Fe2Zn(PO4)2 crystallizes in the monoclinic C2 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(13), one O(4), and one O(5) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Fe(5)O4 trigonal pyramid,  a cornercorner with one Zn(1)O4 trigonal pyramid,  a cornercorner with one Zn(2)O4 trigonal pyramid, and  an edgeedge with one Fe(3)O6 octahedra. In the second Fe site, Fe(2) is bonded to one O(15), one O(2), one O(7), one O(8), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Fe(4)O4 trigonal pyramid,  a cornercorner with one Zn(1)O4 trigonal pyramid,  a cornercorner with one Zn(2)O4 trigonal pyramid, and  an edgeedge with one Fe(3)O6 octahedra. In the third Fe site, Fe(3) is bonded to one O(1), one O(15), one O(3), one O(4), one O(5), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Zn(1)O4 trigonal pyramid,  a cornercorner with one Zn(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. In the fourth Fe site, Fe(4) is bonded to two equivalent O(16) and two equivalent O(9) atoms to form FeO4 trigonal pyramids that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Fe(2)O5 trigonal bipyramids. In the fifth Fe site, Fe(5) is bonded to two equivalent O(13) and two equivalent O(6) atoms to form FeO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(12), one O(14), one O(2), and one O(3) atom to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 71°. In the second Zn site, Zn(2) is bonded to one O(1), one O(10), one O(11), and one O(7) atom to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 71°. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(14), one O(15), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(5)O4 trigonal pyramid, and corners with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 36-60°. In the second P site, P(2) is bonded to one O(12), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  a cornercorner with one Fe(5)O4 trigonal pyramid, and corners with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 21°. In the third P site, P(3) is bonded to one O(1), one O(10), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O4 trigonal pyramid, and corners with two equivalent Zn(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 40-61°. In the fourth P site, P(4) is bonded to one O(11), one O(16), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids,  a cornercorner with one Fe(4)O4 trigonal pyramid, and corners with two equivalent Zn(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 20°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Zn(2), and one P(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(3), 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 Fe(3), 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(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(5) and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(2), one Zn(2), and one P(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(1), one Zn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(1), one Zn(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Fe(4) and one P(4) atom.
Fe2Zn(PO4)2 crystallizes in the monoclinic C2 space group. There are five inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(11), one O(12), one O(13), one O(4), and one O(5) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Fe(5)O4 trigonal pyramid,  a cornercorner with one Zn(1)O4 trigonal pyramid,  a cornercorner with one Zn(2)O4 trigonal pyramid, and  an edgeedge with one Fe(3)O6 octahedra. The Fe(1)-O(11) bond length is 2.07 Å. The Fe(1)-O(12) bond length is 2.14 Å. The Fe(1)-O(13) bond length is 2.11 Å. The Fe(1)-O(4) bond length is 2.17 Å. The Fe(1)-O(5) bond length is 2.17 Å. In the second Fe site, Fe(2) is bonded to one O(15), one O(2), one O(7), one O(8), and one O(9) atom to form FeO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Fe(4)O4 trigonal pyramid,  a cornercorner with one Zn(1)O4 trigonal pyramid,  a cornercorner with one Zn(2)O4 trigonal pyramid, and  an edgeedge with one Fe(3)O6 octahedra. The Fe(2)-O(15) bond length is 2.18 Å. The Fe(2)-O(2) bond length is 2.07 Å. The Fe(2)-O(7) bond length is 2.11 Å. The Fe(2)-O(8) bond length is 2.18 Å. The Fe(2)-O(9) bond length is 2.12 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(15), one O(3), one O(4), one O(5), and one O(8) atom to form distorted FeO6 octahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Zn(1)O4 trigonal pyramid,  a cornercorner with one Zn(2)O4 trigonal pyramid,  an edgeedge with one Fe(1)O5 trigonal bipyramid, and  an edgeedge with one Fe(2)O5 trigonal bipyramid. The Fe(3)-O(1) bond length is 2.12 Å. The Fe(3)-O(15) bond length is 2.09 Å. The Fe(3)-O(3) bond length is 2.11 