ZnFe2O4 crystallizes in the monoclinic Pm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(5), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(2)O6 pentagonal pyramid, corners with two equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Fe(3)O6 octahedra, edges with four equivalent Fe(5)O6 octahedra, and  an edgeedge with one Zn(2)O6 pentagonal pyramid. In the second Fe site, Fe(2) is bonded to one O(2), one O(6), two equivalent O(10), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(2)O6 pentagonal pyramid, corners with two equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Fe(4)O6 octahedra, edges with four equivalent Fe(6)O6 octahedra, and  an edgeedge with one Zn(2)O6 pentagonal pyramid. In the third Fe site, Fe(3) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(1)O6 pentagonal pyramid, corners with two equivalent Zn(2)O6 pentagonal pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Fe(5)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. In the fourth Fe site, Fe(4) is bonded to one O(4), one O(8), two equivalent O(10), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(1)O6 pentagonal pyramid, corners with two equivalent Zn(2)O6 pentagonal pyramids, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Fe(6)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Zn(1)O6 pentagonal pyramid, and  an edgeedge with one Zn(2)O6 pentagonal pyramid. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra,  an edgeedge with one Zn(1)O6 pentagonal pyramid, and  an edgeedge with one Zn(2)O6 pentagonal pyramid. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), two equivalent O(10), and two equivalent O(9) atoms to form distorted ZnO6 pentagonal pyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-16°. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), two equivalent O(11), and two equivalent O(12) atoms to form distorted ZnO6 pentagonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. In the third Zn site, Zn(3) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(11), and two equivalent O(12) atoms. In the fourth Zn site, Zn(4) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(10), and two equivalent O(9) atoms. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(5), and one Zn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(6), and one Zn(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(5), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(4), two equivalent Fe(6), and one Zn(1) atom. In the fifth O site, O(5) is bonded to one Fe(1), two equivalent Fe(5), and one Zn(4) atom to form OZnFe3 trigonal pyramids that share corners with two equivalent O(10)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(9)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(6)ZnFe3 trigonal pyramid, corners with two equivalent O(7)ZnFe3 trigonal pyramids, edges with two equivalent O(11)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(9)Zn2Fe3 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Fe(2), two equivalent Fe(6), and one Zn(4) atom to form OZnFe3 trigonal pyramids that share corners with two equivalent O(10)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(9)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(5)ZnFe3 trigonal pyramid, corners with two equivalent O(8)ZnFe3 trigonal pyramids, edges with two equivalent O(10)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(12)Zn2Fe3 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Fe(3), two equivalent Fe(5), and one Zn(3) atom to form OZnFe3 trigonal pyramids that share corners with two equivalent O(11)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(12)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(8)ZnFe3 trigonal pyramid, corners with two equivalent O(5)ZnFe3 trigonal pyramids, edges with two equivalent O(11)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(9)Zn2Fe3 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Fe(4), two equivalent Fe(6), and one Zn(3) atom to form OZnFe3 trigonal pyramids that share corners with two equivalent O(11)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(12)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(7)ZnFe3 trigonal pyramid, corners with two equivalent O(6)ZnFe3 trigonal pyramids, edges with two equivalent O(10)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(12)Zn2Fe3 trigonal bipyramids. