Ni3O4 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. In the second Ni site, Ni(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing NiO6 octahedra. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Ni(2) and four equivalent Ni(1) atoms to form a mixture of corner and edge-sharing ONi5 square pyramids. In the second O site, O(1) is bonded in a see-saw-like geometry to two equivalent Ni(1) and two equivalent Ni(2) atoms.
Ni3O4 crystallizes in the orthorhombic Cmmm space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of corner and edge-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles range from 10-15°. Both Ni(1)-O(1) bond lengths are 2.06 Å. All Ni(1)-O(2) bond lengths are 2.07 Å. In the second Ni site, Ni(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form edge-sharing NiO6 octahedra. Both Ni(2)-O(2) bond lengths are 1.86 Å. All Ni(2)-O(1) bond lengths are 1.88 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded to one Ni(2) and four equivalent Ni(1) atoms to form a mixture of corner and edge-sharing ONi5 square pyramids. In the second O site, O(1) is bonded in a see-saw-like geometry to two equivalent Ni(1) and two equivalent Ni(2) atoms.