Search NASA⌕ Search

SEARCH · Search NASA

Results for “Li-N-Na”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

9 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NaLi2N by Materials Project

NaLi2N is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent Li1+ and six equivalent N3- atoms. All Na–Li bond lengths are 2.35 Å. All Na–N bond lengths are 2.71 Å. Li1+ is bonded to four equivalent Na1+ and four equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing LiNa4N4 tetrahedra. All Li–N bond lengths are 2.35 Å. N3- is bonded in a distorted body-centered cubic geometry to six equivalent Na1+ and eight equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Li3N2 by Materials Project

Na3Li3N2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted trigonal non-coplanar geometry to three N3- atoms. There are one shorter (2.56 Å) and two longer (2.61 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are two shorter (2.53 Å) and one longer (2.67 Å) Na–N bond lengths. In the third Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are one shorter (2.40 Å) and two longer (2.44 Å) Na–N bond lengths. There are three inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a linear geometry to two equivalent N3- atoms. There is one shorter (1.92 Å) and one longer (1.94 Å) Li–N bond length. In the second Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are one shorter (2.21 Å) and two longer (2.49 Å) Li–N bond lengths. In the third Li1+ site, Li1+ is bonded in a linear geometry to two equivalent N3- atoms. There is one shorter (1.92 Å) and one longer (1.95 Å) Li–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 8-coordinate geometry to five Na1+ and three Li1+ atoms. In the second N3- site, N3- is bonded to four Na1+ and four Li1+ atoms to form a mixture of distorted edge and corner-sharing NNa4Li4 hexagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaLi5N2 by Materials Project

NaLi5N2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Na1+ is bonded in a 8-coordinate geometry to eight equivalent Li1+ and six N3- atoms. All Na–Li bond lengths are 2.29 Å. All Na–N bond lengths are 2.62 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to two equivalent Na1+, two equivalent Li1+, and four N3- atoms to form a mixture of distorted edge, face, and corner-sharing LiNa2Li2N4 tetrahedra. Both Li–Li bond lengths are 2.25 Å. There are two shorter (2.25 Å) and two longer (2.29 Å) Li–N bond lengths. In the second Li1+ site, Li1+ is bonded in a 2-coordinate geometry to eight equivalent Li1+ and six N3- atoms. All Li–N bond lengths are 2.62 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted body-centered cubic geometry to two equivalent Na1+ and twelve Li1+ atoms. In the second N3- site, N3- is bonded in a distorted body-centered cubic geometry to four equivalent Na1+ and ten Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na5LiN2 by Materials Project

Na5LiN2 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are four inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. There are two shorter (2.53 Å) and two longer (2.62 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded in a 2-coordinate geometry to two equivalent Li1+ and two equivalent N3- atoms. There are one shorter (2.45 Å) and one longer (2.63 Å) Na–Li bond lengths. There are one shorter (2.68 Å) and one longer (2.69 Å) Na–N bond lengths. In the third Na1+ site, Na1+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. There are two shorter (2.75 Å) and two longer (2.77 Å) Na–N bond lengths. In the fourth Na1+ site, Na1+ is bonded to four equivalent N3- atoms to form a mixture of distorted edge and corner-sharing NaN4 tetrahedra. There are two shorter (2.71 Å) and two longer (2.81 Å) Na–N bond lengths. Li1+ is bonded in a 4-coordinate geometry to four equivalent Na1+ and four equivalent N3- atoms. There are two shorter (2.44 Å) and two longer (2.68 Å) Li–N bond lengths. N3- is bonded in a 10-coordinate geometry to eight Na1+ and two equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaLi2N by Materials Project

NaLi2N crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Na1+ is bonded in a linear geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.38 Å. Li1+ is bonded in a trigonal planar geometry to three equivalent N3- atoms. All Li–N bond lengths are 2.11 Å. N3- is bonded to two equivalent Na1+ and six equivalent Li1+ atoms to form a mixture of edge and corner-sharing NNa2Li6 hexagonal bipyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na2LiN by Materials Project

