Ni9Zn2O13 crystallizes in the monoclinic C2/m space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 3°. In the second Ni site, Ni(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Zn(1)O6 pentagonal pyramids, edges with five equivalent Ni(2)O6 octahedra, and edges with five equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. In the third Ni site, Ni(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra, corners with two equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(5)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Ni(4)O6 octahedra, edges with five equivalent Ni(2)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 0-61°. In the fifth Ni site, Ni(5) is bonded to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, corners with four equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 1-61°. Zn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted ZnO6 pentagonal pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(5)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and faces with two equivalent Zn(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 26-73°. There are seven inequivalent O sites. In the first O site, O(7) is bonded to one Ni(5), two equivalent Ni(1), and three equivalent Ni(3) atoms to form ONi6 octahedra that share corners with two equivalent O(7)Ni6 octahedra, corners with two equivalent O(6)Ni5 square pyramids,  a cornercorner with one O(2)Zn2Ni2 tetrahedra,  a cornercorner with one O(5)Zn2Ni3 trigonal bipyramid, edges with five equivalent O(7)Ni6 octahedra, edges with five equivalent O(6)Ni5 square pyramids, and edges with two equivalent O(5)Zn2Ni3 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to two equivalent Ni(4) and four equivalent Ni(2) atoms to form ONi6 octahedra that share corners with four equivalent O(3)Ni5 square pyramids, corners with two equivalent O(2)Zn2Ni2 tetrahedra, edges with two equivalent O(1)Ni6 octahedra, edges with six equivalent O(3)Ni5 square pyramids, and edges with four equivalent O(4)Zn2Ni3 trigonal bipyramids. In the third O site, O(2) is bonded to one Ni(4), one Ni(5), and two equivalent Zn(1) atoms to form OZn2Ni2 tetrahedra that share  a cornercorner with one O(1)Ni6 octahedra,  a cornercorner with one O(7)Ni6 octahedra, corners with two equivalent O(3)Ni5 square pyramids, corners with two equivalent O(6)Ni5 square pyramids, corners with two equivalent O(2)Zn2Ni2 tetrahedra, corners with four equivalent O(4)Zn2Ni3 trigonal bipyramids, corners with four equivalent O(5)Zn2Ni3 trigonal bipyramids,  an edgeedge with one O(4)Zn2Ni3 trigonal bipyramid, and  an edgeedge with one O(5)Zn2Ni3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 5°. In the fourth O site, O(3) is bonded to two equivalent Ni(4) and three equivalent Ni(2) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra, corners with two equivalent O(2)Zn2Ni2 tetrahedra, corners with five equivalent O(4)Zn2Ni3 trigonal bipyramids, edges with three equivalent O(1)Ni6 octahedra, edges with four equivalent O(3)Ni5 square pyramids, and  an edgeedge with one O(4)Zn2Ni3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 6°. In the fifth O site, O(4) is bonded to one Ni(2), two equivalent Ni(4), and two equivalent Zn(1) atoms to form distorted OZn2Ni3 trigonal bipyramids that share corners with five equivalent O(3)Ni5 square pyramids, corners with four equivalent O(2)Zn2Ni2 tetrahedra, corners with two equivalent O(5)Zn2Ni3 trigonal bipyramids, edges with two equivalent O(1)Ni6 octahedra,  an edgeedge with one O(3)Ni5 square pyramid,  an edgeedge with one O(2)Zn2Ni2 tetrahedra,  an edgeedge with one O(5)Zn2Ni3 trigonal bipyramid, and edges with two equivalent O(4)Zn2Ni3 trigonal bipyramids. In the sixth O site, O(5) is bonded to one Ni(3), two equivalent Ni(5), and two equivalent Zn(1) atoms to form distorted OZn2Ni3 trigonal bipyramids that share  a cornercorner with one O(7)Ni6 octahedra, corners with four equivalent O(6)Ni5 square pyramids, corners with four equivalent O(2)Zn2Ni2 tetrahedra, corners