Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “H-Mg-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.

6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mg2NiH4 by Materials Project

Mg2NiH4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 7-coordinate geometry to seven H atoms. There are a spread of Mg–H bond distances ranging from 2.07–2.36 Å. In the second Mg site, Mg is bonded in a 4-coordinate geometry to four H atoms. There are two shorter (2.13 Å) and two longer (2.15 Å) Mg–H bond lengths. In the third Mg site, Mg is bonded in a 6-coordinate geometry to six H atoms. There are a spread of Mg–H bond distances ranging from 2.03–2.25 Å. Ni is bonded in a tetrahedral geometry to four H atoms. There are a spread of Ni–H bond distances ranging from 1.55–1.58 Å. There are four inequivalent H sites. In the first H site, H is bonded in a distorted see-saw-like geometry to three Mg and one Ni atom. In the second H site, H is bonded in a distorted rectangular see-saw-like geometry to three Mg and one Ni atom. In the third H site, H is bonded in a distorted see-saw-like geometry to three equivalent Mg and one Ni atom. In the fourth H site, H is bonded in a distorted rectangular see-saw-like geometry to three Mg and one Ni atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgNiH by Materials Project

MgNiH crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a square co-planar geometry to four equivalent H atoms. All Mg–H bond lengths are 2.18 Å. Ni is bonded in a linear geometry to two equivalent H atoms. Both Ni–H bond lengths are 1.63 Å. H is bonded to four equivalent Mg and two equivalent Ni atoms to form a mixture of edge and corner-sharing HMg4Ni2 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgNiH2 by Materials Project

MgNiH2.0 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to eight equivalent H atoms. All Mg–H bond lengths are 2.26 Å. Ni is bonded in a square co-planar geometry to four equivalent H atoms. All Ni–H bond lengths are 1.66 Å. H is bonded to four equivalent Mg and two equivalent Ni atoms to form a mixture of corner, edge, and face-sharing HMg4Ni2 octahedra. The corner-sharing octahedra tilt angles range from 0–63°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on MgNiH3 by Materials Project

MgNiH3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent H1- atoms to form MgH12 cuboctahedra that share corners with twelve equivalent MgH12 cuboctahedra, faces with six equivalent MgH12 cuboctahedra, and faces with eight equivalent NiH6 octahedra. All Mg–H bond lengths are 2.35 Å. Ni1+ is bonded to six equivalent H1- atoms to form NiH6 octahedra that share corners with six equivalent NiH6 octahedra and faces with eight equivalent MgH12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–H bond lengths are 1.66 Å. H1- is bonded in a distorted linear geometry to four equivalent Mg2+ and two equivalent Ni1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2NiH4 by Materials Project

Mg2NiH4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 8-coordinate geometry to eight H atoms. There are a spread of Mg–H bond distances ranging from 2.16–2.39 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a square co-planar geometry to four H atoms. There is two shorter (1.53 Å) and two longer (1.54 Å) Ni–H bond length. In the second Ni site, Ni is bonded in a square co-planar geometry to four H atoms. There is two shorter (1.54 Å) and two longer (1.55 Å) Ni–H bond length. There are four inequivalent H sites. In the first H site, H is bonded to four equivalent Mg and one Ni atom to form a mixture of distorted edge and corner-sharing HMg4Ni square pyramids. In the second H site, H is bonded in a 1-coordinate geometry to four equivalent Mg and one Ni atom. In the third H site, H is bonded to four equivalent Mg and one Ni atom to form a mixture of distorted edge, face, and corner-sharing HMg4Ni square pyramids. In the fourth H site, H is bonded to four equivalent Mg and one Ni atom to form a mixture of distorted edge, face, and corner-sharing HMg4Ni square pyramids.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mg2NiH2 by Materials Project

Mg2NiH2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Mg is bonded in a 4-coordinate geometry to four H atoms. There are a spread of Mg–H bond distances ranging from 2.22–2.24 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a linear geometry to two equivalent H atoms. Both Ni–H bond lengths are 1.54 Å. In the second Ni site, Ni is bonded in a linear geometry to two equivalent H atoms. Both Ni–H bond lengths are 1.53 Å. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Mg and one Ni atom to form a mixture of corner and edge-sharing HMg4Ni square pyramids. In the second H site, H is bonded to four equivalent Mg and one Ni atom to form a mixture of corner and edge-sharing HMg4Ni square pyramids.

36 MATERIALS SCIENCE↗