Å. The Fe(3)-O(4) bond length is 2.54 Å. The Fe(3)-O(5) bond length is 2.09 Å. The Fe(3)-O(8) bond length is 2.38 Å. In the fourth Fe site, Fe(4) is bonded to two equivalent O(16) and two equivalent O(9) atoms to form FeO4 trigonal pyramids that share corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and corners with two equivalent Fe(2)O5 trigonal bipyramids. Both Fe(4)-O(16) bond lengths are 2.00 Å. Both Fe(4)-O(9) bond lengths are 2.03 Å. In the fifth Fe site, Fe(5) is bonded to two equivalent O(13) and two equivalent O(6) atoms to form FeO4 trigonal pyramids that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent Fe(1)O5 trigonal bipyramids. Both Fe(5)-O(13) bond lengths are 2.05 Å. Both Fe(5)-O(6) bond lengths are 2.00 Å. There are two inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(12), one O(14), one O(2), and one O(3) atom to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 71°. The Zn(1)-O(12) bond length is 2.05 Å. The Zn(1)-O(14) bond length is 1.98 Å. The Zn(1)-O(2) bond length is 2.09 Å. The Zn(1)-O(3) bond length is 2.12 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(10), one O(11), and one O(7) atom to form distorted ZnO4 trigonal pyramids that share  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, and  a cornercorner with one Fe(2)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 71°. The Zn(2)-O(1) bond length is 2.12 Å. The Zn(2)-O(10) bond length is 1.98 Å. The Zn(2)-O(11) bond length is 2.08 Å. The Zn(2)-O(7) bond length is 2.05 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(13), one O(14), one O(15), and one O(3) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(5)O4 trigonal pyramid, and corners with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 36-60°. The P(1)-O(13) bond length is 1.57 Å. The P(1)-O(14) bond length is 1.52 Å. The P(1)-O(15) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(12), one O(2), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(2)O5 trigonal bipyramid, corners with two equivalent Fe(1)O5 trigonal bipyramids,  a cornercorner with one Fe(5)O4 trigonal pyramid, and corners with two equivalent Zn(1)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 21°. The P(2)-O(12) bond length is 1.57 Å. The P(2)-O(2) bond length is 1.56 Å. The P(2)-O(4) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.52 Å. In the third P site, P(3) is bonded to one O(1), one O(10), one O(5), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid,  a cornercorner with one Fe(2)O5 trigonal bipyramid,  a cornercorner with one Fe(4)O4 trigonal pyramid, and corners with two equivalent Zn(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles range from 40-61°. The P(3)-O(1) bond length is 1.57 Å. The P(3)-O(10) bond length is 1.53 Å. The P(3)-O(5) bond length is 1.57 Å. The P(3)-O(9) bond length is 1.57 Å. In the fourth P site, P(4) is bonded to one O(11), one O(16), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(1)O5 trigonal bipyramid, corners with two equivalent Fe(2)O5 trigonal bipyramids,  a cornercorner with one Fe(4)O4 trigonal pyramid, and corners with two equivalent Zn(2)O4 trigonal pyramids. The corner-sharing octahedral tilt angles are 20°. The P(4)-O(11) bond length is 1.57 Å. The P(4)-O(16) bond length is 1.52 Å. The P(4)-O(7) bond length is 1.57 Å. The P(4)-O(8) bond length is 1.58 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Fe(3), one Zn(2), and one P(3) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Fe(2), one Zn(1), and one P(2) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Fe(3), 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 Fe(3), 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(3) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Fe(5) and one P(2) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Fe(2), one Zn(2), and one P(4) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(4) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Fe(2), one Fe(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a bent 150 degrees geometry to one Zn(2) and one P(3) atom. In the eleventh O site, O(11) is bonded in a trigonal planar geometry to one Fe(1), one Zn(2), and one P(4) atom. In the twelfth O site, O(12) is bonded in a trigonal planar geometry to one Fe(1), one Zn(1), and one P(2) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Fe(1), one Fe(5), and one P(1) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Zn(1) and one P(1) atom. In the fifteenth O site, O(15) is bonded in a 3-coordinate geometry to one Fe(2), one Fe(3), and one P(1) atom. In the sixteenth O site, O(16) is bonded in a bent 120 degrees geometry to one Fe(4) and one P(4) atom.