NaNiO2 is H-Phase structured and crystallizes in the monoclinic P2_1/m 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 range from 11-14°. 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 edge, face, and corner-sharing ONa3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°.
NaNiO2 is H-Phase structured and crystallizes in the monoclinic P2_1/m 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 range from 11-14°. There are a spread of Na(1)-O(1) bond distances ranging from 2.31-2.35 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. There are four shorter (1.90 Å) and two longer (2.16 Å) Ni(1)-O(1) bond lengths. O(1) is bonded to three equivalent Na(1) and three equivalent Ni(1) atoms to form a mixture of edge, face, and corner-sharing ONa3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-47°.