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DOE OSTI2020

Materials Data on NaIO2 by Materials Project

NaO2I crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Na is bonded to six equivalent O atoms to form edge-sharing NaO6 octahedra. There are four shorter (2.47 Å) and two longer (2.58 Å) Na–O bond lengths. O is bonded to three equivalent Na and two equivalent I atoms to form a mixture of distorted edge and corner-sharing ONa3I2 trigonal bipyramids. Both O–I bond lengths are 2.21 Å. I is bonded in a square co-planar geometry to four equivalent O atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NaIO2 by Materials Project

NaO2I crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na is bonded in a body-centered cubic geometry to eight equivalent O atoms. All Na–O bond lengths are 2.80 Å. O is bonded to four equivalent Na and two equivalent I atoms to form a mixture of face, edge, and corner-sharing ONa4I2 octahedra. The corner-sharing octahedra tilt angles range from 0–65°. Both O–I bond lengths are 2.13 Å. I is bonded in a square co-planar geometry to four equivalent O atoms.

36 MATERIALS SCIENCE↗