Ni4ZnO5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second Ni site, Ni(2) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third Ni site, Ni(3) is bonded to one O(5), two equivalent O(1), and three equivalent O(4) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Zn(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth Ni site, Ni(5) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with four equivalent Ni(3)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. Zn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form ZnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ni(1), two equivalent Ni(2), two equivalent Ni(3), and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(3)Zn2Ni4 octahedra,  a cornercorner with one O(5)ZnNi5 octahedra, corners with two equivalent O(2)Ni6 octahedra, corners with two equivalent O(4)Zn2Ni4 octahedra, edges with two equivalent O(3)Zn2Ni4 octahedra, edges with two equivalent O(1)ZnNi5 octahedra, edges with two equivalent O(5)ZnNi5 octahedra, edges with three equivalent O(2)Ni6 octahedra, and edges with three equivalent O(4)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Ni(4), two equivalent Ni(1), and three equivalent Ni(2) atoms to form ONi6 octahedra that share  a cornercorner with one O(2)Ni6 octahedra,  a cornercorner with one O(3)Zn2Ni4 octahedra, corners with two equivalent O(1)ZnNi5 octahedra, corners with two equivalent O(5)ZnNi5 octahedra,  an edgeedge with one O(5)ZnNi5 octahedra, edges with three equivalent O(1)ZnNi5 octahedra, edges with four equivalent O(2)Ni6 octahedra, and edges with four equivalent O(3)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Ni(1), one Ni(2), two equivalent Ni(4), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share  a cornercorner with one O(2)Ni6 octahedra,  a cornercorner with one O(1)ZnNi5 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with two equivalent O(4)Zn2Ni4 octahedra,  an edgeedge with one O(4)Zn2Ni4 octahedra, edges with two equivalent O(1)ZnNi5 octahedra, edges with two equivalent O(5)ZnNi5 octahedra, edges with three equivalent O(3)Zn2Ni4 octahedra, and edges with four equivalent O(2)Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Ni(5), three equivalent Ni(3), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share  a cornercorner with one O(4)Zn2Ni4 octahedra,  a cornercorner with one O(5)ZnNi5 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with two equivalent O(1)ZnNi5 octahedra,  an edgeedge with one O(3)Zn2Ni4 octahedra, edges with three equivalent O(1)ZnNi5 octahedra, edges with four equivalent O(4)Zn2Ni4 octahedra, and edges with four equivalent O(5)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Ni(3), two equivalent Ni(1), two equivalent Ni(5), and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(4)Zn2Ni4 octahedra,  a cornercorner with one O(1)ZnNi5 octahedra, corners with two equivalent O(2)Ni6 octahedra, corners with two equivalent O(5)ZnNi5 octahedra,  an edgeedge with one O(2)Ni6 octahedra, edges with two equivalent O(3)Zn2Ni4 octahedra, edges with two equivalent O(1)ZnNi5 octahedra, edges with three equivalent O(5)ZnNi5 octahedra, and edges with four equivalent O(4)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.
Ni4ZnO5 is Caswellsilverite-like structured and crystallizes in the monoclinic C2/m space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(5) atoms to form NiO6 octahedra that share  a cornercorner with one Zn(1)O6 octahedra, corners with two equivalent Ni(5)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with three equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Ni(1)-O(1) bond length is 2.10 Å. The Ni(1)-O(3) bond length is 2.12 Å. Both Ni(1)-O(2) bond lengths are 2.12 Å. Both Ni(1)-O(5) bond lengths are 2.13 Å. In the second Ni site, Ni(2) is bonded to one O(3), two equivalent O(1), and three equivalent O(2) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with three equivalent Ni(1)O6 octahedra,  an edgeedge with one Ni(3)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with three equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Ni(2)-O(3) bond length is 2.13 Å. Both Ni(2)-O(1) bond lengths are 2.12 Å. There is one shorter (2.11 Å) and two longer (2.12 Å) Ni(2)-O(2) bond lengths. In the third Ni site, Ni(3) is bonded to one O(5), two equivalent O(1), and three equivalent O(4) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with three equivalent Zn(1)O6 octahedra,  an edgeedge with one