Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Mo3O8”

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.

6 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Mo3O8 by Materials Project

Mo3O8 crystallizes in the monoclinic Cm space group. The structure is two-dimensional and consists of two Mo3O8 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Mo+5.33+ sites. In the first Mo+5.33+ site, Mo+5.33+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 1.94–2.12 Å. In the second Mo+5.33+ site, Mo+5.33+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 1.90–2.07 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Mo+5.33+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two Mo+5.33+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two equivalent Mo+5.33+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to two Mo+5.33+ atoms. In the fifth O2- site, O2- is bonded in a distorted T-shaped geometry to three Mo+5.33+ atoms. In the sixth O2- site, O2- is bonded in a distorted T-shaped geometry to three Mo+5.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Zn(Mo3O8)2 by Materials Project

Zn(Mo3O8)2 crystallizes in the trigonal P3m1 space group. The structure is two-dimensional and consists of one Zn(Mo3O8)2 sheet oriented in the (0, 0, 1) direction. there are two inequivalent Mo5+ sites. In the first Mo5+ site, Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share corners with two equivalent ZnO6 octahedra and edges with four equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are a spread of Mo–O bond distances ranging from 1.94–2.09 Å. In the second Mo5+ site, Mo5+ is bonded to six O2- atoms to form MoO6 octahedra that share an edgeedge with one ZnO6 octahedra and edges with four equivalent MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 1.95–2.09 Å. Zn2+ is bonded to six O2- atoms to form distorted ZnO6 octahedra that share corners with six equivalent MoO6 octahedra and edges with three equivalent MoO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are three shorter (2.13 Å) and three longer (2.22 Å) Zn–O bond lengths. There are eight inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mo5+ atoms. In the second O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Mo5+ atoms. In the third O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mo5+ atoms. In the fourth O2- site, O2- is bonded in a distorted T-shaped geometry to three equivalent Mo5+ atoms. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Mo5+ and one Zn2+ atom. In the sixth O2- site, O2- is bonded in a water-like geometry to two equivalent Mo5+ atoms. In the seventh O2- site, O2- is bonded in a trigonal planar geometry to two equivalent Mo5+ and one Zn2+ atom. In the eighth O2- site, O2- is bonded in a water-like geometry to two equivalent Mo5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mo3O8 by Materials Project

Mo3O8 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Mo3O8 sheets oriented in the (1, 0, 0) direction. there are two inequivalent Mo+5.33+ sites. In the first Mo+5.33+ site, Mo+5.33+ is bonded to six O2- atoms to form edge-sharing MoO6 octahedra. There is two shorter (1.94 Å) and four longer (1.96 Å) Mo–O bond length. In the second Mo+5.33+ site, Mo+5.33+ is bonded to six O2- atoms to form distorted edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 1.92–2.23 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to two equivalent Mo+5.33+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to three Mo+5.33+ atoms. In the third O2- site, O2- is bonded in a water-like geometry to two Mo+5.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Mo3O8 by Materials Project

Mo3O8 crystallizes in the monoclinic C2/m space group. The structure is two-dimensional and consists of two Mo3O8 sheets oriented in the (0, 0, 1) direction. there are two inequivalent Mo+5.33+ sites. In the first Mo+5.33+ site, Mo+5.33+ is bonded to six O2- atoms to form distorted edge-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 1.88–2.27 Å. In the second Mo+5.33+ site, Mo+5.33+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Mo–O bond distances ranging from 1.80–2.38 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted water-like geometry to two Mo+5.33+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent Mo+5.33+ atoms. In the third O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Mo+5.33+ atoms. In the fourth O2- site, O2- is bonded in a water-like geometry to two Mo+5.33+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to three Mo+5.33+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three Mo+5.33+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Pr16(Mo3O8)7 by Materials Project

