NaFeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Na(1) is bonded to twelve equivalent O(1) atoms to form NaO12 cuboctahedra that share corners with twelve equivalent Na(1)O12 cuboctahedra, faces with six equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. O(1) is bonded to four equivalent Na(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge, corner, and face-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
NaFeO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. Na(1) is bonded to twelve equivalent O(1) atoms to form NaO12 cuboctahedra that share corners with twelve equivalent Na(1)O12 cuboctahedra, faces with six equivalent Na(1)O12 cuboctahedra, and faces with eight equivalent Fe(1)O6 octahedra. All Na(1)-O(1) bond lengths are 2.71 Å. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Fe(1)O6 octahedra and faces with eight equivalent Na(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. All Fe(1)-O(1) bond lengths are 1.92 Å. O(1) is bonded to four equivalent Na(1) and two equivalent Fe(1) atoms to form a mixture of distorted edge, corner, and face-sharing ONa4Fe2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°.