NiCu2O4 crystallizes in the monoclinic C2/c space group. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 pentagonal pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ni(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded to two equivalent Ni(1), one Cu(1), and one Cu(2) atom to form a mixture of edge and corner-sharing OCu2Ni2 tetrahedra.
NiCu2O4 crystallizes in the monoclinic C2/c space group. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 pentagonal pyramids. Both Ni(1)-O(1) bond lengths are 2.18 Å. There are two shorter (2.10 Å) and two longer (2.11 Å) Ni(1)-O(2) bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(1)-O(1) bond lengths are 1.84 Å. Both Cu(1)-O(2) bond lengths are 1.90 Å. In the second Cu site, Cu(2) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Cu(2)-O(1) bond lengths are 1.86 Å. Both Cu(2)-O(2) bond lengths are 1.85 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Ni(1), one Cu(1), and one Cu(2) atom. In the second O site, O(2) is bonded to two equivalent Ni(1), one Cu(1), and one Cu(2) atom to form a mixture of edge and corner-sharing OCu2Ni2 tetrahedra.