Materials Data on NaHNO2 by Materials Project

Abstract

NaNHO2 crystallizes in the orthorhombic Pbcm space group. The structure is three-dimensional. there are two inequivalent Na sites. In the first Na site, Na is bonded in a 8-coordinate geometry to two equivalent H and six O atoms. Both Na–H bond lengths are 2.55 Å. There are a spread of Na–O bond distances ranging from 2.40–2.50 Å. In the second Na site, Na is bonded to seven O atoms to form distorted face-sharing NaO7 pentagonal bipyramids. There are a spread of Na–O bond distances ranging from 2.53–2.62 Å. There are two inequivalent N sites. In the first N site, N is bonded in a distorted trigonal planar geometry to one N and two O atoms. The N–N bond length is 1.30 Å. There is one shorter (1.32 Å) and one longer (1.33 Å) N–O bond length. In the second N site, N is bonded in a distorted bent 120 degrees geometry to one N and one O atom. The N–O bond length is 1.34 Å. H is bonded in a single-bond geometry to one Na and one O atom. The H–O bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O is bonded in a 5-coordinate geometry to four Na and one N atom. In the second O site, O is bonded in a water-like geometry to three Na and two equivalent H atoms. In the third O site, O is bonded in a 5-coordinate geometry to four Na and one N atom. In the fourth O site, O is bonded in a distorted single-bond geometry to two equivalent Na and one N atom.