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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.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ni(N3O2)2 by Materials Project

NiO4N2(N2)2 is Cyanogen Chloride-derived structured and crystallizes in the monoclinic C2/m space group. The structure is zero-dimensional and consists of four nitrogen molecules and two NiO4N2 clusters. In each NiO4N2 cluster, Ni2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ni–O bond lengths are 2.02 Å. N1+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.22 Å) and one longer (1.29 Å) N–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Ni2+ and one N1+ atom. In the second O2- site, O2- is bonded in a single-bond geometry to one N1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni(NO3)2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni(N4O3)2 by Materials Project

Ni(N4O3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four raney alloy molecules and one N4O3 framework. In the N4O3 framework, there are two inequivalent N1+ sites. In the first N1+ site, N1+ is bonded to six equivalent O2- atoms to form corner-sharing NO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All N–O bond lengths are 1.96 Å. In the second N1+ site, N1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. All N–O bond lengths are 1.96 Å. O2- is bonded to six N1+ atoms to form a mixture of edge and corner-sharing ON6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni(NO4)2 by Materials Project

Ni(NO4)2 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one Ni(NO4)2 sheet oriented in the (1, 0, 0) direction. Ni is bonded in an octahedral geometry to six O atoms. There are a spread of Ni–O bond distances ranging from 1.76–2.22 Å. N is bonded in a trigonal planar geometry to three O atoms. There are a spread of N–O bond distances ranging from 1.24–1.31 Å. There are four inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Ni and one N atom. In the second O site, O is bonded in a single-bond geometry to one N atom. In the third O site, O is bonded in a bent 120 degrees geometry to one Ni and one N atom. In the fourth O site, O is bonded in a single-bond geometry to one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni(NO2)4 by Materials Project

Ni(NO2)4 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of two Ni(NO2)4 sheets oriented in the (1, 0, 0) direction. Ni4+ is bonded in an octahedral geometry to six O2- atoms. There are a spread of Ni–O bond distances ranging from 2.03–2.13 Å. There are two inequivalent N3+ sites. In the first N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.25 Å) and one longer (1.26 Å) N–O bond length. In the second N3+ site, N3+ is bonded in a bent 120 degrees geometry to two O2- atoms. There is one shorter (1.21 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 bent 120 degrees geometry to one Ni4+ and one N3+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni4+ and one N3+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one N3+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni4+ and one N3+ atom.

36 MATERIALS SCIENCE↗