NaNiO2 is H-Phase structured and crystallizes in the triclinic P-1 space group. Na(1) is bonded to six O(1,1) atoms to form distorted NaO6 pentagonal pyramids that share corners with six Ni(1,1)O6 octahedra; edges with six Ni(1,1)O6 octahedra; and edges with six equivalent Na(1)O6 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 11-14°. There are two inequivalent Ni sites. In the first Ni site, 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. In the second Ni site, 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 two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and three equivalent Ni(1) atoms to form a mixture of edge, corner, and face-sharing ONa3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. In the second O site, O(1) is bonded to three equivalent Na(1) and three equivalent Ni(1) atoms to form a mixture of edge, corner, and face-sharing ONa3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°.
NaNiO2 is H-Phase structured and crystallizes in the triclinic P-1 space group. Na(1) is bonded to six O(1,1) atoms to form distorted NaO6 pentagonal pyramids that share corners with six Ni(1,1)O6 octahedra; edges with six Ni(1,1)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(1,1) bond distances ranging from 2.36-2.38 Å. There are two inequivalent Ni sites. In the first Ni site, 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 a spread of Ni(1)-O(1) bond distances ranging from 1.95-2.14 Å. In the second Ni site, 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 a spread of Ni(1)-O(1) bond distances ranging from 1.95-2.14 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Na(1) and three equivalent Ni(1) atoms to form a mixture of edge, corner, and face-sharing ONa3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°. In the second O site, O(1) is bonded to three equivalent Na(1) and three equivalent Ni(1) atoms to form a mixture of edge, corner, and face-sharing ONa3Ni3 octahedra. The corner-sharing octahedral tilt angles range from 0-44°.