O(16) bond length is 1.54 Å. The P(4)-O(4) bond length is 1.53 Å. The P(4)-O(7) bond length is 1.55 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Co(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Co(1) and one P(3) atom. In the fourth O site, O(4) is bonded in a water-like geometry to one Co(1) and one P(4) atom. In the fifth O site, O(5) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted bent 120 degrees geometry to one Co(2) and one P(1) atom. In the seventh O site, O(7) is bonded in a 2-coordinate geometry to one Co(1), one Co(2), and one P(4) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Co(3) and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Co(3) and one P(2) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Co(3) and one P(2) atom. In the twelfth O site, O(12) is bonded in a bent 120 degrees geometry to one Co(3) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Co(4) and one P(3) atom. In the fourteenth O site, O(14) is bonded in a distorted bent 120 degrees geometry to one Co(4) and one P(4) atom. In the fifteenth O site, O(15) is bonded in a distorted bent 150 degrees geometry to one Co(4) and one P(2) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Co(4) and one P(4) atom. Linkers: 16 [O]P([O])([O])=O. Metal clusters: 16 [Co]. The MOF has largest included sphere 3.93 A, density 2.05 g/cm3, surface area 2364.99 m2/g, accessible volume 0.19 cm3/g