ZnSn2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(9) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(5)O6 octahedra, corners with three equivalent Sn(5)O6 octahedra, and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(3)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with six equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. In the third Zn site, Zn(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Sn(4)O4 tetrahedra, edges with three equivalent Sn(1)O6 octahedra, and edges with three equivalent Sn(2)O6 octahedra. In the fourth Zn site, Zn(4) is bonded to one O(5) and three equivalent O(7) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sn(2)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra, and corners with six equivalent Sn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. In the fifth Zn site, Zn(5) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form ZnO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Sn(6)O4 tetrahedra, edges with three equivalent Sn(1)O6 octahedra, and edges with three equivalent Sn(5)O6 octahedra. In the sixth Zn site, Zn(6) is bonded to one O(12) and three equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sn(3)O6 octahedra, corners with three equivalent Sn(5)O6 octahedra, and corners with six equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form SnO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Sn(6)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Sn(4)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. In the second Sn site, Sn(2) is bonded to one O(10), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form SnO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra,  a cornercorner with one Sn(4)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra,  an edgeedge with one Sn(3)O6 octahedra, and edges with four equivalent Sn(2)O6 octahedra. In the third Sn site, Sn(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form SnO6 octahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra, edges with three equivalent Sn(2)O6 octahedra, and edges with three equivalent Sn(5)O6 octahedra. In the fourth Sn site, Sn(4) is bonded to one O(10) and three equivalent O(4) atoms to form SnO4 tetrahedra that share corners with three equivalent Zn(3)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra, and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-65°. In the fifth Sn site, Sn(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(7) atoms to form SnO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra, corners with two equivalent Sn(6)O4 tetrahedra,  an edgeedge with one Zn(5)O6 octahedra,  an edgeedge with one Sn(3)O6 octahedra, and edges with four equivalent Sn(5)O6 octahedra. In the sixth Sn site, Sn(6) is bonded to one O(6) and three equivalent O(11) atoms to form SnO4 tetrahedra that share corners with three equivalent Zn(5)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with six equivalent Sn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Zn(1), one Zn(5), and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Zn(2) and three equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Zn(2), one Zn(3), and two equivalent Sn(2) atoms. In the fourth O site, O(4) is bonded to one Zn(3), one Sn(4), and two equivalent Sn(1) atoms to form OZnSn3 tetrahedra that share  a cornercorner with one O(10)Sn4 tetrahedra, corners with two equivalent O(4)ZnSn3 tetrahedra,  an edgeedge with one O(6)Sn4 tetrahedra, and edges with two equivalent O(4)ZnSn3 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Zn(4) and three equivalent Sn(2) atoms. In the sixth O site, O(6) is bonded to one Sn(6) and three equivalent Sn(1) atoms to form a mixture of corner and edge-sharing OSn4 tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Zn(4), one Sn(3), and two equivalent Sn(5) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Zn(6), one Sn(3), and two equivalent Sn(2) atoms. In the