Materials Data on Na2O by Materials Project

Abstract

Na2O crystallizes in the trigonal P3 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 4-coordinate geometry to five O2- atoms. There are a spread of Na–O bond distances ranging from 2.43–2.96 Å. In the second Na1+ site, Na1+ is bonded to four O2- atoms to form a mixture of distorted edge and corner-sharing NaO4 tetrahedra. There are a spread of Na–O bond distances ranging from 2.30–2.49 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 6-coordinate geometry to nine Na1+ atoms. In the second O2- site, O2- is bonded in a 9-coordinate geometry to nine Na1+ atoms. In the third O2- site, O2- is bonded in a 9-coordinate geometry to nine Na1+ atoms.