Zn(NiO2)2 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. In the fourth Ni site, Ni(4) 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 six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OZnNi3 trigonal pyramids. In the second O site, O(2) is bonded to one Ni(1), one Ni(3), one Ni(4), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OZnNi3 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(4), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Zn(1) atom.
Zn(NiO2)2 is Spinel structured and crystallizes in the triclinic P-1 space group. There are four inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(2)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. Both Ni(1)-O(2) bond lengths are 1.96 Å. Both Ni(1)-O(3) bond lengths are 1.90 Å. Both Ni(1)-O(4) bond lengths are 2.07 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(3)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. Both Ni(2)-O(1) bond lengths are 1.92 Å. Both Ni(2)-O(3) bond lengths are 2.07 Å. Both Ni(2)-O(4) bond lengths are 1.93 Å. In the third Ni site, Ni(3) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form NiO6 octahedra that share corners with six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(4)O6 octahedra. Both Ni(3)-O(1) bond lengths are 2.07 Å. Both Ni(3)-O(2) bond lengths are 1.98 Å. Both Ni(3)-O(4) bond lengths are 1.95 Å. In the fourth Ni site, Ni(4) 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 six equivalent Zn(1)O4 tetrahedra, edges with two equivalent Ni(1)O6 octahedra, edges with two equivalent Ni(2)O6 octahedra, and edges with two equivalent Ni(3)O6 octahedra. Both Ni(4)-O(1) bond lengths are 1.92 Å. Both Ni(4)-O(2) bond lengths are 1.96 Å. Both Ni(4)-O(3) bond lengths are 2.06 Å. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form ZnO4 tetrahedra that share corners with three equivalent Ni(1)O6 octahedra, corners with three equivalent Ni(2)O6 octahedra, corners with three equivalent Ni(3)O6 octahedra, and corners with three equivalent Ni(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-65°. The Zn(1)-O(1) bond length is 1.98 Å. The Zn(1)-O(2) bond length is 1.99 Å. The Zn(1)-O(3) bond length is 1.96 Å. The Zn(1)-O(4) bond length is 1.98 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded to one Ni(2), one Ni(3), one Ni(4), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OZnNi3 trigonal pyramids. In the second O site, O(2) is bonded to one Ni(1), one Ni(3), one Ni(4), and one Zn(1) atom to form a mixture of distorted corner and edge-sharing OZnNi3 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(4), and one Zn(1) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Ni(1), one Ni(2), one Ni(3), and one Zn(1) atom.