Materials Data on Na2Co(NO3)4 by Materials Project

Abstract

Na2Co(NO3)4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.37–2.76 Å. In the second Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.79 Å. Co2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Co–O bond distances ranging from 2.07–2.63 Å. There are four inequivalent N5+ sites. In the first N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.29 Å. In the second N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. In the third N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.25–1.30 Å. In the fourth N5+ site, N5+ is bonded in a trigonal planar geometry to three O2- atoms. There are a spread of N–O bond distances ranging from 1.23–1.30 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Na1+, one Co2+, and one N5+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Na1+, one Co2+, and one N5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Co2+, and one N5+ atom. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to one Na1+, one Co2+, and one N5+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one N5+ atom. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one N5+ atom. In the seventh O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+, one Co2+, and one N5+ atom. In the eighth O2- site, O2- is bonded in a distorted T-shaped geometry to one Na1+, one Co2+, and one N5+ atom. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to two Na1+ and one N5+ atom. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one Na1+, one Co2+, and one N5+ atom. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one Na1+ and one N5+ atom. In the twelfth O2- site, O2- is bonded in a 1-coordinate geometry to one Na1+, one Co2+, and one N5+ atom.