SEARCH · Engineering Papers
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.
MgH2 is Rutile structured and crystallizes in the tetragonal P4_2/mnm space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent H1- atoms to form a mixture of corner and edge-sharing MgH6 octahedra. The corner-sharing octahedral tilt angles are 50°. There is two shorter (1.95 Å) and four longer (1.96 Å) Mg–H bond length. H1- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.
MgH2 is Hydrophilite-like structured and crystallizes in the orthorhombic Pbcn space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent H1- atoms to form a mixture of edge and corner-sharing MgH6 octahedra. The corner-sharing octahedra tilt angles range from 52–53°. There are a spread of Mg–H bond distances ranging from 1.91–2.01 Å. H1- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.
MgH2 is Cotunnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mg2+ is bonded in a 9-coordinate geometry to seven H1- atoms. There are a spread of Mg–H bond distances ranging from 1.97–2.16 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Mg2+ atoms to form a mixture of edge and corner-sharing HMg4 tetrahedra. In the second H1- site, H1- is bonded in a 3-coordinate geometry to three equivalent Mg2+ atoms.
MgH2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pca2_1 space group. The structure is three-dimensional. Mg2+ is bonded in a 7-coordinate geometry to seven H1- atoms. There are a spread of Mg–H bond distances ranging from 1.91–2.20 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Mg2+ atoms to form a mixture of distorted corner and edge-sharing HMg4 tetrahedra. In the second H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.
MgH2 is Baddeleyite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. Mg2+ is bonded to seven H1- atoms to form a mixture of distorted corner and edge-sharing MgH7 pentagonal bipyramids. There are a spread of Mg–H bond distances ranging from 1.91–2.16 Å. There are two inequivalent H1- sites. In the first H1- site, H1- is bonded to four equivalent Mg2+ atoms to form a mixture of corner and edge-sharing HMg4 tetrahedra. In the second H1- site, H1- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.
MgH3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg is bonded in a body-centered cubic geometry to fourteen H atoms. There are eight shorter (2.04 Å) and six longer (2.35 Å) Mg–H bond lengths. There are two inequivalent H sites. In the first H site, H is bonded to six equivalent Mg atoms to form HMg6 octahedra that share corners with six equivalent HMg6 octahedra, corners with twenty-four equivalent HMg4 tetrahedra, edges with twelve equivalent HMg6 octahedra, and faces with eight equivalent HMg4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. In the second H site, H is bonded to four equivalent Mg atoms to form HMg4 tetrahedra that share corners with twelve equivalent HMg6 octahedra, corners with sixteen equivalent HMg4 tetrahedra, edges with six equivalent HMg4 tetrahedra, and faces with four equivalent HMg6 octahedra. The corner-sharing octahedral tilt angles are 55°.
MgH is Wurtzite structured and crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Mg is bonded to four equivalent H atoms to form corner-sharing MgH4 tetrahedra. There are three shorter (2.02 Å) and one longer (2.03 Å) Mg–H bond lengths. H is bonded to four equivalent Mg atoms to form corner-sharing HMg4 tetrahedra.
MgH2 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. Mg2+ is bonded to six equivalent H1- atoms to form corner-sharing MgH6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Mg–H bond lengths are 1.97 Å. H1- is bonded in a trigonal planar geometry to three equivalent Mg2+ atoms.