Ni(2)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with three equivalent Zn(1)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-2°. The Ni(3)-O(5) bond length is 2.10 Å. Both Ni(3)-O(1) bond lengths are 2.12 Å. There are two shorter (2.11 Å) and one longer (2.13 Å) Ni(3)-O(4) bond length. In the fourth Ni site, Ni(4) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Zn(1)O6 octahedra, edges with two equivalent Ni(4)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, edges with four equivalent Ni(1)O6 octahedra, and edges with four equivalent Ni(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. Both Ni(4)-O(2) bond lengths are 2.13 Å. All Ni(4)-O(3) bond lengths are 2.10 Å. In the fifth Ni site, Ni(5) is bonded to two equivalent O(4) and four equivalent O(5) atoms to form NiO6 octahedra that share corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with four equivalent Ni(3)O6 octahedra, and edges with four equivalent Zn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-2°. Both Ni(5)-O(4) bond lengths are 2.12 Å. All Ni(5)-O(5) bond lengths are 2.12 Å. Zn(1) is bonded to one O(1), one O(5), two equivalent O(3), and two equivalent O(4) atoms to form ZnO6 octahedra that share  a cornercorner with one Ni(1)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with two equivalent Zn(1)O6 octahedra, and edges with three equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. The Zn(1)-O(1) bond length is 2.15 Å. The Zn(1)-O(5) bond length is 2.14 Å. Both Zn(1)-O(3) bond lengths are 2.15 Å. Both Zn(1)-O(4) bond lengths are 2.15 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Ni(1), two equivalent Ni(2), two equivalent Ni(3), and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(3)Zn2Ni4 octahedra,  a cornercorner with one O(5)ZnNi5 octahedra, corners with two equivalent O(2)Ni6 octahedra, corners with two equivalent O(4)Zn2Ni4 octahedra, edges with two equivalent O(3)Zn2Ni4 octahedra, edges with two equivalent O(1)ZnNi5 octahedra, edges with two equivalent O(5)ZnNi5 octahedra, edges with three equivalent O(2)Ni6 octahedra, and edges with three equivalent O(4)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the second O site, O(2) is bonded to one Ni(4), two equivalent Ni(1), and three equivalent Ni(2) atoms to form ONi6 octahedra that share  a cornercorner with one O(2)Ni6 octahedra,  a cornercorner with one O(3)Zn2Ni4 octahedra, corners with two equivalent O(1)ZnNi5 octahedra, corners with two equivalent O(5)ZnNi5 octahedra,  an edgeedge with one O(5)ZnNi5 octahedra, edges with three equivalent O(1)ZnNi5 octahedra, edges with four equivalent O(2)Ni6 octahedra, and edges with four equivalent O(3)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the third O site, O(3) is bonded to one Ni(1), one Ni(2), two equivalent Ni(4), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share  a cornercorner with one O(2)Ni6 octahedra,  a cornercorner with one O(1)ZnNi5 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with two equivalent O(4)Zn2Ni4 octahedra,  an edgeedge with one O(4)Zn2Ni4 octahedra, edges with two equivalent O(1)ZnNi5 octahedra, edges with two equivalent O(5)ZnNi5 octahedra, edges with three equivalent O(3)Zn2Ni4 octahedra, and edges with four equivalent O(2)Ni6 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fourth O site, O(4) is bonded to one Ni(5), three equivalent Ni(3), and two equivalent Zn(1) atoms to form OZn2Ni4 octahedra that share  a cornercorner with one O(4)Zn2Ni4 octahedra,  a cornercorner with one O(5)ZnNi5 octahedra, corners with two equivalent O(3)Zn2Ni4 octahedra, corners with two equivalent O(1)ZnNi5 octahedra,  an edgeedge with one O(3)Zn2Ni4 octahedra, edges with three equivalent O(1)ZnNi5 octahedra, edges with four equivalent O(4)Zn2Ni4 octahedra, and edges with four equivalent O(5)ZnNi5 octahedra. The corner-sharing octahedral tilt angles range from 0-1°. In the fifth O site, O(5) is bonded to one Ni(3), two equivalent Ni(1), two equivalent Ni(5), and one Zn(1) atom to form OZnNi5 octahedra that share  a cornercorner with one O(4)Zn2Ni4 octahedra,  a cornercorner with one O(1)ZnNi5 octahedra, corners with two equivalent O(2)Ni6 octahedra, corners with two equivalent O(5)ZnNi5 octahedra,  an edgeedge with one O(2)Ni6 octahedra, edges with two equivalent O(3)Zn2Ni4 octahedra, edges with two equivalent O(1)ZnNi5 octahedra, edges with three equivalent O(5)ZnNi5 octahedra, and edges with four equivalent O(4)Zn2Ni4 octahedra. The corner-sharing octahedral tilt angles range from 0-1°.