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(3), one Fe(5), one Zn(1), and one Zn(4) atom to form OZn2Fe3 trigonal bipyramids that share corners with two equivalent O(10)Zn2Fe3 trigonal bipyramids, corners with three equivalent O(11)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(5)ZnFe3 trigonal pyramid,  a cornercorner with one O(6)ZnFe3 trigonal pyramid,  an edgeedge with one O(10)Zn2Fe3 trigonal bipyramid,  an edgeedge with one O(11)Zn2Fe3 trigonal bipyramid, edges with two equivalent O(9)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(5)ZnFe3 trigonal pyramid, and  an edgeedge with one O(7)ZnFe3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Fe(2), one Fe(4), one Fe(6), one Zn(1), and one Zn(4) atom to form OZn2Fe3 trigonal bipyramids that share corners with two equivalent O(9)Zn2Fe3 trigonal bipyramids, corners with three equivalent O(12)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(5)ZnFe3 trigonal pyramid,  a cornercorner with one O(6)ZnFe3 trigonal pyramid,  an edgeedge with one O(12)Zn2Fe3 trigonal bipyramid,  an edgeedge with one O(9)Zn2Fe3 trigonal bipyramid, edges with two equivalent O(10)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(6)ZnFe3 trigonal pyramid, and  an edgeedge with one O(8)ZnFe3 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Fe(1), one Fe(3), one Fe(5), one Zn(2), and one Zn(3) atom to form OZn2Fe3 trigonal bipyramids that share corners with two equivalent O(12)Zn2Fe3 trigonal bipyramids, corners with three equivalent O(9)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(7)ZnFe3 trigonal pyramid,  a cornercorner with one O(8)ZnFe3 trigonal pyramid,  an edgeedge with one O(12)Zn2Fe3 trigonal bipyramid,  an edgeedge with one O(9)Zn2Fe3 trigonal bipyramid, edges with two equivalent O(11)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(5)ZnFe3 trigonal pyramid, and  an edgeedge with one O(7)ZnFe3 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Fe(2), one Fe(4), one Fe(6), one Zn(2), and one Zn(3) atom to form OZn2Fe3 trigonal bipyramids that share corners with two equivalent O(11)Zn2Fe3 trigonal bipyramids, corners with three equivalent O(10)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(7)ZnFe3 trigonal pyramid,  a cornercorner with one O(8)ZnFe3 trigonal pyramid,  an edgeedge with one O(10)Zn2Fe3 trigonal bipyramid,  an edgeedge with one O(11)Zn2Fe3 trigonal bipyramid, edges with two equivalent O(12)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(6)ZnFe3 trigonal pyramid, and  an edgeedge with one O(8)ZnFe3 trigonal pyramid.
ZnFe2O4 crystallizes in the monoclinic Pm space group. There are six inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(1), one O(5), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(2)O6 pentagonal pyramid, corners with two equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Fe(3)O6 octahedra, edges with four equivalent Fe(5)O6 octahedra, and  an edgeedge with one Zn(2)O6 pentagonal pyramid. The Fe(1)-O(1) bond length is 1.94 Å. The Fe(1)-O(5) bond length is 1.92 Å. Both Fe(1)-O(11) bond lengths are 1.98 Å. Both Fe(1)-O(9) bond lengths are 2.07 Å. In the second Fe site, Fe(2) is bonded to one O(2), one O(6), two equivalent O(10), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(2)O6 pentagonal pyramid, corners with two equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Fe(4)O6 octahedra, edges with four equivalent Fe(6)O6 octahedra, and  an edgeedge with one Zn(2)O6 pentagonal pyramid. The Fe(2)-O(2) bond length is 1.97 Å. The Fe(2)-O(6) bond length is 1.92 Å. Both Fe(2)-O(10) bond lengths are 2.07 Å. Both Fe(2)-O(12) bond lengths are 1.99 Å. In the third Fe site, Fe(3) is bonded to one O(3), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(1)O6 pentagonal pyramid, corners with two equivalent Zn(2)O6 pentagonal pyramids, edges with two equivalent Fe(1)O6 octahedra, edges with four equivalent Fe(5)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. The Fe(3)-O(3) bond length is 1.96 Å. The Fe(3)-O(7) bond