NaNiO6I is Hydrophilite-derived structured and crystallizes in the trigonal P312 space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent I(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Na(1)O6 octahedra and edges with three equivalent I(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Ni(1), and one I(1) atom. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent Na(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°.
NaNiO6I is Hydrophilite-derived structured and crystallizes in the trigonal P312 space group. Na(1) is bonded to six equivalent O(1) atoms to form NaO6 octahedra that share corners with six equivalent Ni(1)O6 octahedra and corners with six equivalent I(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 52-53°. All Na(1)-O(1) bond lengths are 2.45 Å. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Na(1)O6 octahedra and edges with three equivalent I(1)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. All Ni(1)-O(1) bond lengths are 1.89 Å. O(1) is bonded in a distorted trigonal planar geometry to one Na(1), one Ni(1), and one I(1) atom. The O(1)-I(1) bond length is 1.91 Å. I(1) is bonded to six equivalent O(1) atoms to form IO6 octahedra that share corners with six equivalent Na(1)O6 octahedra and edges with three equivalent Ni(1)O6 octahedra. The corner-sharing octahedral tilt angles are 53°.