Mo4Co3(PO7)4 crystallizes in the tetragonal I4_1/a space group. Mo(1) is bonded to one O(2), one O(3), one O(5), one O(6), and two equivalent O(4) atoms to form distorted MoO6 octahedra that share corners with two equivalent Mo(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-43°. The Mo(1)-O(2) bond length is 2.10 Å. The Mo(1)-O(3) bond length is 1.76 Å. The Mo(1)-O(5) bond length is 2.12 Å. The Mo(1)-O(6) bond length is 1.75 Å. There is one shorter (1.80 Å) and one longer (2.21 Å) Mo(1)-O(4) bond length. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to four equivalent O(1) atoms to form CoO4 tetrahedra that share corners with four equivalent P(1)O4 tetrahedra. All Co(1)-O(1) bond lengths are 1.93 Å. In the second Co site, Co(2) is bonded to two equivalent O(3), two equivalent O(6), and two equivalent O(7) atoms to form CoO6 octahedra that share corners with four equivalent Mo(1)O6 octahedra and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 34-43°. Both Co(2)-O(3) bond lengths are 2.07 Å. Both Co(2)-O(6) bond lengths are 2.09 Å. Both Co(2)-O(7) bond lengths are 2.08 Å. P(1) is bonded to one O(1), one O(2), one O(5), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Co(2)O6 octahedra, corners with two equivalent Mo(1)O6 octahedra, and  a cornercorner with one Co(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-56°. The P(1)-O(1) bond length is 1.52 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(5) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.53 Å. There are seven 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(1) atom. In the second O site, O(2) is bonded in a distorted bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mo(1) and one Co(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to two equivalent Mo(1) atoms. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Mo(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Mo(1) and one Co(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Co(2) and one P(1) atom. Linkers: 16 [O]P([O])([O])=O. Metal clusters: 12 [Co] ,16 [Mo]. The MOF has largest included sphere 3.98 A, density 2.40 g/cm3, surface area 1801.14 m2/g, accessible volume 0.17 cm3/g