FePO4 crystallizes in the trigonal P31c space group. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(6) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids. In the second P site, P(2) is bonded to one O(4) and three equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids. In the third P site, P(3) is bonded to one O(5) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one P(1) atom.
FePO4 crystallizes in the trigonal P31c space group. Fe(1) is bonded to one O(1), one O(2), one O(3), one O(4), and one O(6) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and edges with two equivalent Fe(1)O5 trigonal bipyramids. The Fe(1)-O(1) bond length is 1.85 Å. The Fe(1)-O(2) bond length is 1.91 Å. The Fe(1)-O(3) bond length is 1.91 Å. The Fe(1)-O(4) bond length is 2.28 Å. The Fe(1)-O(6) bond length is 2.22 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(6) and three equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids. The P(1)-O(6) bond length is 1.62 Å. All P(1)-O(2) bond lengths are 1.53 Å. In the second P site, P(2) is bonded to one O(4) and three equivalent O(3) atoms to form PO4 tetrahedra that share corners with six equivalent Fe(1)O5 trigonal bipyramids. The P(2)-O(4) bond length is 1.63 Å. All P(2)-O(3) bond lengths are 1.53 Å. In the third P site, P(3) is bonded to one O(5) and three equivalent O(1) atoms to form PO4 tetrahedra that share corners with three equivalent Fe(1)O5 trigonal bipyramids. The P(3)-O(5) bond length is 1.48 Å. All P(3)-O(1) bond lengths are 1.59 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(1) and one P(1) atom. In the third O site, O(3) is bonded in a distorted bent 150 degrees geometry to one Fe(1) and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Fe(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(3) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Fe(1) and one P(1) atom.