Ni15O16 crystallizes in the cubic Im-3m 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 a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form ONi6 octahedra that share corners with two equivalent O(3)Ni6 octahedra, corners with four equivalent O(1)Ni5 square pyramids, edges with four equivalent O(2)Ni6 octahedra, edges with four equivalent O(3)Ni6 octahedra, and edges with four equivalent O(1)Ni5 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to one Ni(2) and four equivalent Ni(1) atoms to form ONi5 square pyramids that share corners with four equivalent O(3)Ni6 octahedra, corners with five equivalent O(1)Ni5 square pyramids, edges with four equivalent O(2)Ni6 octahedra, and edges with four equivalent O(3)Ni6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third O site, O(2) is bonded to six equivalent Ni(1) atoms to form ONi6 octahedra that share corners with six equivalent O(2)Ni6 octahedra, edges with six equivalent O(3)Ni6 octahedra, and edges with six equivalent O(1)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 3°.
Ni15O16 crystallizes in the cubic Im-3m 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 a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 0-11°. Both Ni(1)-O(1) bond lengths are 2.08 Å. Both Ni(1)-O(2) bond lengths are 2.10 Å. Both Ni(1)-O(3) bond lengths are 2.14 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedra are not tilted. Both Ni(2)-O(1) bond lengths are 1.94 Å. All Ni(2)-O(3) bond lengths are 2.10 Å. There are three inequivalent O sites. In the first O site, O(3) is bonded to two equivalent Ni(2) and four equivalent Ni(1) atoms to form ONi6 octahedra that share corners with two equivalent O(3)Ni6 octahedra, corners with four equivalent O(1)Ni5 square pyramids, edges with four equivalent O(2)Ni6 octahedra, edges with four equivalent O(3)Ni6 octahedra, and edges with four equivalent O(1)Ni5 square pyramids. The corner-sharing octahedra are not tilted. In the second O site, O(1) is bonded to one Ni(2) and four equivalent Ni(1) atoms to form ONi5 square pyramids that share corners with four equivalent O(3)Ni6 octahedra, corners with five equivalent O(1)Ni5 square pyramids, edges with four equivalent O(2)Ni6 octahedra, and edges with four equivalent O(3)Ni6 octahedra. The corner-sharing octahedral tilt angles are 6°. In the third O site, O(2) is bonded to six equivalent Ni(1) atoms to form ONi6 octahedra that share corners with six equivalent O(2)Ni6 octahedra, edges with six equivalent O(3)Ni6 octahedra, and edges with six equivalent O(1)Ni5 square pyramids. The corner-sharing octahedral tilt angles are 3°.