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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaCNO by Materials Project

NaNCO crystallizes in the trigonal R3m space group. The structure is three-dimensional. Na1+ is bonded to three equivalent N3- and three equivalent O2- atoms to form edge-sharing NaN3O3 octahedra. All Na–N bond lengths are 2.47 Å. All Na–O bond lengths are 2.52 Å. C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.19 Å. The C–O bond length is 1.23 Å. N3- is bonded to three equivalent Na1+ and one C4+ atom to form distorted corner-sharing NNa3C trigonal pyramids. O2- is bonded in a 4-coordinate geometry to three equivalent Na1+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaC2NO3 by Materials Project

NaC2NO3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of two NaC2NO3 sheets oriented in the (0, 0, 1) direction. Na1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Na–O bond distances ranging from 2.35–2.81 Å. There are two inequivalent C4+ sites. In the first C4+ site, C4+ is bonded in a linear geometry to one N3- and one O2- atom. The C–N bond length is 1.22 Å. The C–O bond length is 1.18 Å. In the second C4+ site, C4+ is bonded in a trigonal planar geometry to one N3- and two O2- atoms. The C–N bond length is 1.44 Å. There is one shorter (1.26 Å) and one longer (1.27 Å) C–O bond length. N3- is bonded in a bent 120 degrees geometry to two C4+ atoms. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one C4+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one C4+ atom. In the third O2- site, O2- is bonded in a 1-coordinate geometry to three equivalent Na1+ and one C4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaC2(NO)4 by Materials Project

NaC2(NO)4 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one NaC2(NO)4 sheet oriented in the (1, 0, 0) direction. Na1+ is bonded in a 7-coordinate geometry to one N and six O2- atoms. The Na–N bond length is 2.48 Å. There are a spread of Na–O bond distances ranging from 2.26–3.07 Å. There are two inequivalent C+3.50+ sites. In the first C+3.50+ site, C+3.50+ is bonded in a trigonal planar geometry to two N and one O2- atom. There is one shorter (1.40 Å) and one longer (1.46 Å) C–N bond length. The C–O bond length is 1.24 Å. In the second C+3.50+ site, C+3.50+ is bonded in a trigonal planar geometry to three N atoms. There are a spread of C–N bond distances ranging from 1.31–1.43 Å. There are four inequivalent N sites. In the first N site, N is bonded in a distorted water-like geometry to one C+3.50+ and one N atom. The N–N bond length is 1.29 Å. In the second N site, N is bonded in a 1-coordinate geometry to one Na1+, one C+3.50+, and one N atom. In the third N site, N is bonded in a water-like geometry to two C+3.50+ atoms. In the fourth N site, N is bonded in a trigonal planar geometry to one C+3.50+ and two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two equivalent Na1+ and one N atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one Na1+ and one N atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Na1+ and one O2- atom. The O–O bond length is 1.24 Å. In the fourth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Na1+ and one C+3.50+ atom.

36 MATERIALS SCIENCE↗