Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Mo-O-Sm”

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.

11 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sm3MoO7 by Materials Project

Sm3MoO7 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are twenty-four inequivalent Sm+2.67+ sites. In the first Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.94 Å. In the second Sm+2.67+ site, Sm+2.67+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two MoO6 octahedra, corners with three SmO7 pentagonal bipyramids, and edges with two MoO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Sm–O bond distances ranging from 2.28–2.58 Å. In the third Sm+2.67+ site, Sm+2.67+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two MoO6 octahedra, corners with two equivalent SmO7 pentagonal bipyramids, and edges with two MoO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Sm–O bond distances ranging from 2.28–2.58 Å. In the fourth Sm+2.67+ site, Sm+2.67+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two MoO6 octahedra, a cornercorner with one SmO7 pentagonal bipyramid, edges with two MoO6 octahedra, and edges with two equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 29–36°. There are a spread of Sm–O bond distances ranging from 2.32–2.57 Å. In the fifth Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.58 Å. In the sixth Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.58 Å. In the seventh Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.58 Å. In the eighth Sm+2.67+ site, Sm+2.67+ is bonded to seven O2- atoms to form SmO7 pentagonal bipyramids that share corners with two MoO6 octahedra, corners with two equivalent SmO7 pentagonal bipyramids, edges with two MoO6 octahedra, and edges with two equivalent SmO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Sm–O bond distances ranging from 2.28–2.57 Å. In the ninth Sm+2.67+ site, Sm+2.67+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two MoO6 octahedra, corners with two equivalent SmO7 pentagonal bipyramids, and edges with two MoO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Sm–O bond distances ranging from 2.28–2.58 Å. In the tenth Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.95 Å. In the eleventh Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.92 Å. In the twelfth Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.92 Å. In the thirteenth Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.94 Å. In the fourteenth Sm+2.67+ site, Sm+2.67+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two MoO6 octahedra, corners with two equivalent SmO7 pentagonal bipyramids, and edges with two MoO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Sm–O bond distances ranging from 2.28–2.58 Å. In the fifteenth Sm+2.67+ site, Sm+2.67+ is bonded to seven O2- atoms to form SmO7 pentagonal bipyramids that share corners with two MoO6 octahedra, corners with two equivalent SmO7 pentagonal bipyramids, and edges with two MoO6 octahedra. The corner-sharing octahedra tilt angles range from 39–44°. There are a spread of Sm–O bond distances ranging from 2.28–2.57 Å. In the sixteenth Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.58 Å. In the seventeenth Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.58 Å. In the eighteenth Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.58 Å. In the nineteenth Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.58 Å. In the twentieth Sm+2.67+ site, Sm+2.67+ is bonded to seven O2- atoms to form distorted SmO7 pentagonal bipyramids that share corners with two MoO6 octahedra, corners with two equivalent SmO7 pentagonal bipyramids, and edges with two MoO6 octahedra. The corner-sharing octahedra tilt angles range from 41–44°. There are a spread of Sm–O bond distances ranging from 2.28–2.58 Å. In the twenty-first Sm+2.67+ site, Sm+2.67+ is bonded to seven O2- atoms to form SmO7 pentagonal bipyramids that share corners with two MoO6 octahedra, corners with two equivalent SmO7 pentagonal bipyramids, and edges with two MoO6 octahedra. The corner-sharing octahedra tilt angles range from 40–44°. There are a spread of Sm–O bond distances ranging from 2.28–2.58 Å. In the twenty-second Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.92 Å. In the twenty-third Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.94 Å. In the twenty-fourth Sm+2.67+ site, Sm+2.67+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.32–2.88 Å. There are eight inequivalent Mo6+ sites. In the first Mo6+ site, Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with two SmO7 pentagonal bipyramids, and edges with three SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Mo–O bond distances ranging from 1.88–2.13 Å. In the second Mo6+ site, Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with two SmO7 pentagonal bipyramids, and edges with two SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Mo–O bond distances ranging from 1.88–2.13 Å. In the third Mo6+ site, Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with three SmO7 pentagonal bipyramids, and edges with two SmO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 40–41°. There are a spread of Mo–O bond distances ranging from 1.89–2.13 Å. In the fourth Mo6+ site, Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with two SmO7 pentagonal bipyramids, and edges with two SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Mo–O bond distances ranging from 1.88–2.13 Å. In the fifth Mo6+ site, Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with three SmO7 pentagonal bipyramids, and edges with two SmO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 40–41°. There are a spread of Mo–O bond distances ranging from 1.88–2.13 Å. In the sixth Mo6+ site, Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with two SmO7 pentagonal bipyramids, and edges with two SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Mo–O bond distances ranging from 1.89–2.13 Å. In the seventh Mo6+ site, Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with two SmO7 pentagonal bipyramids, and edges with three SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Mo–O bond distances ranging from 1.88–2.13 Å. In the eighth Mo6+ site, Mo6+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent MoO6 octahedra, corners with two SmO7 pentagonal bipyramids, and edges with two SmO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Mo–O bond distances ranging from 1.89–2.13 Å. There are fifty-six inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm+2.67+ atoms to form OSm4 tetrahedra that share corners with eight OSm3Mo tetrahedra, corners with two OSm3Mo trigonal pyramids, edges with two OSm4 tetrahedra, and an edgeedge with one OSm3Mo trigonal pyramid. In the second O2- site, O2- is bonded to four Sm+2.67+ atoms to form OSm4 tetrahedra that share corners with eight OSm3Mo tetrahedra, corners with two OSm3Mo trigonal pyramids, edges with two OSm4 tetrahedra, and an edgeedge with one OSm3Mo trigonal pyramid. In the third O2- site, O2- is bonded to four Sm+2.67+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the fourth O2- site, O2- is bonded to four Sm+2.67+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to two Sm+2.67+ and two Mo6+ atoms. In the sixth O2- site, O2- is bonded in a 4-coordinate geometry to two Sm+2.67+ and two Mo6+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to two Sm+2.67+ and one Mo6+ atom. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to two Sm+2.67+ and one Mo6+ atom. In the ninth O2- site, O2- is bonded to three Sm+2.67+ and one Mo6+ atom to form distorted OSm3Mo trigonal pyramids that share corners with four OSm4 tetrahedra and edges with four OSm3Mo tetrahedra. In the tenth O2- site, O2- is bonded to three Sm+2.67+ and one Mo6+ atom to form distorted OSm3Mo trigonal pyramids that share corners with four OSm4 tetrahedra and edges with four OSm3Mo tetrahedra. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to three Sm+2.67+ and one Mo6+ atom. In the twelfth O2- site, O2- is bonded in a 4-coordinate geometry to three Sm+2.67+ and one Mo6+ atom. In the thirteenth O2- site, O2- is bonded to three Sm+2.67+ and one Mo6+ atom to form distorted OSm3Mo tetrahedra that share corners with four OSm4 tetrahedra, edges with two OSm4 tetrahedra, and edges with two OSm3Mo trigonal pyramids. In the fourteenth O2- site, O2- is bonded to three Sm+2.67+ and one Mo6+ atom to form distorted OSm3Mo tetrahedra that share corners with four OSm4 tetrahedra, edges with two OSm4 tetrahedra, and edges with two OSm3Mo trigonal pyramids. In the fifteenth O2- site, O2- is bonded to three Sm+2.67+ and one Mo6+ atom to form distorted OSm3Mo tetrahedra that share corners with four OSm4 tetrahedra, edges with two OSm4 tetrahedra, and edges with two OSm3Mo trigonal pyramids. In the sixteenth O2- site, O2- is bonded to three Sm+2.67+ and one Mo6+ atom to form distorted OSm3Mo tetrahedra that share corners with four OSm4 tetrahedra, edges with two OSm4 tetrahedra, and edges with two OSm3Mo trigonal pyramids. In the seventeenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sm+2.67+ and one Mo6+ atom. In the eighteenth O2- site, O2- is bonded in a 4-coordinate geometry to three Sm+2.67+ and one Mo6+ atom. In the nineteenth O2- site, O2- is bonded to three Sm+2.67+ and one Mo6+ atom to form a mixture of distorted edge