length is 1.93 Å. Both Fe(3)-O(11) bond lengths are 2.15 Å. Both Fe(3)-O(9) bond lengths are 2.03 Å. In the fourth Fe site, Fe(4) is bonded to one O(4), one O(8), two equivalent O(10), and two equivalent O(12) atoms to form FeO6 octahedra that share  a cornercorner with one Zn(1)O6 pentagonal pyramid, corners with two equivalent Zn(2)O6 pentagonal pyramids, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Fe(6)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. The Fe(4)-O(4) bond length is 1.97 Å. The Fe(4)-O(8) bond length is 1.94 Å. Both Fe(4)-O(10) bond lengths are 1.98 Å. Both Fe(4)-O(12) bond lengths are 2.07 Å. In the fifth Fe site, Fe(5) is bonded to one O(1), one O(11), one O(3), one O(5), one O(7), and one O(9) atom to form FeO6 octahedra that share edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra,  an edgeedge with one Zn(1)O6 pentagonal pyramid, and  an edgeedge with one Zn(2)O6 pentagonal pyramid. The Fe(5)-O(1) bond length is 1.98 Å. The Fe(5)-O(11) bond length is 2.05 Å. The Fe(5)-O(3) bond length is 2.00 Å. The Fe(5)-O(5) bond length is 2.04 Å. The Fe(5)-O(7) bond length is 2.06 Å. The Fe(5)-O(9) bond length is 2.04 Å. In the sixth Fe site, Fe(6) is bonded to one O(10), one O(12), one O(2), one O(4), one O(6), and one O(8) atom to form FeO6 octahedra that share edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Fe(4)O6 octahedra, edges with two equivalent Fe(6)O6 octahedra,  an edgeedge with one Zn(1)O6 pentagonal pyramid, and  an edgeedge with one Zn(2)O6 pentagonal pyramid. The Fe(6)-O(10) bond length is 2.06 Å. The Fe(6)-O(12) bond length is 2.05 Å. The Fe(6)-O(2) bond length is 1.99 Å. The Fe(6)-O(4) bond length is 1.99 Å. The Fe(6)-O(6) bond length is 2.05 Å. The Fe(6)-O(8) bond length is 2.04 Å. There are four inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(3), one O(4), two equivalent O(10), and two equivalent O(9) atoms to form distorted ZnO6 pentagonal pyramids that share  a cornercorner with one Fe(3)O6 octahedra,  a cornercorner with one Fe(4)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(3)O6 octahedra,  an edgeedge with one Fe(4)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 3-16°. The Zn(1)-O(3) bond length is 2.09 Å. The Zn(1)-O(4) bond length is 2.09 Å. Both Zn(1)-O(10) bond lengths are 2.27 Å. Both Zn(1)-O(9) bond lengths are 2.31 Å. In the second Zn site, Zn(2) is bonded to one O(1), one O(2), two equivalent O(11), and two equivalent O(12) atoms to form distorted ZnO6 pentagonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with two equivalent Fe(4)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Fe(5)O6 octahedra, and edges with two equivalent Fe(6)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-14°. The Zn(2)-O(1) bond length is 2.12 Å. The Zn(2)-O(2) bond length is 2.13 Å. Both Zn(2)-O(11) bond lengths are 2.22 Å. Both Zn(2)-O(12) bond lengths are 2.27 Å. In the third Zn site, Zn(3) is bonded in a 6-coordinate geometry to one O(7), one O(8), two equivalent O(11), and two equivalent O(12) atoms. The Zn(3)-O(7) bond length is 2.06 Å. The Zn(3)-O(8) bond length is 2.04 Å. Both Zn(3)-O(11) bond lengths are 2.29 Å. Both Zn(3)-O(12) bond lengths are 2.29 Å. In the fourth Zn site, Zn(4) is bonded in a 6-coordinate geometry to one O(5), one O(6), two equivalent O(10), and two equivalent O(9) atoms. The Zn(4)-O(5) bond length is 2.09 Å. The Zn(4)-O(6) bond length is 2.06 Å. Both Zn(4)-O(10) bond lengths are 2.27 Å. Both Zn(4)-O(9) bond lengths are 2.22 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Fe(1), two equivalent Fe(5), and one Zn(2) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Fe(2), two equivalent Fe(6), and one Zn(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Fe(3), two equivalent Fe(5), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Fe(4), two equivalent Fe(6), and one Zn(1) atom. In the fifth O site, O(5) is bonded to one Fe(1), two equivalent Fe(5), and one Zn(4) atom to form OZnFe3 trigonal pyramids that share corners with two equivalent O(10)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(9)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(6)ZnFe3 trigonal pyramid, corners with two equivalent