Fe4(PO4)7 crystallizes in the trigonal P-3 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(7) atom to form FeO5 square pyramids that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with three equivalent P(1)O4 tetrahedra. The Fe(1)-O(1) bond length is 2.01 Å. The Fe(1)-O(2) bond length is 1.98 Å. The Fe(1)-O(3) bond length is 1.98 Å. The Fe(1)-O(4) bond length is 2.02 Å. The Fe(1)-O(7) bond length is 1.89 Å. In the second Fe site, Fe(2) is bonded to six equivalent O(6) atoms to form FeO6 octahedra that share corners with six equivalent P(2)O4 tetrahedra. All Fe(2)-O(6) bond lengths are 2.02 Å. In the third Fe site, Fe(3) is bonded to six equivalent O(5) atoms to form FeO6 octahedra that share corners with six equivalent P(2)O4 tetrahedra. All Fe(3)-O(5) bond lengths are 1.96 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Fe(1)O5 square pyramids. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.50 Å. The P(1)-O(8) bond length is 1.58 Å. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, and  a cornercorner with one Fe(1)O5 square pyramid. The corner-sharing octahedral tilt angles range from 29-44°. The P(2)-O(4) bond length is 1.52 Å. The P(2)-O(5) bond length is 1.53 Å. The P(2)-O(6) bond length is 1.50 Å. The P(2)-O(9) bond length is 1.58 Å. In the third P site, P(3) is bonded to one O(10) and three equivalent O(7) atoms to form PO4 tetrahedra that share corners with three equivalent Fe(1)O5 square pyramids. The P(3)-O(10) bond length is 1.53 Å. All P(3)-O(7) bond lengths are 1.54 Å. There are ten inequivalent O sites. In the first O site, O(10) is bonded in a single-bond geometry to one P(3) atom. In the second O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(2) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fourth O site, O(3) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the fifth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the sixth O site, O(5) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the seventh O site, O(6) is bonded in a distorted bent 150 degrees geometry to one Fe(2) and one P(2) atom. In the eighth O site, O(7) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the ninth O site, O(8) is bonded in a single-bond geometry to one P(1) atom. In the tenth O site, O(9) is bonded in a single-bond geometry to one P(2) atom. Linkers: 14 [O]P([O])([O])=O. Metal clusters: 8 [Fe]. The MOF has largest included sphere 4.34 A, density 1.99 g/cm3, surface area 2727.27 m2/g, accessible volume 0.15 cm3/g