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Mo2O7 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 SmMoO5 by Materials Project

SmMoO5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.51 Å. Mo is bonded in a tetrahedral geometry to five O atoms. There are a spread of Mo–O bond distances ranging from 1.76–2.78 Å. There are five inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent Sm, one Mo, and one O atom. The O–O bond length is 1.52 Å. In the second O site, O is bonded in a distorted trigonal planar geometry to two equivalent Sm and one Mo atom. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Sm and one Mo atom. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Mo atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one Mo atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Mo8O45 by Materials Project

Sm2Mo8O41(O2)2 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of two hydrogen peroxide molecules and one Sm2Mo8O41 ribbon oriented in the (1, 0, 0) direction. In the Sm2Mo8O41 ribbon, Sm is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Sm–O bond distances ranging from 2.25–2.76 Å. There are four 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 1.71–2.33 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 1.71–2.47 Å. In the third 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 1.71–2.30 Å. In the fourth Mo site, Mo is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Mo–O bond distances ranging from 1.72–2.59 Å. There are twenty-one inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Sm atom. In the second O site, O is bonded in a bent 120 degrees geometry to one Sm and one O atom. The O–O bond length is 1.32 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Sm and one O atom. The O–O bond length is 1.34 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.26 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Mo atom. In the sixth O site, O is bonded in a bent 150 degrees geometry to one Sm and one Mo atom. In the seventh O site, O is bonded in a bent 150 degrees geometry to one Sm and one Mo atom. In the eighth O site, O is bonded in a single-bond geometry to one Mo atom. In the ninth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the tenth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the eleventh O site, O is bonded in a 3-coordinate geometry to three Mo atoms. In the twelfth O site, O is bonded in a single-bond geometry to one Mo atom. In the thirteenth O site, O is bonded in a linear geometry to two equivalent Mo atoms. In the fourteenth O site, O is bonded in a single-bond geometry to one Mo atom. In the fifteenth O site, O is bonded in a 4-coordinate geometry to four Mo atoms. In the sixteenth O site, O is bonded in a bent 120 degrees geometry to two Mo atoms. In the seventeenth O site, O is bonded in a distorted trigonal non-coplanar geometry to three Mo atoms. In the eighteenth O site, O is bonded in a single-bond geometry to one Mo atom. In the nineteenth O site, O is bonded in a single-bond geometry to one O atom. In the twentieth O site, O is bonded in a single-bond geometry to one O atom. The O–O bond length is 1.27 Å. In the twenty-first O site, O is bonded in a bent 120 degrees geometry to two O atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm2Mo2O7 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 Sm2MoO6 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 Sm2(MoO4)3 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 Sm2Mo4O15 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 Sm2Mo2O7 by Materials Project

Sm2Mo2O7 crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Sm3+ is bonded in a distorted hexagonal planar geometry to six equivalent O2- atoms. All Sm–O bond lengths are 2.32 Å. Mo4+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are six shorter (2.22 Å) and two longer (2.27 Å) Mo–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sm3+ and two equivalent Mo4+ atoms to form a mixture of edge and corner-sharing OSm2Mo2 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Mo4+ atoms to form a mixture of edge and corner-sharing OMo4 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sm(Mo4O7)2 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 SmMo5O8 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↗