NaNiO7PO4 crystallizes in the tetragonal P4_2/mmc space group. The structure consists of two phosphoric acid molecules inside a NaNiO7 framework. In the NaNiO7 framework, Na(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. Ni(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Na(1)O6 octahedra. There are three inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one Ni(1) atom. In the second O site, O(3) is bonded in a water-like geometry to one Na(1) and one Ni(1) atom. In the third O site, O(4) is bonded in a linear geometry to two equivalent Na(1) atoms.
NaNiO7PO4 crystallizes in the tetragonal P4_2/mmc space group. The structure consists of two phosphoric acid molecules inside a NaNiO7 framework. In the NaNiO7 framework, Na(1) is bonded to two equivalent O(4) and four equivalent O(3) atoms to form NaO6 octahedra that share corners with two equivalent Na(1)O6 octahedra and edges with two equivalent Ni(1)O6 octahedra. The corner-sharing octahedra are not tilted. Both Na(1)-O(4) bond lengths are 2.44 Å. All Na(1)-O(3) bond lengths are 2.28 Å. Ni(1) is bonded to two equivalent O(2) and four equivalent O(3) atoms to form NiO6 octahedra that share edges with two equivalent Na(1)O6 octahedra. Both Ni(1)-O(2) bond lengths are 1.83 Å. All Ni(1)-O(3) bond lengths are 1.83 Å. There are three inequivalent O sites. In the first O site, O(2) is bonded in a single-bond geometry to one Ni(1) atom. In the second O site, O(3) is bonded in a water-like geometry to one Na(1) and one Ni(1) atom. In the third O site, O(4) is bonded in a linear geometry to two equivalent Na(1) atoms.