SEARCH · Engineering Papers

Results for “O-Pb-V”

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.

17 records

All sources NASA NTRS DOE OSTI

DOE OSTI2020

Materials Data on V6PbO11 by Materials Project

PbV6O11 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are four inequivalent V+3.33+ sites. In the first V+3.33+ site, V+3.33+ is bonded to five O2- atoms to form corner-sharing VO5 trigonal bipyramids. The corner-sharing octahedra tilt angles range from 40–57°. There are a spread of V–O bond distances ranging from 1.91–2.39 Å. In the second V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form VO6 octahedra that share corners with four VO6 octahedra, corners with two equivalent VO5 trigonal bipyramids, and edges with four equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 52–55°. There are a spread of V–O bond distances ranging from 1.95–2.05 Å. In the third V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra, corners with three equivalent VO5 trigonal bipyramids, and a faceface with one VO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are three shorter (2.04 Å) and three longer (2.07 Å) V–O bond lengths. In the fourth V+3.33+ site, V+3.33+ is bonded to six O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra, corners with three equivalent VO5 trigonal bipyramids, and a faceface with one VO6 octahedra. The corner-sharing octahedral tilt angles are 52°. There are three shorter (2.00 Å) and three longer (2.06 Å) V–O bond lengths. Pb2+ is bonded in a 12-coordinate geometry to twelve O2- atoms. There are a spread of Pb–O bond distances ranging from 2.52–3.23 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to three V+3.33+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three V+3.33+ and two equivalent Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+3.33+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a distorted trigonal pyramidal geometry to four V+3.33+ atoms. In the fifth O2- site, O2- is bonded in a distorted rectangular see-saw-like geometry to four V+3.33+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V2Pb4O9 by Materials Project

V2Pb4O9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are three inequivalent V5+ sites. In the first V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.74 Å) and three longer (1.75 Å) V–O bond length. In the second V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.76 Å. In the third V5+ site, V5+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.71–1.77 Å. There are six inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.28–2.71 Å. In the second Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.32–2.87 Å. In the third Pb2+ site, Pb2+ is bonded in a 3-coordinate geometry to three O2- atoms. There are a spread of Pb–O bond distances ranging from 2.31–2.38 Å. In the fourth Pb2+ site, Pb2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Pb–O bond distances ranging from 2.40–2.94 Å. In the fifth Pb2+ site, Pb2+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.40–2.91 Å. In the sixth Pb2+ site, Pb2+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.35–2.79 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the fourth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two equivalent Pb2+ atoms. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to one V5+ and two Pb2+ atoms. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Pb2+ atoms. In the eighth O2- site, O2- is bonded to four Pb2+ atoms to form edge-sharing OPb4 tetrahedra. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and two Pb2+ atoms. In the tenth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the eleventh O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and three Pb2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V2PbO6 by Materials Project

PbV2O6 crystallizes in the orthorhombic C222 space group. The structure is three-dimensional. there are two inequivalent V5+ sites. In the first V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There are a spread of V–O bond distances ranging from 1.68–1.86 Å. In the second V5+ site, V5+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. There is two shorter (1.69 Å) and two longer (1.84 Å) V–O bond length. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to four O2- atoms. There are two shorter (2.38 Å) and two longer (2.48 Å) Pb–O bond lengths. In the second Pb2+ site, Pb2+ is bonded in a 4-coordinate geometry to eight O2- atoms. There are four shorter (2.48 Å) and four longer (3.10 Å) Pb–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two V5+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a linear geometry to two equivalent V5+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a distorted single-bond geometry to one V5+ and one Pb2+ atom.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V6PbO15 by Materials Project

V6PbO15 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are six inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form distorted VO6 octahedra that share a cornercorner with one PbO7 pentagonal bipyramid. There are a spread of V–O bond distances ranging from 1.69–2.18 Å. In the second V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.63–2.29 Å. In the third V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.67–2.21 Å. In the fourth V+4.67+ site, V+4.67+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of V–O bond distances ranging from 1.65–2.38 Å. In the fifth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.66–2.02 Å. In the sixth V+4.67+ site, V+4.67+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.68–1.98 Å. Pb2+ is bonded to seven O2- atoms to form distorted PbO7 pentagonal bipyramids that share a cornercorner with one VO6 octahedra and edges with two equivalent PbO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Pb–O bond distances ranging from 2.41–2.80 Å. There are fifteen inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and one Pb2+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and one Pb2+ atom. In the third O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the fourth O2- site, O2- is bonded in a 3-coordinate geometry to three V+4.67+ atoms. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four V+4.67+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to four V+4.67+ atoms. In the seventh O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ and two equivalent Pb2+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and two equivalent Pb2+ atoms. In the ninth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the tenth O2- site, O2- is bonded in a distorted trigonal planar geometry to three V+4.67+ atoms. In the eleventh O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ atom. In the twelfth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and one Pb2+ atom. In the thirteenth O2- site, O2- is bonded in a distorted T-shaped geometry to three V+4.67+ atoms. In the fourteenth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three V+4.67+ atoms. In the fifteenth O2- site, O2- is bonded in a linear geometry to two V+4.67+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V2Pb3O8 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 V12PbO30 by Materials Project