Na2LiN crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 1-coordinate geometry to four equivalent Na1+, four equivalent Li1+, and five equivalent N3- atoms. All Na–Na bond lengths are 2.74 Å. All Na–Li bond lengths are 2.39 Å. There are one shorter (2.51 Å) and four longer (2.89 Å) Na–N bond lengths. In the second Na1+ site, Na1+ is bonded to four equivalent Na1+ and four equivalent N3- atoms to form a mixture of distorted face and edge-sharing NaNa4N4 tetrahedra. All Na–N bond lengths are 2.72 Å. Li1+ is bonded in a distorted body-centered cubic geometry to four equivalent Na1+ and four equivalent N3- atoms. All Li–N bond lengths are 2.40 Å. N3- is bonded in a 9-coordinate geometry to nine Na1+ and four equivalent Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na3Li3N2 by Materials Project

NaLi(NaLiN)2 crystallizes in the tetragonal P-4m2 space group. The structure is two-dimensional and consists of one NaLi sheet oriented in the (0, 0, 1) direction and one NaLiN sheet oriented in the (0, 0, 1) direction. In the NaLi sheet, Na1+ is bonded in a square co-planar geometry to four equivalent Li1+ atoms. All Na–Li bond lengths are 2.69 Å. Li1+ is bonded in a square co-planar geometry to four equivalent Na1+ atoms. In the NaLiN sheet, Na1+ is bonded in a distorted water-like geometry to two equivalent N3- atoms. Both Na–N bond lengths are 2.46 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a 4-coordinate geometry to four equivalent N3- atoms. All Li–N bond lengths are 2.10 Å. In the second Li1+ site, Li1+ is bonded to four equivalent N3- atoms to form distorted corner-sharing LiN4 tetrahedra. All Li–N bond lengths are 2.10 Å. N3- is bonded in a 6-coordinate geometry to two equivalent Na1+ and four Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NaLi5N2 by Materials Project

NaLi5N2 crystallizes in the monoclinic Pm space group. The structure is three-dimensional. Na1+ is bonded in a 3-coordinate geometry to three N3- atoms. There are two shorter (2.53 Å) and one longer (2.55 Å) Na–N bond lengths. There are five inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded in a linear geometry to two equivalent N3- atoms. There is one shorter (1.93 Å) and one longer (1.94 Å) Li–N bond length. In the second Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are one shorter (2.21 Å) and two longer (2.29 Å) Li–N bond lengths. In the third Li1+ site, Li1+ is bonded in a distorted bent 150 degrees geometry to two equivalent N3- atoms. There is one shorter (1.93 Å) and one longer (1.97 Å) Li–N bond length. In the fourth Li1+ site, Li1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are two shorter (2.05 Å) and one longer (2.27 Å) Li–N bond lengths. In the fifth Li1+ site, Li1+ is bonded in a trigonal planar geometry to three N3- atoms. There are two shorter (2.10 Å) and one longer (2.16 Å) Li–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 8-coordinate geometry to one Na1+ and seven Li1+ atoms. In the second N3- site, N3- is bonded in a 8-coordinate geometry to two equivalent Na1+ and six Li1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Na5LiN2 by Materials Project

Na5LiN2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.57–2.63 Å. In the second Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.56–2.62 Å. In the third Na1+ site, Na1+ is bonded in a linear geometry to two equivalent N3- atoms. There are one shorter (2.19 Å) and one longer (2.20 Å) Na–N bond lengths. In the fourth Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are a spread of Na–N bond distances ranging from 2.56–2.62 Å. In the fifth Na1+ site, Na1+ is bonded in a distorted trigonal planar geometry to three N3- atoms. There are two shorter (2.56 Å) and one longer (2.63 Å) Na–N bond lengths. Li1+ is bonded in a linear geometry to two equivalent N3- atoms. There are one shorter (2.19 Å) and one longer (2.20 Å) Li–N bond lengths. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to six Na1+ and two equivalent Li1+ atoms to form a mixture of distorted corner and edge-sharing NNa6Li2 hexagonal bipyramids. In the second N3- site, N3- is bonded to eight Na1+ atoms to form distorted NNa8 hexagonal bipyramids that share corners with two equivalent NNa8 hexagonal bipyramids and edges with six NNa6Li2 hexagonal bipyramids.

36 MATERIALS SCIENCE↗