SEARCH · Engineering Papers

Results for “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.

SourceResearch connectionFrom yearThrough year

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

35 records · Page 2

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on NiO2 by Materials Project

NiO2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twelve inequivalent Ni4+ sites. In the first Ni4+ site, Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share a cornercorner with one NiO4 tetrahedra and edges with five NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.84–1.92 Å. In the second Ni4+ site, Ni4+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 1.88 Å. In the third Ni4+ site, Ni4+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. There is five shorter (1.88 Å) and one longer (1.89 Å) Ni–O bond length. In the fourth Ni4+ site, Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share a cornercorner with one NiO4 tetrahedra and edges with five NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.84–1.92 Å. In the fifth Ni4+ site, Ni4+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 1.88 Å. In the sixth Ni4+ site, Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share a cornercorner with one NiO4 tetrahedra and edges with five NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.84–1.92 Å. In the seventh Ni4+ site, Ni4+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 1.88 Å. In the eighth Ni4+ site, Ni4+ is bonded to six O2- atoms to form edge-sharing NiO6 octahedra. All Ni–O bond lengths are 1.88 Å. In the ninth Ni4+ site, Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent NiO4 tetrahedra and edges with five NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.86–1.89 Å. In the tenth Ni4+ site, Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent NiO4 tetrahedra and edges with five NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.86–1.89 Å. In the eleventh Ni4+ site, Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with two equivalent NiO4 tetrahedra and edges with five NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.86–1.89 Å. In the twelfth Ni4+ site, Ni4+ is bonded to four O2- atoms to form corner-sharing NiO4 tetrahedra. The corner-sharing octahedra tilt angles range from 57–59°. There is three shorter (1.87 Å) and one longer (2.01 Å) Ni–O bond length. There are twenty-four inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two Ni4+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two Ni4+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three Ni4+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to two Ni4+ atoms. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to four Ni4+ atoms. In the eighth O2- site, O2- is bonded in a distorted T-shaped geometry to three Ni4+ atoms. In the ninth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the tenth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the eleventh O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the twelfth O2- site, O2- is bonded in a distorted T-shaped geometry to three Ni4+ atoms. In the thirteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the fourteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the fifteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the sixteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the seventeenth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the eighteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the nineteenth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the twentieth O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the twenty-first O2- site, O2- is bonded in a trigonal planar geometry to three Ni4+ atoms. In the twenty-second O2- site, O2- is bonded in a trigonal planar geometry to three Ni4+ atoms. In the twenty-third O2- site, O2- is bonded in a 3-coordinate geometry to three Ni4+ atoms. In the twenty-fourth O2- site, O2- is bonded in a trigonal planar geometry to three Ni4+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ni5O4 by Materials Project

Ni5O4 crystallizes in the cubic P-43m space group. The structure is three-dimensional. there are two inequivalent Ni+1.60+ sites. In the first Ni+1.60+ site, Ni+1.60+ is bonded to six equivalent O2- atoms to form distorted NiO6 octahedra that share corners with six equivalent NiO6 octahedra, corners with three equivalent NiO4 tetrahedra, edges with twelve equivalent NiO6 octahedra, and a faceface with one NiO4 tetrahedra. The corner-sharing octahedral tilt angles are 3°. There are three shorter (2.03 Å) and three longer (2.53 Å) Ni–O bond lengths. In the second Ni+1.60+ site, Ni+1.60+ is bonded to four equivalent O2- atoms to form a mixture of corner and face-sharing NiO4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. All Ni–O bond lengths are 2.15 Å. O2- is bonded in a 7-coordinate geometry to seven Ni+1.60+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NiO by Materials Project

NiO crystallizes in the orthorhombic Cmmm space group. The structure is one-dimensional and consists of two NiO ribbons oriented in the (0, 0, 1) direction. Ni2+ is bonded in a linear geometry to two equivalent O2- atoms. Both Ni–O bond lengths are 1.72 Å. O2- is bonded in a linear geometry to two equivalent Ni2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ni5O4 by Materials Project

