Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Mo-Ni-O”

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.

4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on NiMoO4 by Materials Project

NiMoO4 is zeta iron carbide-derived structured and crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. Mo6+ is bonded to six O2- atoms to form distorted MoO6 octahedra that share corners with eight equivalent NiO6 octahedra and edges with two equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are a spread of Mo–O bond distances ranging from 1.82–2.16 Å. Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with eight equivalent MoO6 octahedra and edges with two equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–56°. There are four shorter (2.07 Å) and two longer (2.12 Å) Ni–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Mo6+ and one Ni2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to one Mo6+ and two equivalent Ni2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni4Mo4O19 by Materials Project

Mo4Ni4O19 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are four inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with five NiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–62°. There are a spread of Mo–O bond distances ranging from 1.77–1.86 Å. In the second Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with five NiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–63°. There are a spread of Mo–O bond distances ranging from 1.77–1.86 Å. In the third Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with six NiO6 octahedra. The corner-sharing octahedra tilt angles range from 20–63°. There are a spread of Mo–O bond distances ranging from 1.75–1.85 Å. In the fourth Mo6+ site, Mo6+ is bonded to four O2- atoms to form MoO4 tetrahedra that share corners with six NiO6 octahedra. The corner-sharing octahedra tilt angles range from 21–63°. There are a spread of Mo–O bond distances ranging from 1.76–1.85 Å. There are four inequivalent Ni+3.50+ sites. In the first Ni+3.50+ site, Ni+3.50+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with five MoO4 tetrahedra and an edgeedge with one NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.87–2.15 Å. In the second Ni+3.50+ site, Ni+3.50+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with five MoO4 tetrahedra and an edgeedge with one NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.86–2.15 Å. In the third Ni+3.50+ site, Ni+3.50+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six MoO4 tetrahedra and edges with two NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.00–2.13 Å. In the fourth Ni+3.50+ site, Ni+3.50+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six MoO4 tetrahedra and edges with two NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 2.00–2.13 Å. There are nineteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Ni+3.50+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Ni+3.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Ni+3.50+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Ni+3.50+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ni+3.50+ atom. In the sixth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ni+3.50+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one Ni+3.50+ and one O2- atom. The O–O bond length is 2.88 Å. In the eighth O2- site, O2- is bonded in a single-bond geometry to one Ni+3.50+ and one O2- atom. The O–O bond length is 2.97 Å. In the ninth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one Ni+3.50+ atom. In the tenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one Ni+3.50+ atom. In the eleventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+, two Ni+3.50+, and one O2- atom. The O–O bond length is 3.09 Å. In the twelfth O2- site, O2- is bonded in a distorted trigonal planar geometry to one Mo6+ and two Ni+3.50+ atoms. In the thirteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ni+3.50+ atom. In the fourteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ni+3.50+ atom. In the fifteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ni+3.50+ atom. In the sixteenth O2- site, O2- is bonded in a bent 150 degrees geometry to one Mo6+ and one Ni+3.50+ atom. In the seventeenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one Ni+3.50+ atom. In the eighteenth O2- site, O2- is bonded in a bent 120 degrees geometry to one Mo6+ and one Ni+3.50+ atom. In the nineteenth O2- site, O2- is bonded in a 3-coordinate geometry to three O2- atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ni2Mo3O8 by Materials Project

Mo3Ni2O8 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Mo4+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent NiO6 octahedra, corners with three equivalent NiO4 tetrahedra, an edgeedge with one NiO6 octahedra, and edges with four equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are a spread of Mo–O bond distances ranging from 1.99–2.16 Å. There are two inequivalent Ni2+ sites. In the first Ni2+ site, Ni2+ is bonded to four O2- atoms to form NiO4 tetrahedra that share corners with three equivalent NiO6 octahedra and corners with nine equivalent MoO6 octahedra. The corner-sharing octahedra tilt angles range from 60–67°. There is three shorter (1.98 Å) and one longer (1.99 Å) Ni–O bond length. In the second Ni2+ site, Ni2+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MoO6 octahedra, corners with three equivalent NiO4 tetrahedra, and edges with three equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 42°. There are three shorter (2.05 Å) and three longer (2.15 Å) Ni–O bond lengths. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Mo4+ and two Ni2+ atoms to form a mixture of distorted edge and corner-sharing ONi2Mo2 tetrahedra. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Mo4+ and one Ni2+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Mo4+ atoms. In the fourth O2- site, O2- is bonded to three equivalent Mo4+ and one Ni2+ atom to form a mixture of distorted edge and corner-sharing ONiMo3 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on NiMo4O15 by Materials Project

Mo4NiO15 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent Mo sites. In the first Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.75–2.29 Å. In the second Mo site, Mo is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.78–2.22 Å. Ni is bonded in an octahedral geometry to six O atoms. There are four shorter (2.03 Å) and two longer (2.06 Å) Ni–O bond lengths. There are eight inequivalent O sites. In the first O site, O is bonded in a linear geometry to one Mo and one Ni atom. In the second O site, O is bonded in a linear geometry to one Mo and one Ni atom. In the third O site, O is bonded in a linear geometry to two equivalent Mo atoms. In the fourth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the fifth O site, O is bonded in a distorted T-shaped geometry to three Mo atoms. In the sixth O site, O is bonded in a linear geometry to two Mo atoms. In the seventh O site, O is bonded in a linear geometry to one Mo and one Ni atom. In the eighth O site, O is bonded in a single-bond geometry to one Mo atom.

36 MATERIALS SCIENCE↗