Materials Data on NaO2 by Materials Project

Abstract

NaO2 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Na is bonded to eight equivalent O atoms to form NaO8 hexagonal bipyramids that share corners with eight equivalent ONa4O trigonal bipyramids and edges with twelve equivalent NaO8 hexagonal bipyramids. There are six shorter (2.59 Å) and two longer (2.60 Å) Na–O bond lengths. O is bonded to four equivalent Na and one O atom to form ONa4O trigonal bipyramids that share corners with four equivalent NaO8 hexagonal bipyramids, corners with sixteen equivalent ONa4O trigonal bipyramids, and edges with six equivalent ONa4O trigonal bipyramids. The O–O bond length is 1.36 Å.