with two equivalent O(4)Zn2Ni3 trigonal bipyramids, edges with two equivalent O(7)Ni6 octahedra,  an edgeedge with one O(6)Ni5 square pyramid,  an edgeedge with one O(2)Zn2Ni2 tetrahedra,  an edgeedge with one O(4)Zn2Ni3 trigonal bipyramid, and edges with two equivalent O(5)Zn2Ni3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the seventh O site, O(6) is bonded to one Ni(1), two equivalent Ni(3), and two equivalent Ni(5) atoms to form ONi5 square pyramids that share corners with two equivalent O(7)Ni6 octahedra,  a cornercorner with one O(6)Ni5 square pyramid, corners with two equivalent O(2)Zn2Ni2 tetrahedra, corners with four equivalent O(5)Zn2Ni3 trigonal bipyramids, edges with five equivalent O(7)Ni6 octahedra, edges with two equivalent O(6)Ni5 square pyramids, and  an edgeedge with one O(5)Zn2Ni3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 6°.
Ni9Zn2O13 crystallizes in the monoclinic C2/m space group. There are five inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(6) and four equivalent O(7) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 3°. Both Ni(1)-O(6) bond lengths are 2.00 Å. All Ni(1)-O(7) bond lengths are 2.08 Å. In the second Ni site, Ni(2) is bonded to one O(4), two equivalent O(1), and three equivalent O(3) atoms to form NiO6 octahedra that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(4)O6 octahedra, corners with two equivalent Zn(1)O6 pentagonal pyramids, edges with five equivalent Ni(2)O6 octahedra, and edges with five equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 0-12°. The Ni(2)-O(4) bond length is 1.93 Å. Both Ni(2)-O(1) bond lengths are 2.08 Å. There is one shorter (1.99 Å) and two longer (2.06 Å) Ni(2)-O(3) bond lengths. In the third Ni site, Ni(3) is bonded to one O(5), two equivalent O(6), and three equivalent O(7) atoms to form NiO6 octahedra that share corners with two equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(5)O6 octahedra, corners with two equivalent Zn(1)O6 pentagonal pyramids, edges with three equivalent Ni(1)O6 octahedra, edges with three equivalent Ni(5)O6 octahedra, and edges with four equivalent Ni(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-12°. The Ni(3)-O(5) bond length is 1.99 Å. Both Ni(3)-O(6) bond lengths are 2.06 Å. There are two shorter (2.08 Å) and one longer (2.11 Å) Ni(3)-O(7) bond length. In the fourth Ni site, Ni(4) is bonded to one O(1), one O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra,  a cornercorner with one Ni(5)O6 octahedra, corners with two equivalent Ni(2)O6 octahedra, corners with four equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Ni(4)O6 octahedra, edges with five equivalent Ni(2)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 0-61°. The Ni(4)-O(1) bond length is 2.21 Å. The Ni(4)-O(2) bond length is 1.98 Å. Both Ni(4)-O(3) bond lengths are 2.10 Å. Both Ni(4)-O(4) bond lengths are 2.04 Å. In the fifth Ni site, Ni(5) is bonded to one O(2), one O(7), two equivalent O(5), and two equivalent O(6) atoms to form NiO6 octahedra that share  a cornercorner with one Ni(4)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, corners with four equivalent Zn(1)O6 pentagonal pyramids, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(5)O6 octahedra, edges with three equivalent Ni(3)O6 octahedra, and  an edgeedge with one Zn(1)O6 pentagonal pyramid. The corner-sharing octahedral tilt angles range from 1-61°. The Ni(5)-O(2) bond length is 2.00 Å. The Ni(5)-O(7) bond length is 2.30 Å. Both Ni(5)-O(5) bond lengths are 2.03 Å. Both Ni(5)-O(6) bond lengths are 2.08 Å. Zn(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent O(5) atoms to form distorted ZnO6 pentagonal pyramids that share corners with two equivalent Ni(2)O6 octahedra, corners with two equivalent Ni(3)O6 octahedra, corners with four equivalent Ni(4)O6 octahedra, corners with four equivalent Ni(5)O6 octahedra,  an edgeedge with one Ni(4)O6 octahedra,  an edgeedge with one Ni(5)O6 octahedra, and faces with two equivalent Zn(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 