Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “C-H-N-Ni”

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.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NiH20(C4N5)2 by Materials Project

NiH20(C4N5)2 crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two NiH20(C4N5)2 clusters. Ni2+ is bonded in a square co-planar geometry to four N3- atoms. All Ni–N bond lengths are 1.86 Å. There are four inequivalent C1+ sites. In the first C1+ site, C1+ is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.46 Å. There is two shorter (1.10 Å) and one longer (1.11 Å) C–H bond length. In the second C1+ site, C1+ is bonded to one N3- and three H1+ atoms to form corner-sharing CH3N tetrahedra. The C–N bond length is 1.46 Å. There is one shorter (1.09 Å) and two longer (1.10 Å) C–H bond length. In the third C1+ site, C1+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of C–N bond distances ranging from 1.33–1.38 Å. In the fourth C1+ site, C1+ is bonded in a trigonal planar geometry to three N3- atoms. There are a spread of C–N bond distances ranging from 1.34–1.39 Å. There are five inequivalent N3- sites. In the first N3- site, N3- is bonded in a trigonal planar geometry to three C1+ atoms. In the second N3- site, N3- is bonded in a distorted trigonal planar geometry to one Ni2+, one C1+, and one H1+ atom. The N–H bond length is 1.03 Å. In the third N3- site, N3- is bonded in a bent 120 degrees geometry to two C1+ atoms. In the fourth N3- site, N3- is bonded in a trigonal planar geometry to one C1+ and two H1+ atoms. There is one shorter (1.01 Å) and one longer (1.02 Å) N–H bond length. In the fifth N3- site, N3- is bonded in a distorted trigonal planar geometry to one Ni2+, one C1+, and one H1+ atom. The N–H bond length is 1.02 Å. There are ten inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the fourth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the fifth H1+ site, H1+ is bonded in a single-bond geometry to one N3- atom. In the sixth H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the seventh H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the eighth H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the ninth H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom. In the tenth H1+ site, H1+ is bonded in a single-bond geometry to one C1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiH36(C5N)12 by Materials Project

Ni(NH3)6(C)60(NH3)6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of six ammonia molecules, one fullerene molecule, and one Ni(NH3)6 cluster. In the Ni(NH3)6 cluster, Ni is bonded in an octahedral geometry to six N atoms. There are a spread of Ni–N bond distances ranging from 2.15–2.19 Å. There are three inequivalent N sites. In the first N site, N is bonded in a distorted trigonal non-coplanar geometry to one Ni and three H atoms. There is two shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the second N site, N is bonded in a distorted trigonal non-coplanar geometry to one Ni and three H atoms. There is two shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. In the third N site, N is bonded in a distorted trigonal non-coplanar geometry to one Ni and three H atoms. There is two shorter (1.02 Å) and one longer (1.03 Å) N–H bond length. There are nine inequivalent H sites. In the first H site, H is bonded in a single-bond geometry to one N atom. In the second H site, H is bonded in a single-bond geometry to one N atom. In the third H site, H is bonded in a single-bond geometry to one N atom. In the fourth H site, H is bonded in a single-bond geometry to one N atom. In the fifth H site, H is bonded in a single-bond geometry to one N atom. In the sixth H site, H is bonded in a single-bond geometry to one N atom. In the seventh H site, H is bonded in a single-bond geometry to one N atom. In the eighth H site, H is bonded in a single-bond geometry to one N atom. In the ninth H site, H is bonded in a single-bond geometry to one N atom.

36 MATERIALS SCIENCE↗