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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaI by Materials Project

NaI is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded to six equivalent I1- atoms to form a mixture of edge and corner-sharing NaI6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Na–I bond lengths are 3.27 Å. I1- is bonded to six equivalent Na1+ atoms to form a mixture of edge and corner-sharing INa6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaI by Materials Project

NaI is alpha Niobium phosphide structured and crystallizes in the tetragonal I4_1/amd space group. The structure is two-dimensional and consists of four NaI sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a square co-planar geometry to four equivalent I1- atoms. All Na–I bond lengths are 3.13 Å. I1- is bonded in a square co-planar geometry to four equivalent Na1+ atoms.

36 MATERIALS SCIENCE↗