ninth O site, O(9) is bonded to one Zn(1) and three equivalent Sn(5) atoms to form distorted corner-sharing OZnSn3 trigonal pyramids. In the tenth O site, O(10) is bonded to one Sn(4) and three equivalent Sn(2) atoms to form corner-sharing OSn4 tetrahedra. In the eleventh O site, O(11) is bonded to one Zn(5), one Sn(6), and two equivalent Sn(5) atoms to form OZnSn3 tetrahedra that share  a cornercorner with one O(6)Sn4 tetrahedra, corners with two equivalent O(11)ZnSn3 tetrahedra, corners with two equivalent O(9)ZnSn3 trigonal pyramids, and edges with two equivalent O(11)ZnSn3 tetrahedra. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Zn(6) and three equivalent Sn(5) atoms.
ZnSn2O4 is Spinel-like structured and crystallizes in the trigonal P3m1 space group. There are six inequivalent Zn sites. In the first Zn site, Zn(1) is bonded to one O(9) and three equivalent O(1) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(5)O6 octahedra, corners with three equivalent Sn(5)O6 octahedra, and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-58°. The Zn(1)-O(9) bond length is 2.17 Å. All Zn(1)-O(1) bond lengths are 2.15 Å. In the second Zn site, Zn(2) is bonded to one O(2) and three equivalent O(3) atoms to form ZnO4 tetrahedra that share corners with three equivalent Zn(3)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with six equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-59°. The Zn(2)-O(2) bond length is 2.20 Å. All Zn(2)-O(3) bond lengths are 2.16 Å. In the third Zn site, Zn(3) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form ZnO6 octahedra that share corners with three equivalent Zn(2)O4 tetrahedra, corners with three equivalent Sn(4)O4 tetrahedra, edges with three equivalent Sn(1)O6 octahedra, and edges with three equivalent Sn(2)O6 octahedra. All Zn(3)-O(3) bond lengths are 2.23 Å. All Zn(3)-O(4) bond lengths are 2.20 Å. In the fourth Zn site, Zn(4) is bonded to one O(5) and three equivalent O(7) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sn(2)O6 octahedra, corners with three equivalent Sn(3)O6 octahedra, and corners with six equivalent Sn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. The Zn(4)-O(5) bond length is 2.12 Å. All Zn(4)-O(7) bond lengths are 2.07 Å. In the fifth Zn site, Zn(5) is bonded to three equivalent O(1) and three equivalent O(11) atoms to form ZnO6 octahedra that share corners with three equivalent Zn(1)O4 tetrahedra, corners with three equivalent Sn(6)O4 tetrahedra, edges with three equivalent Sn(1)O6 octahedra, and edges with three equivalent Sn(5)O6 octahedra. All Zn(5)-O(1) bond lengths are 2.27 Å. All Zn(5)-O(11) bond lengths are 2.15 Å. In the sixth Zn site, Zn(6) is bonded to one O(12) and three equivalent O(8) atoms to form ZnO4 tetrahedra that share corners with three equivalent Sn(3)O6 octahedra, corners with three equivalent Sn(5)O6 octahedra, and corners with six equivalent Sn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 55-62°. The Zn(6)-O(12) bond length is 2.19 Å. All Zn(6)-O(8) bond lengths are 2.06 Å. There are six inequivalent Sn sites. In the first Sn site, Sn(1) is bonded to one O(2), one O(6), two equivalent O(1), and two equivalent O(4) atoms to form SnO6 octahedra that share  a cornercorner with one Zn(2)O4 tetrahedra,  a cornercorner with one Sn(6)O4 tetrahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with two equivalent Sn(4)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra,  an edgeedge with one Zn(5)O6 octahedra, and edges with four equivalent Sn(1)O6 octahedra. The Sn(1)-O(2) bond length is 2.27 Å. The Sn(1)-O(6) bond length is 2.19 Å. Both Sn(1)-O(1) bond lengths are 2.22 Å. Both Sn(1)-O(4) bond lengths are 2.15 Å. In the second Sn site, Sn(2) is bonded to one O(10), one O(5), two equivalent O(3), and two equivalent O(8) atoms to form SnO6 octahedra that share  a cornercorner with one Zn(4)O4 tetrahedra,  a cornercorner with one Sn(4)O4 tetrahedra, corners with two