Ni3Zn2O5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with six equivalent Ni(2)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second Ni site, Ni(2) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Zn(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form ZnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ni(1), two equivalent Ni(2), and three equivalent Zn(1) atoms to form OZn3Ni3 octahedra that share  a cornercorner with one O(2)Zn2Ni4 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with three equivalent O(1)Zn3Ni3 octahedra, edges with three equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(1)Zn3Ni3 octahedra, and edges with six equivalent O(3)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to two equivalent Ni(1), two equivalent Ni(2), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share corners with two equivalent O(2)Zn2Ni4 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with two equivalent O(1)Zn3Ni3 octahedra, edges with six equivalent O(3)Zn2Ni4 octahedra, and edges with six equivalent O(1)Zn3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Ni(1), three equivalent Ni(2), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share  a cornercorner with one O(2)Zn2Ni4 octahedra, corners with two equivalent O(1)Zn3Ni3 octahedra, corners with three equivalent O(3)Zn2Ni4 octahedra, edges with three equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(3)Zn2Ni4 octahedra, and edges with six equivalent O(1)Zn3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.
Ni3Zn2O5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, edges with six equivalent Ni(2)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. Both Ni(1)-O(1) bond lengths are 2.13 Å. Both Ni(1)-O(2) bond lengths are 2.13 Å. Both Ni(1)-O(3) bond lengths are 2.10 Å. In the second Ni site, Ni(2) is bonded to one O(2), two equivalent O(1), and three equivalent O(3) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Zn(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(2)O6 octahedra, and edges with six equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Ni(2)-O(2) bond length is 2.14 Å. There is one shorter (2.10 Å) and one longer (2.14 Å) Ni(2)-O(1) bond length. There is one shorter (2.10 Å) and two longer (2.13 Å) Ni(2)-O(3) bond lengths. Zn(1) is bonded to one O(2), two equivalent O(3), and three equivalent O(1) atoms to form ZnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with six equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Zn(1)-O(2) bond length is 2.12 Å. There is one shorter (2.15 Å) and one longer (2.18 Å) Zn(1)-O(3) bond length. There are two shorter (2.13 Å) and one longer (2.19 Å) Zn(1)-O(1) bond length. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Ni(1), two equivalent Ni(2), and three equivalent Zn(1) atoms to form OZn3Ni3 octahedra that share  a cornercorner with one O(2)Zn2Ni4 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with three equivalent O(1)Zn3Ni3 octahedra, edges with three equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(1)Zn3Ni3 octahedra, and edges with six equivalent O(3)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the second O site, O(2) is bonded to two equivalent Ni(1), two equivalent Ni(2), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share corners with two equivalent O(2)Zn2Ni4 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with two equivalent O(1)Zn3Ni3 octahedra, edges with six equivalent O(3)Zn2Ni4 octahedra, and edges with six equivalent O(1)Zn3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Ni(1), three equivalent Ni(2), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share  a cornercorner with one O(2)Zn2Ni4 octahedra, corners with two equivalent O(1)Zn3Ni3 octahedra, corners with three equivalent O(3)Zn2Ni4 octahedra, edges with three equivalent O(2)Zn2Ni4 octahedra, edges with three equivalent O(3)Zn2Ni4 octahedra, and edges with six equivalent O(1)Zn3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-2°.