Fe3(PO4)3F2 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(11), one O(3), one O(8), one F(1), and one F(2) atom to form FeO4F2 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Fe(2)O4F trigonal bipyramid, and  a cornercorner with one Fe(3)O4F trigonal bipyramid. The Fe(1)-O(1) bond length is 1.99 Å. The Fe(1)-O(11) bond length is 1.98 Å. The Fe(1)-O(3) bond length is 2.00 Å. The Fe(1)-O(8) bond length is 1.96 Å. The Fe(1)-F(1) bond length is 2.01 Å. The Fe(1)-F(2) bond length is 2.01 Å. In the second Fe site, Fe(2) is bonded to one O(10), one O(12), one O(2), one O(9), and one F(1) atom to form FeO4F trigonal bipyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 57°. The Fe(2)-O(10) bond length is 2.00 Å. The Fe(2)-O(12) bond length is 1.87 Å. The Fe(2)-O(2) bond length is 1.91 Å. The Fe(2)-O(9) bond length is 1.90 Å. The Fe(2)-F(1) bond length is 2.05 Å. In the third Fe site, Fe(3) is bonded to one O(4), one O(5), one O(6), one O(7), and one F(2) atom to form FeO4F trigonal bipyramids that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. The Fe(3)-O(4) bond length is 1.96 Å. The Fe(3)-O(5) bond length is 1.92 Å. The Fe(3)-O(6) bond length is 1.92 Å. The Fe(3)-O(7) bond length is 1.92 Å. The Fe(3)-F(2) bond length is 2.05 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(10), one O(12), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(3)O4F trigonal bipyramid, and corners with two equivalent Fe(2)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles are 49°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(10) bond length is 1.54 Å. The P(1)-O(12) bond length is 1.54 Å. The P(1)-O(7) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(11), one O(2), one O(3), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F trigonal bipyramid, and  a cornercorner with one Fe(3)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 47-49°. The P(2)-O(11) bond length is 1.54 Å. The P(2)-O(2) bond length is 1.56 Å. The P(2)-O(3) bond length is 1.53 Å. The P(2)-O(6) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(4), one O(5), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O4F2 octahedra,  a cornercorner with one Fe(2)O4F trigonal bipyramid, and corners with two equivalent Fe(3)O4F trigonal bipyramids. The corner-sharing octahedral tilt angles are 46°. The P(3)-O(4) bond length is 1.54 Å. The P(3)-O(5) bond length is 1.55 Å. The P(3)-O(8) bond length is 1.54 Å. The P(3)-O(9) bond length is 1.56 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Fe(2) and one P(2) atom. In the third O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(3) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a distorted bent 150 degrees geometry to one Fe(3) and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted bent 120 degrees geometry to one Fe(1) and one P(3) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Fe(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to one Fe(2) and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Fe(1) and one P(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Fe(2) and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(2) atom. In the second F site, F(2) is bonded in a bent 120 degrees geometry to one Fe(1) and one Fe(3) atom. Linkers: 12 [O]P([O])([O])=O. Metal clusters: 12 [Fe]. The MOF has largest included sphere 3.97 A, density 2.10 g/cm3, surface area 2129.14 m2/g, accessible volume 0.21 cm3/g