Ni5O4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Ni+1.60+ sites. In the first Ni+1.60+ site, Ni+1.60+ is bonded to five equivalent O2- atoms to form a mixture of corner and edge-sharing NiO5 square pyramids. There are a spread of Ni–O bond distances ranging from 2.06–2.16 Å. In the second Ni+1.60+ site, Ni+1.60+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ni–O bond lengths are 2.10 Å. O2- is bonded to six Ni+1.60+ atoms to form a mixture of corner and edge-sharing ONi6 octahedra. The corner-sharing octahedra tilt angles range from 0–5°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ni2O3 by Materials Project

Ni2O3 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent Ni3+ sites. In the first Ni3+ site, Ni3+ is bonded to four O2- atoms to form corner-sharing NiO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 1.80–1.90 Å. In the second Ni3+ site, Ni3+ is bonded to four O2- atoms to form corner-sharing NiO4 tetrahedra. There are a spread of Ni–O bond distances ranging from 1.82–1.89 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Ni3+ atoms. In the second O2- site, O2- is bonded in a trigonal non-coplanar geometry to three Ni3+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two Ni3+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ni2O5 by Materials Project

Ni2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Ni is bonded to six O atoms to form a mixture of edge and corner-sharing NiO6 octahedra. The corner-sharing octahedra tilt angles range from 47–65°. There are a spread of Ni–O bond distances ranging from 1.84–2.13 Å. There are three inequivalent O sites. In the first O site, O is bonded in a trigonal planar geometry to three equivalent Ni atoms. In the second O site, O is bonded in a bent 120 degrees geometry to two equivalent Ni atoms. In the third O site, O is bonded in a trigonal planar geometry to two equivalent Ni and one O atom. The O–O bond length is 1.31 Å.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ni4O3 by Materials Project

Ni4O3 crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ni+1.50+ sites. In the first Ni+1.50+ site, Ni+1.50+ is bonded in a square co-planar geometry to four equivalent O2- atoms. All Ni–O bond lengths are 2.08 Å. In the second Ni+1.50+ site, Ni+1.50+ is bonded to six equivalent O2- atoms to form corner-sharing NiO6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Ni–O bond lengths are 2.08 Å. O2- is bonded to six Ni+1.50+ atoms to form a mixture of corner and edge-sharing ONi6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NiO2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ni4O by Materials Project

Ni4O crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. there are two inequivalent Ni sites. In the first Ni site, Ni is bonded to twelve equivalent Ni atoms to form NiNi12 cuboctahedra that share corners with twelve equivalent NiNi12 cuboctahedra, faces with six equivalent NiNi12 cuboctahedra, and faces with eight equivalent ONi6 octahedra. All Ni–Ni bond lengths are 2.73 Å. In the second Ni site, Ni is bonded in a linear geometry to four equivalent Ni and two equivalent O atoms. Both Ni–O bond lengths are 1.93 Å. O is bonded to six equivalent Ni atoms to form ONi6 octahedra that share corners with six equivalent ONi6 octahedra and faces with eight equivalent NiNi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ni6O7 by Materials Project

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ni5O11 by Materials Project

Ni5O11 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are three inequivalent Ni sites. In the first Ni site, Ni is bonded to six O atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.87–1.90 Å. In the second Ni site, Ni is bonded to six O atoms to form edge-sharing NiO6 octahedra. There is four shorter (1.88 Å) and two longer (1.89 Å) Ni–O bond length. In the third Ni site, Ni is bonded to six O atoms to form edge-sharing NiO6 octahedra. There are a spread of Ni–O bond distances ranging from 1.89–2.05 Å. There are six inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three Ni atoms. In the second O site, O is bonded in a distorted T-shaped geometry to three Ni atoms. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to three Ni atoms. In the fourth O site, O is bonded in a distorted T-shaped geometry to three Ni atoms. In the fifth O site, O is bonded in a 4-coordinate geometry to three Ni and one O atom. The O–O bond length is 1.66 Å. In the sixth O site, O is bonded in a linear geometry to two equivalent O atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on Ni3O4 by Materials Project

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on NiO3 by Materials Project

NiO3 crystallizes in the orthorhombic Cmmm space group. The structure is two-dimensional and consists of two water molecules and one NiO2 sheet oriented in the (0, 0, 1) direction. In the NiO2 sheet, Ni is bonded in a distorted rectangular see-saw-like geometry to four equivalent O atoms. All Ni–O bond lengths are 1.81 Å. O is bonded in a linear geometry to two equivalent Ni atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020