Ni5O4 crystallizes in the cubic P-43m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to six equivalent O(1) atoms. In the second Ni site, Ni(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. O(1) is bonded in a 7-coordinate geometry to one Ni(2) and six equivalent Ni(1) atoms.
Ni5O4 crystallizes in the cubic P-43m space group. There are two inequivalent Ni sites. In the first Ni site, Ni(1) is bonded in a 3-coordinate geometry to six equivalent O(1) atoms. There are three shorter (2.03 Å) and three longer (2.53 Å) Ni(1)-O(1) bond lengths. In the second Ni site, Ni(2) is bonded in a tetrahedral geometry to four equivalent O(1) atoms. All Ni(2)-O(1) bond lengths are 2.15 Å. O(1) is bonded in a 7-coordinate geometry to one Ni(2) and six equivalent Ni(1) atoms.