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V2Pb2O7 by Materials Project

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V2Pb3O8 by Materials Project

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on VPbO4 by Materials Project

VPbO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. V4+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of V–O bond distances ranging from 1.73–1.76 Å. Pb4+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.39–2.67 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to one V4+ and two equivalent Pb4+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V4+ and two equivalent Pb4+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V4+ and two equivalent Pb4+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to one V4+ and two equivalent Pb4+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on VPbO3 by Materials Project

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V3Pb2O9 by Materials Project

Pb2V3O9 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are three inequivalent V+4.67+ sites. In the first V+4.67+ site, V+4.67+ is bonded to six O2- atoms to form distorted VO6 octahedra that share corners with two equivalent VO6 octahedra and corners with four VO4 tetrahedra. The corner-sharing octahedral tilt angles are 35°. There are a spread of V–O bond distances ranging from 1.71–2.20 Å. In the second V+4.67+ site, V+4.67+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 51–56°. There are a spread of V–O bond distances ranging from 1.70–1.80 Å. In the third V+4.67+ site, V+4.67+ is bonded to four O2- atoms to form corner-sharing VO4 tetrahedra. The corner-sharing octahedra tilt angles range from 34–43°. There are a spread of V–O bond distances ranging from 1.74–1.76 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.64–2.98 Å. In the second Pb2+ site, Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.60–3.04 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to two V+4.67+ and two Pb2+ atoms. In the second O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ and two Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two V+4.67+ and two Pb2+ atoms. In the fourth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.67+ and one Pb2+ atom. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two V+4.67+ and one Pb2+ atom. In the sixth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent V+4.67+ and one Pb2+ atom. In the seventh O2- site, O2- is bonded in a single-bond geometry to one V+4.67+ and two Pb2+ atoms. In the eighth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and three Pb2+ atoms. In the ninth O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and three Pb2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on VPbO2 by Materials Project

VPbO2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. V2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. There are two shorter (2.09 Å) and two longer (2.17 Å) V–O bond lengths. Pb2+ is bonded to six equivalent O2- atoms to form edge-sharing PbO6 octahedra. There are a spread of Pb–O bond distances ranging from 2.56–2.66 Å. O2- is bonded in a 5-coordinate geometry to two equivalent V2+ and three equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V3(PbO3)4 by Materials Project

Pb4(VO4)3 crystallizes in the cubic I-43d space group. The structure is three-dimensional. V+4.67+ is bonded in a tetrahedral geometry to four equivalent O2- atoms. All V–O bond lengths are 1.75 Å. Pb+2.50+ is bonded in a 6-coordinate geometry to six equivalent O2- atoms. There are three shorter (2.35 Å) and three longer (2.75 Å) Pb–O bond lengths. O2- is bonded in a 1-coordinate geometry to one V+4.67+ and two equivalent Pb+2.50+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on VPbO3 by Materials Project

PbVO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. V4+ is bonded to six equivalent O2- atoms to form VO6 octahedra that share corners with six equivalent VO6 octahedra and faces with eight equivalent PbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All V–O bond lengths are 1.97 Å. Pb2+ is bonded to twelve equivalent O2- atoms to form PbO12 cuboctahedra that share corners with twelve equivalent PbO12 cuboctahedra, faces with six equivalent PbO12 cuboctahedra, and faces with eight equivalent VO6 octahedra. All Pb–O bond lengths are 2.78 Å. O2- is bonded in a linear geometry to two equivalent V4+ and four equivalent Pb2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V3Pb5O12 by Materials Project

V3Pb5O12 crystallizes in the hexagonal P6_3/m space group. The structure is three-dimensional. V+4.67+ is bonded to four O2- atoms to form VO4 tetrahedra that share corners with four equivalent PbO6 pentagonal pyramids and an edgeedge with one PbO6 pentagonal pyramid. There are a spread of V–O bond distances ranging from 1.75–1.79 Å. There are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded to six O2- atoms to form distorted PbO6 pentagonal pyramids that share corners with four equivalent PbO6 pentagonal pyramids, corners with four equivalent VO4 tetrahedra, and an edgeedge with one VO4 tetrahedra. There are a spread of Pb–O bond distances ranging from 2.28–2.91 Å. In the second Pb2+ site, Pb2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Pb–O bond distances ranging from 2.49–3.09 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one V+4.67+ and three Pb2+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and three Pb2+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to one V+4.67+ and three Pb2+ atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V2PbO6 by Materials Project

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on V2Pb3O8 by Materials Project

36 MATERIALS SCIENCE↗