26-73°. Both Zn(1)-O(2) bond lengths are 2.03 Å. Both Zn(1)-O(4) bond lengths are 2.25 Å. Both Zn(1)-O(5) bond lengths are 2.24 Å. There are seven inequivalent O sites. In the first O site, O(7) is bonded to one Ni(5), two equivalent Ni(1), and three equivalent Ni(3) atoms to form ONi6 octahedra that share corners with two equivalent O(7)Ni6 octahedra, corners with two equivalent O(6)Ni5 square pyramids,  a cornercorner with one O(2)Zn2Ni2 tetrahedra,  a cornercorner with one O(5)Zn2Ni3 trigonal bipyramid, edges with five equivalent O(7)Ni6 octahedra, edges with five equivalent O(6)Ni5 square pyramids, and edges with two equivalent O(5)Zn2Ni3 trigonal bipyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to two equivalent Ni(4) and four equivalent Ni(2) atoms to form ONi6 octahedra that share corners with four equivalent O(3)Ni5 square pyramids, corners with two equivalent O(2)Zn2Ni2 tetrahedra, edges with two equivalent O(1)Ni6 octahedra, edges with six equivalent O(3)Ni5 square pyramids, and edges with four equivalent O(4)Zn2Ni3 trigonal bipyramids. In the third O site, O(2) is bonded to one Ni(4), one Ni(5), and two equivalent Zn(1) atoms to form OZn2Ni2 tetrahedra that share  a cornercorner with one O(1)Ni6 octahedra,  a cornercorner with one O(7)Ni6 octahedra, corners with two equivalent O(3)Ni5 square pyramids, corners with two equivalent O(6)Ni5 square pyramids, corners with two equivalent O(2)Zn2Ni2 tetrahedra, corners with four equivalent O(4)Zn2Ni3 trigonal bipyramids, corners with four equivalent O(5)Zn2Ni3 trigonal bipyramids,  an edgeedge with one O(4)Zn2Ni3 trigonal bipyramid, and  an edgeedge with one O(5)Zn2Ni3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 5°. In the fourth O site, O(3) is bonded to two equivalent Ni(4) and three equivalent Ni(2) atoms to form ONi5 square pyramids that share corners with two equivalent O(1)Ni6 octahedra, corners with two equivalent O(2)Zn2Ni2 tetrahedra, corners with five equivalent O(4)Zn2Ni3 trigonal bipyramids, edges with three equivalent O(1)Ni6 octahedra, edges with four equivalent O(3)Ni5 square pyramids, and  an edgeedge with one O(4)Zn2Ni3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 6°. In the fifth O site, O(4) is bonded to one Ni(2), two equivalent Ni(4), and two equivalent Zn(1) atoms to form distorted OZn2Ni3 trigonal bipyramids that share corners with five equivalent O(3)Ni5 square pyramids, corners with four equivalent O(2)Zn2Ni2 tetrahedra, corners with two equivalent O(5)Zn2Ni3 trigonal bipyramids, edges with two equivalent O(1)Ni6 octahedra,  an edgeedge with one O(3)Ni5 square pyramid,  an edgeedge with one O(2)Zn2Ni2 tetrahedra,  an edgeedge with one O(5)Zn2Ni3 trigonal bipyramid, and edges with two equivalent O(4)Zn2Ni3 trigonal bipyramids. In the sixth O site, O(5) is bonded to one Ni(3), two equivalent Ni(5), and two equivalent Zn(1) atoms to form distorted OZn2Ni3 trigonal bipyramids that share  a cornercorner with one O(7)Ni6 octahedra, corners with four equivalent O(6)Ni5 square pyramids, corners with four equivalent O(2)Zn2Ni2 tetrahedra, corners with two equivalent O(4)Zn2Ni3 trigonal bipyramids, edges with two equivalent O(7)Ni6 octahedra,  an edgeedge with one O(6)Ni5 square pyramid,  an edgeedge with one O(2)Zn2Ni2 tetrahedra,  an edgeedge with one O(4)Zn2Ni3 trigonal bipyramid, and edges with two equivalent O(5)Zn2Ni3 trigonal bipyramids. The corner-sharing octahedral tilt angles are 4°. In the seventh O site, O(6) is bonded to one Ni(1), two equivalent Ni(3), and two equivalent Ni(5) atoms to form ONi5 square pyramids that share corners with two equivalent O(7)Ni6 octahedra,  a cornercorner with one O(6)Ni5 square pyramid, corners with two equivalent O(2)Zn2Ni2 tetrahedra, corners with four equivalent O(5)Zn2Ni3 trigonal bipyramids, edges with five equivalent O(7)Ni6 octahedra, edges with two equivalent O(6)Ni5 square pyramids, and  an edgeedge with one O(5)Zn2Ni3 trigonal bipyramid. The corner-sharing octahedral tilt angles are 6°.