Materials Data on Na3NO2 by Materials Project

Abstract

Na3NO2 crystallizes in the orthorhombic Ima2 space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a T-shaped geometry to three O2- atoms. There are a spread of Na–O bond distances ranging from 2.26–2.68 Å. In the second Na1+ site, Na1+ is bonded in a rectangular see-saw-like geometry to four O2- atoms. There are two shorter (2.25 Å) and two longer (2.61 Å) Na–O bond lengths. N1+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.28 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to six Na1+ atoms to form corner-sharing ONa6 octahedra. The corner-sharing octahedra tilt angles range from 2–8°. In the second O2- site, O2- is bonded in a 1-coordinate geometry to four Na1+ and one N1+ atom.