NiAs2O4 crystallizes in the tetragonal P4_2/mbc space group. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. As(1) is bonded in a distorted T-shaped geometry to one O(2) and two equivalent O(1) atoms. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one As(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent As(1) atoms.
NiAs2O4 crystallizes in the tetragonal P4_2/mbc space group. Ni(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form edge-sharing NiO6 octahedra. Both Ni(1)-O(1) bond lengths are 2.11 Å. All Ni(1)-O(2) bond lengths are 2.01 Å. As(1) is bonded in a distorted T-shaped geometry to one O(2) and two equivalent O(1) atoms. The As(1)-O(2) bond length is 1.74 Å. Both As(1)-O(1) bond lengths are 1.86 Å. There are two inequivalent O sites. In the first O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Ni(1) and one As(1) atom. In the second O site, O(1) is bonded in a trigonal planar geometry to one Ni(1) and two equivalent As(1) atoms.