SEARCH · Engineering Papers

Results for “NiH3”

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.

SourceResearch connectionFrom yearThrough year

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

3 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on NiH3 by Materials Project

NiH3 is Chromium trichloride-like structured and crystallizes in the orthorhombic Cmcm space group. The structure is one-dimensional and consists of four NiH3 ribbons oriented in the (0, 0, 1) direction. Ni1+ is bonded in a 6-coordinate geometry to six H+0.33- atoms. All Ni–H bond lengths are 1.62 Å. There are two inequivalent H+0.33- sites. In the first H+0.33- site, H+0.33- is bonded in an L-shaped geometry to two equivalent Ni1+ atoms. In the second H+0.33- site, H+0.33- is bonded in an L-shaped geometry to two equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on ZrTi(NiH3)2 by Materials Project

ZrTi(NiH3)2 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Zr2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Zr–H bond distances ranging from 2.11–2.30 Å. Ti2+ is bonded in a 9-coordinate geometry to nine H1- atoms. There are a spread of Ti–H bond distances ranging from 1.99–2.25 Å. There are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded in a rectangular see-saw-like geometry to four H1- atoms. There is two shorter (1.68 Å) and two longer (1.72 Å) Ni–H bond length. In the second Ni1+ site, Ni1+ is bonded in a rectangular see-saw-like geometry to four H1- atoms. There is two shorter (1.64 Å) and two longer (1.72 Å) Ni–H bond length. There are four inequivalent H1- sites. In the first H1- site, H1- is bonded to two equivalent Zr2+, one Ti2+, and one Ni1+ atom to form HZr2TiNi tetrahedra that share corners with eight HZr2TiNi tetrahedra, corners with seven HZr2TiNi2 trigonal bipyramids, edges with four HZr2TiNi tetrahedra, and edges with two equivalent HZr2TiNi2 trigonal bipyramids. In the second H1- site, H1- is bonded to one Zr2+, two equivalent Ti2+, and one Ni1+ atom to form distorted HZrTi2Ni tetrahedra that share corners with eight HZr2TiNi tetrahedra, corners with seven HZr2TiNi2 trigonal bipyramids, edges with four HZr2TiNi tetrahedra, and edges with two equivalent HZrTi2Ni2 trigonal bipyramids. In the third H1- site, H1- is bonded to two equivalent Zr2+, one Ti2+, and two equivalent Ni1+ atoms to form HZr2TiNi2 trigonal bipyramids that share corners with fourteen HZr2TiNi tetrahedra, corners with four equivalent HZr2TiNi2 trigonal bipyramids, edges with four equivalent HZr2TiNi tetrahedra, and edges with two equivalent HZrTi2Ni2 trigonal bipyramids. In the fourth H1- site, H1- is bonded to one Zr2+, two equivalent Ti2+, and two equivalent Ni1+ atoms to form HZrTi2Ni2 trigonal bipyramids that share corners with fourteen HZr2TiNi tetrahedra, corners with four equivalent HZrTi2Ni2 trigonal bipyramids, edges with four equivalent HZrTi2Ni tetrahedra, and edges with two equivalent HZr2TiNi2 trigonal bipyramids.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NiH3C5NO6 by Materials Project

NiH3(CO2)3C2N crystallizes in the monoclinic Cc space group. The structure is three-dimensional and consists of four ch3nc molecules and one NiH3(CO2)3 framework. In the NiH3(CO2)3 framework, Ni2+ is bonded in an octahedral geometry to six O2- atoms. There are two shorter (2.02 Å) and four longer (2.04 Å) Ni–O bond lengths. There are three inequivalent C2+ sites. In the first C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. In the second C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. In the third C2+ site, C2+ is bonded in a trigonal planar geometry to one H1+ and two O2- atoms. The C–H bond length is 1.10 Å. Both C–O bond lengths are 1.27 Å. There are three inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the second H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. In the third H1+ site, H1+ is bonded in a single-bond geometry to one C2+ atom. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one C2+ atom. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one C2+ atom. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one C2+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one C2+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one C2+ atom. In the sixth O2- site, O2- is bonded in a bent 120 degrees geometry to one Ni2+ and one C2+ atom.

36 MATERIALS SCIENCE↗