Materials Data on NaPb2IO6 by Materials Project
NaPb2O6I is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent O2- atoms to form NaO6 octahedra that share corners with six equivalent IO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Na–O bond lengths are 2.25 Å. Pb3+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, faces with four equivalent NaO6 octahedra, and faces with four equivalent IO6 octahedra. All Pb–O bond lengths are 2.93 Å. O2- is bonded in a linear geometry to one Na1+, four equivalent Pb3+, and one I5+ atom. The O–I bond length is 1.90 Å. I5+ is bonded to six equivalent O2- atoms to form IO6 octahedra that share corners with six equivalent NaO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.