Fe5Zn4(P3O14)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(2), one O(3), one O(4), and one O(5) atom to form distorted FeO6 octahedra 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,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. In the second Fe site, Fe(2) is bonded to one O(14), one O(6), one O(8), one O(9), and two equivalent O(12) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. In the third Fe site, Fe(3) is bonded to two equivalent O(10), two equivalent O(13), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Zn(2)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)O6 octahedra. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. In the second Zn site, Zn(2) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  a cornercorner with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 60-67°. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 29-61°. In the second P site, P(2) 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(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-55°. In the third P site, P(3) is bonded to one O(1), one O(11), one O(12), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and  a cornercorner with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-54°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal planar geometry to one Fe(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Zn(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Zn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(3), one Zn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Fe(2) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Fe(1) and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Fe(2) atom.
Fe5Zn4(P3O14)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(13), one O(2), one O(3), one O(4), and one O(5) atom to form distorted FeO6 octahedra 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,  an edgeedge with one Fe(3)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The Fe(1)-O(1) bond length is 1.94 Å. The Fe(1)-O(13) bond length is 1.92 Å. The Fe(1)-O(2) bond length is 1.96 Å. The Fe(1)-O(3) bond length is 2.23 Å. The Fe(1)-O(4) bond length is 2.10 Å. The Fe(1)-O(5) bond length is 2.23 Å. In the second Fe site, Fe(2) is bonded to one O(14), one O(6), one O(8), one O(9), and two equivalent O(12) atoms to form distorted FeO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with three equivalent P(3)O4 tetrahedra,  an edgeedge with one Fe(2)O6 octahedra, and  an edgeedge with one Zn(1)O5 trigonal bipyramid. The Fe(2)-O(14) bond length is 1.64 Å. The Fe(2)-O(6) bond length is 2.06 Å. The Fe(2)-O(8) bond length is 2.24 Å. The Fe(2)-O(9) bond length is 2.10 Å. Both Fe(2)-O(12) bond lengths are 2.06 Å. In the third Fe site, Fe(3) is bonded to two equivalent O(10), two equivalent O(13), and two equivalent O(5) atoms to form FeO6 octahedra that share corners with two equivalent Zn(2)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)O6 octahedra. Both Fe(3)-O(10) bond lengths are 2.18 Å. Both Fe(3)-O(13) bond lengths are 1.77 Å. Both Fe(3)-O(5) bond lengths are 2.16 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), one O(6), one O(7), and one O(8) atom to form ZnO5 trigonal bipyramids that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The Zn(1)-O(3) bond length is 1.98 Å. The Zn(1)-O(4) bond length is 2.26 Å. The Zn(1)-O(6) bond length is 2.04 Å. The Zn(1)-O(7) bond length is 1.99 Å. The Zn(1)-O(8) bond length is 2.05 Å. In the second Zn site, Zn(2) is bonded to one O(10), one O(11), one O(7), and one O(9) atom to form ZnO4 tetrahedra that share  a cornercorner with one Fe(2)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  a cornercorner with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 60-67°. The Zn(2)-O(10) bond length is 1.96 Å. The Zn(2)-O(11) bond length is 1.89 Å. The Zn(2)-O(7) bond length is 2.09 Å. The Zn(2)-O(9) bond length is 2.02 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Zn(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 29-61°. The P(1)-O(10) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.51 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.56 Å. In the second P site, P(2) 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(3)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and corners with two equivalent Zn(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 42-55°. The P(2)-O(4) bond length is 1.56 Å. The P(2)-O(5) bond length is 1.57 Å. The P(2)-O(8) bond length is 1.55 Å. The P(2)-O(9) bond length is 1.57 Å. In the third P site, P(3) is bonded to one O(1), one O(11), one O(12), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  a cornercorner with one Zn(2)O4 tetrahedra, and  a cornercorner with one Zn(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 41-54°. The P(3)-O(1) bond length is 1.53 Å. The P(3)-O(11) bond length is 1.51 Å. The P(3)-O(12) bond length is 1.60 Å. The P(3)-O(6) bond length is 1.60 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a 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 trigonal planar geometry to one Fe(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Fe(1), one Zn(1), and one P(2) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Fe(1), one Fe(3), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Fe(2), one Zn(1), and one P(3) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Zn(1), one Zn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one Zn(1), and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Zn(2), and one P(2) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Fe(3), one Zn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(3) atom. In the twelfth O site, O(12) is bonded in a 3-coordinate geometry to two equivalent Fe(2) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a water-like geometry to one Fe(1) and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a single-bond geometry to one Fe(2) atom.