NiO2 is Rutile-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. In the second Ni site, Ni(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ni(2) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(2) atoms.
NiO2 is Rutile-like structured and crystallizes in the orthorhombic Pnma space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to one O(4), two equivalent O(3), and three equivalent O(2) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. The Ni(1)-O(4) bond length is 1.90 Å. Both Ni(1)-O(3) bond lengths are 1.87 Å. There is one shorter (1.85 Å) and two longer (1.87 Å) Ni(1)-O(2) bond lengths. In the second Ni site, Ni(2) is bonded to one O(3), two equivalent O(4), and three equivalent O(1) atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 51-60°. The Ni(2)-O(3) bond length is 1.94 Å. Both Ni(2)-O(4) bond lengths are 1.84 Å. There is one shorter (1.86 Å) and two longer (1.87 Å) Ni(2)-O(1) bond lengths. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(2) atoms. In the second O site, O(2) is bonded in a distorted trigonal non-coplanar geometry to three equivalent Ni(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Ni(2) and two equivalent Ni(1) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent Ni(2) atoms.