O(7)ZnFe3 trigonal pyramids, edges with two equivalent O(11)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(9)Zn2Fe3 trigonal bipyramids. In the sixth O site, O(6) is bonded to one Fe(2), two equivalent Fe(6), and one Zn(4) atom to form OZnFe3 trigonal pyramids that share corners with two equivalent O(10)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(9)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(5)ZnFe3 trigonal pyramid, corners with two equivalent O(8)ZnFe3 trigonal pyramids, edges with two equivalent O(10)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(12)Zn2Fe3 trigonal bipyramids. In the seventh O site, O(7) is bonded to one Fe(3), two equivalent Fe(5), and one Zn(3) atom to form OZnFe3 trigonal pyramids that share corners with two equivalent O(11)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(12)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(8)ZnFe3 trigonal pyramid, corners with two equivalent O(5)ZnFe3 trigonal pyramids, edges with two equivalent O(11)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(9)Zn2Fe3 trigonal bipyramids. In the eighth O site, O(8) is bonded to one Fe(4), two equivalent Fe(6), and one Zn(3) atom to form OZnFe3 trigonal pyramids that share corners with two equivalent O(11)Zn2Fe3 trigonal bipyramids, corners with two equivalent O(12)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(7)ZnFe3 trigonal pyramid, corners with two equivalent O(6)ZnFe3 trigonal pyramids, edges with two equivalent O(10)Zn2Fe3 trigonal bipyramids, and edges with two equivalent O(12)Zn2Fe3 trigonal bipyramids. In the ninth O site, O(9) is bonded to one Fe(1), one Fe(3), one Fe(5), one Zn(1), and one Zn(4) atom to form OZn2Fe3 trigonal bipyramids that share corners with two equivalent O(10)Zn2Fe3 trigonal bipyramids, corners with three equivalent O(11)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(5)ZnFe3 trigonal pyramid,  a cornercorner with one O(6)ZnFe3 trigonal pyramid,  an edgeedge with one O(10)Zn2Fe3 trigonal bipyramid,  an edgeedge with one O(11)Zn2Fe3 trigonal bipyramid, edges with two equivalent O(9)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(5)ZnFe3 trigonal pyramid, and  an edgeedge with one O(7)ZnFe3 trigonal pyramid. In the tenth O site, O(10) is bonded to one Fe(2), one Fe(4), one Fe(6), one Zn(1), and one Zn(4) atom to form OZn2Fe3 trigonal bipyramids that share corners with two equivalent O(9)Zn2Fe3 trigonal bipyramids, corners with three equivalent O(12)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(5)ZnFe3 trigonal pyramid,  a cornercorner with one O(6)ZnFe3 trigonal pyramid,  an edgeedge with one O(12)Zn2Fe3 trigonal bipyramid,  an edgeedge with one O(9)Zn2Fe3 trigonal bipyramid, edges with two equivalent O(10)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(6)ZnFe3 trigonal pyramid, and  an edgeedge with one O(8)ZnFe3 trigonal pyramid. In the eleventh O site, O(11) is bonded to one Fe(1), one Fe(3), one Fe(5), one Zn(2), and one Zn(3) atom to form OZn2Fe3 trigonal bipyramids that share corners with two equivalent O(12)Zn2Fe3 trigonal bipyramids, corners with three equivalent O(9)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(7)ZnFe3 trigonal pyramid,  a cornercorner with one O(8)ZnFe3 trigonal pyramid,  an edgeedge with one O(12)Zn2Fe3 trigonal bipyramid,  an edgeedge with one O(9)Zn2Fe3 trigonal bipyramid, edges with two equivalent O(11)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(5)ZnFe3 trigonal pyramid, and  an edgeedge with one O(7)ZnFe3 trigonal pyramid. In the twelfth O site, O(12) is bonded to one Fe(2), one Fe(4), one Fe(6), one Zn(2), and one Zn(3) atom to form OZn2Fe3 trigonal bipyramids that share corners with two equivalent O(11)Zn2Fe3 trigonal bipyramids, corners with three equivalent O(10)Zn2Fe3 trigonal bipyramids,  a cornercorner with one O(7)ZnFe3 trigonal pyramid,  a cornercorner with one O(8)ZnFe3 trigonal pyramid,  an edgeedge with one O(10)Zn2Fe3 trigonal bipyramid,  an edgeedge with one O(11)Zn2Fe3 trigonal bipyramid, edges with two equivalent O(12)Zn2Fe3 trigonal bipyramids,  an edgeedge with one O(6)ZnFe3 trigonal pyramid, and  an edgeedge with one O(8)ZnFe3 trigonal pyramid.