equivalent Zn(2)O4 tetrahedra, corners with two equivalent Zn(6)O4 tetrahedra,  an edgeedge with one Zn(3)O6 octahedra,  an edgeedge with one Sn(3)O6 octahedra, and edges with four equivalent Sn(2)O6 octahedra. The Sn(2)-O(10) bond length is 2.16 Å. The Sn(2)-O(5) bond length is 2.27 Å. Both Sn(2)-O(3) bond lengths are 2.22 Å. Both Sn(2)-O(8) bond lengths are 2.22 Å. In the third Sn site, Sn(3) is bonded to three equivalent O(7) and three equivalent O(8) atoms to form SnO6 octahedra that share corners with three equivalent Zn(4)O4 tetrahedra, corners with three equivalent Zn(6)O4 tetrahedra, edges with three equivalent Sn(2)O6 octahedra, and edges with three equivalent Sn(5)O6 octahedra. All Sn(3)-O(7) bond lengths are 2.54 Å. All Sn(3)-O(8) bond lengths are 2.46 Å. In the fourth Sn site, Sn(4) is bonded to one O(10) and three equivalent O(4) atoms to form SnO4 tetrahedra that share corners with three equivalent Zn(3)O6 octahedra, corners with three equivalent Sn(2)O6 octahedra, and corners with six equivalent Sn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-65°. The Sn(4)-O(10) bond length is 2.45 Å. All Sn(4)-O(4) bond lengths are 2.33 Å. In the fifth Sn site, Sn(5) is bonded to one O(12), one O(9), two equivalent O(11), and two equivalent O(7) atoms to form SnO6 octahedra that share  a cornercorner with one Zn(1)O4 tetrahedra,  a cornercorner with one Zn(6)O4 tetrahedra, corners with two equivalent Zn(4)O4 tetrahedra, corners with two equivalent Sn(6)O4 tetrahedra,  an edgeedge with one Zn(5)O6 octahedra,  an edgeedge with one Sn(3)O6 octahedra, and edges with four equivalent Sn(5)O6 octahedra. The Sn(5)-O(12) bond length is 2.27 Å. The Sn(5)-O(9) bond length is 2.28 Å. Both Sn(5)-O(11) bond lengths are 2.14 Å. Both Sn(5)-O(7) bond lengths are 2.19 Å. In the sixth Sn site, Sn(6) is bonded to one O(6) and three equivalent O(11) atoms to form SnO4 tetrahedra that share corners with three equivalent Zn(5)O6 octahedra, corners with three equivalent Sn(1)O6 octahedra, and corners with six equivalent Sn(5)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-64°. The Sn(6)-O(6) bond length is 2.41 Å. All Sn(6)-O(11) bond lengths are 2.33 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted rectangular see-saw-like geometry to one Zn(1), one Zn(5), and two equivalent Sn(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Zn(2) and three equivalent Sn(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Zn(2), one Zn(3), and two equivalent Sn(2) atoms. In the fourth O site, O(4) is bonded to one Zn(3), one Sn(4), and two equivalent Sn(1) atoms to form OZnSn3 tetrahedra that share  a cornercorner with one O(10)Sn4 tetrahedra, corners with two equivalent O(4)ZnSn3 tetrahedra,  an edgeedge with one O(6)Sn4 tetrahedra, and edges with two equivalent O(4)ZnSn3 tetrahedra. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Zn(4) and three equivalent Sn(2) atoms. In the sixth O site, O(6) is bonded to one Sn(6) and three equivalent Sn(1) atoms to form a mixture of corner and edge-sharing OSn4 tetrahedra. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Zn(4), one Sn(3), and two equivalent Sn(5) atoms. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Zn(6), one Sn(3), and two equivalent Sn(2) atoms. In the ninth O site, O(9) is bonded to one Zn(1) and three equivalent Sn(5) atoms to form distorted corner-sharing OZnSn3 trigonal pyramids. In the tenth O site, O(10) is bonded to one Sn(4) and three equivalent Sn(2) atoms to form corner-sharing OSn4 tetrahedra. In the eleventh O site, O(11) is bonded to one Zn(5), one Sn(6), and two equivalent Sn(5) atoms to form OZnSn3 tetrahedra that share  a cornercorner with one O(6)Sn4 tetrahedra, corners with two equivalent O(11)ZnSn3 tetrahedra, corners with two equivalent O(9)ZnSn3 trigonal pyramids, and edges with two equivalent O(11)ZnSn3 tetrahedra. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Zn(6) and three equivalent Sn(5) atoms.