Fe5P3O13 crystallizes in the triclinic P-1 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, edges with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(13), one O(3), one O(4), one O(6), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-56°. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(5), one O(7), and one O(9) atom. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(12), one O(6), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(13), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and corners with three equivalent Fe(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-46°. In the second P site, P(2) is bonded to one O(11), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. In the third P site, P(3) is bonded to one O(10), one O(13), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and corners with three equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-54°. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(5), and one P(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Fe(5), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(4), and one P(1) atom. In the seventh O site, O(7) is bonded in a 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 trigonal pyramidal geometry to one Fe(1), one Fe(2), one Fe(4), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Fe(5), and one P(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Fe(4) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(5), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one P(3) atom.
Fe5P3O13 crystallizes in the triclinic P-1 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(3), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, edges with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. The Fe(1)-O(1) bond length is 2.09 Å. The Fe(1)-O(3) bond length is 2.18 Å. The Fe(1)-O(4) bond length is 2.19 Å. The Fe(1)-O(5) bond length is 2.13 Å. The Fe(1)-O(8) bond length is 2.00 Å. The Fe(1)-O(9) bond length is 2.15 Å. In the second Fe site, Fe(2) is bonded to one O(13), one O(3), one O(4), one O(6), and one O(8) atom to form distorted FeO5 trigonal bipyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 52-56°. The Fe(2)-O(13) bond length is 1.99 Å. The Fe(2)-O(3) bond length is 1.99 Å. The Fe(2)-O(4) bond length is 2.40 Å. The Fe(2)-O(6) bond length is 2.06 Å. The Fe(2)-O(8) bond length is 1.93 Å. In the third Fe site, Fe(3) is bonded in a 5-coordinate geometry to one O(11), one O(2), one O(5), one O(7), and one O(9) atom. The Fe(3)-O(11) bond length is 1.90 Å. The Fe(3)-O(2) bond length is 1.90 Å. The Fe(3)-O(5) bond length is 2.55 Å. The Fe(3)-O(7) bond length is 1.93 Å. The Fe(3)-O(9) bond length is 2.45 Å. In the fourth Fe site, Fe(4) is bonded to one O(1), one O(10), one O(12), one O(6), and one O(8) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(5)O6 octahedra, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. The Fe(4)-O(1) bond length is 2.16 Å. The Fe(4)-O(10) bond length is 1.94 Å. The Fe(4)-O(12) bond length is 2.12 Å. The Fe(4)-O(6) bond length is 2.19 Å. The Fe(4)-O(8) bond length is 2.00 Å. In the fifth Fe site, Fe(5) is bonded to one O(12), one O(13), one O(4), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, edges with two equivalent Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O5 trigonal bipyramid, and  an edgeedge with one Fe(4)O5 trigonal bipyramid. The Fe(5)-O(12) bond length is 2.08 Å. The Fe(5)-O(13) bond length is 2.18 Å. The Fe(5)-O(4) bond length is 2.27 Å. The Fe(5)-O(5) bond length is 2.16 Å. The Fe(5)-O(8) bond length is 2.01 Å. The Fe(5)-O(9) bond length is 2.16 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(12), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(5)O6 octahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, and corners with three equivalent Fe(4)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 45-46°. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(12) bond length is 1.57 Å. The P(1)-O(6) bond length is 1.57 Å. The P(1)-O(7) bond length is 1.52 Å. In the second P site, P(2) is bonded to one O(11), one O(2), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra and corners with two equivalent Fe(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-62°. The P(2)-O(11) bond length is 1.52 Å. The P(2)-O(2) bond length is 1.52 Å. The P(2)-O(5) bond length is 1.59 Å. The P(2)-O(9) bond length is 1.59 Å. In the third P site, P(3) is bonded to one O(10), one O(13), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(5)O6 octahedra,  a cornercorner with one Fe(4)O5 trigonal bipyramid, and corners with three equivalent Fe(2)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 49-54°. The P(3)-O(10) bond length is 1.51 Å. The P(3)-O(13) bond length is 1.57 Å. The P(3)-O(3) bond length is 1.57 Å. The P(3)-O(4) bond length is 1.57 Å. There are thirteen inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(4), and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(1), one Fe(2), and one P(3) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Fe(1), one Fe(2), one Fe(5), and one P(3) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Fe(5), and one P(2) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(4), and one P(1) atom. In the seventh O site, O(7) is bonded in a 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 trigonal pyramidal geometry to one Fe(1), one Fe(2), one Fe(4), and one Fe(5) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Fe(1), one Fe(3), one Fe(5), and one P(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Fe(4) and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Fe(3) and one P(2) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to one Fe(4), one Fe(5), and one P(1) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Fe(2), one Fe(5), and one P(3) atom.