NaNiO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to six equivalent O(1) atoms to form distorted NaO6 pentagonal pyramids that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Na(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 12°. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Na(1)O6 pentagonal pyramids, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Na(1)O6 pentagonal pyramids. O(1) is bonded to three equivalent Na(1) and three equivalent Ni(1) atoms to form a mixture of face, corner, and edge-sharing ONa3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-43°.
NaNiO2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc space group. Na(1) is bonded to six equivalent O(1) atoms to form distorted NaO6 pentagonal pyramids that share corners with six equivalent Ni(1)O6 octahedra, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Na(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 12°. All Na(1)-O(1) bond lengths are 2.38 Å. Ni(1) is bonded to six equivalent O(1) atoms to form NiO6 octahedra that share corners with six equivalent Na(1)O6 pentagonal pyramids, edges with six equivalent Ni(1)O6 octahedra, and edges with six equivalent Na(1)O6 pentagonal pyramids. All Ni(1)-O(1) bond lengths are 2.02 Å. O(1) is bonded to three equivalent Na(1) and three equivalent Ni(1) atoms to form a mixture of face, corner, and edge-sharing ONa3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-43°.