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Materials Data on Na2N2O3 by Materials Project

Na2N2O3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–2.68 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.45–2.95 Å. In the third Na1+ site, Na1+ is bonded in a see-saw-like geometry to four O2- atoms. There are a spread of Na–O bond distances ranging from 2.39–2.46 Å. There are four inequivalent N2+ sites. In the first N2+ site, N2+ is bonded in a bent 120 degrees geometry to two O2- atoms. Both N–O bond lengths are 1.27 Å. In the second N2+ site, N2+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.27 Å. In the third N2+ site, N2+ is bonded in a single-bond geometry to one O2- atom. The N–O bond length is 1.27 Å. In the fourth N2+ site, N2+ is bonded in a bent 120 degrees geometry to two equivalent O2- atoms. Both N–O bond lengths are 1.27 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three Na1+ and one N2+ atom. In the second O2- site, O2- is bonded to three Na1+ and one N2+ atom to form distorted corner-sharing ONa3N tetrahedra. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to four Na1+ and one N2+ atom. In the fourth O2- site, O2- is bonded to three Na1+ and one N2+ atom to form distorted corner-sharing ONa3N tetrahedra. In the fifth O2- site, O2- is bonded in a 1-coordinate geometry to three Na1+ and one N2+ atom.

36 MATERIALS SCIENCE↗