Pr16(Mo3O8)7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are eight inequivalent Pr sites. In the first Pr site, Pr is bonded in a 9-coordinate geometry to seven O atoms. There are a spread of Pr–O bond distances ranging from 2.36–2.73 Å. In the second Pr site, Pr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Pr–O bond distances ranging from 2.38–3.03 Å. In the third Pr site, Pr is bonded in a 5-coordinate geometry to six O atoms. There are a spread of Pr–O bond distances ranging from 2.42–3.04 Å. In the fourth Pr site, Pr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Pr–O bond distances ranging from 2.39–2.86 Å. In the fifth Pr site, Pr is bonded in a 4-coordinate geometry to six O atoms. There are a spread of Pr–O bond distances ranging from 2.30–2.76 Å. In the sixth Pr site, Pr is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Pr–O bond distances ranging from 2.29–3.08 Å. In the seventh Pr site, Pr is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of Pr–O bond distances ranging from 2.34–3.23 Å. In the eighth Pr site, Pr is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Pr–O bond distances ranging from 2.35–2.70 Å. There are eleven inequivalent Mo sites. In the first Mo site, Mo is bonded to five O atoms to form MoO5 square pyramids that share a cornercorner with one MoO6 octahedra and corners with three MoO5 square pyramids. The corner-sharing octahedral tilt angles are 42°. There are a spread of Mo–O bond distances ranging from 2.00–2.15 Å. In the second Mo site, Mo is bonded to five O atoms to form MoO5 square pyramids that share a cornercorner with one MoO6 octahedra and corners with three MoO5 square pyramids. The corner-sharing octahedral tilt angles are 38°. There are a spread of Mo–O bond distances ranging from 2.00–2.13 Å. In the third Mo site, Mo is bonded to five O atoms to form a mixture of corner and edge-sharing MoO5 square pyramids. There are a spread of Mo–O bond distances ranging from 2.07–2.19 Å. In the fourth Mo site, Mo is bonded to five O atoms to form a mixture of corner and edge-sharing MoO5 square pyramids. There are a spread of Mo–O bond distances ranging from 1.99–2.14 Å. In the fifth Mo site, Mo is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Mo–O bond distances ranging from 2.06–2.15 Å. In the sixth Mo site, Mo is bonded to five O atoms to form corner-sharing MoO5 square pyramids. There are a spread of Mo–O bond distances ranging from 1.98–2.15 Å. In the seventh Mo site, Mo is bonded to five O atoms to form MoO5 square pyramids that share a cornercorner with one MoO6 octahedra and corners with three MoO5 square pyramids. The corner-sharing octahedral tilt angles are 41°. There are a spread of Mo–O bond distances ranging from 2.11–2.16 Å. In the eighth Mo site, Mo is bonded to five O atoms to form a mixture of corner and edge-sharing MoO5 square pyramids. There are a spread of Mo–O bond distances ranging from 2.06–2.15 Å. In the ninth Mo site, Mo is bonded to five O atoms to form a mixture of corner and edge-sharing MoO5 square pyramids. There are a spread of Mo–O bond distances ranging from 2.02–2.16 Å. In the tenth Mo site, Mo is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Mo–O bond distances ranging from 2.08–2.20 Å. In the eleventh Mo site, Mo is bonded to six O atoms to form corner-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.06–2.11 Å. There are twenty-eight inequivalent O sites. In the first O site, O is bonded to two Pr and two Mo atoms to form OPr2Mo2 trigonal pyramids that share corners with five OPr3Mo tetrahedra, corners with two equivalent OPr2Mo3 trigonal bipyramids, a cornercorner with one OPr2Mo2 trigonal pyramid, an edgeedge with one OPr3Mo tetrahedra, and an edgeedge with one OPr2Mo2 trigonal pyramid. In the second O site, O is bonded to two Pr and two Mo atoms to form OPr2Mo2 trigonal pyramids that share corners with five OPr3Mo tetrahedra, a cornercorner with one OPr2Mo3 trigonal bipyramid, a cornercorner with one OPr2Mo2 trigonal pyramid, and an edgeedge with one OPr2Mo2 trigonal pyramid. In the third O site, O is bonded in a 2-coordinate geometry to one Pr and two Mo atoms. In the fourth O site, O is bonded in a 5-coordinate geometry to four Pr and one Mo atom. In the fifth O site, O is bonded in a 4-coordinate geometry to two Pr and two Mo atoms. In the sixth O site, O is bonded to two Pr and two Mo atoms to form distorted OPr2Mo2 trigonal pyramids that share corners with five OPr3Mo tetrahedra, a cornercorner with one OPr2Mo2 trigonal pyramid, an edgeedge with one OPr2Mo2 tetrahedra, an edgeedge with one OPr2Mo3 trigonal bipyramid, and an edgeedge with one OPr2Mo2 trigonal pyramid. In the seventh O site, O is bonded to two Pr and two Mo atoms to form OPr2Mo2 trigonal pyramids that share corners with five OPr4 tetrahedra, a cornercorner with one OPr2Mo2 trigonal pyramid, an edgeedge with one OPr2Mo3 trigonal bipyramid, and an edgeedge with one OPr2Mo2 trigonal pyramid. In the eighth O site, O is bonded to two Pr and two Mo atoms to form a mixture of distorted corner and edge-sharing OPr2Mo2 tetrahedra. In the ninth O site, O is bonded in a 4-coordinate geometry to one Pr and three Mo atoms. In the tenth O site, O is bonded to two Pr and three Mo atoms to form distorted OPr2Mo3 trigonal bipyramids that share corners with two OPr2Mo2 tetrahedra, corners with three OPr2Mo2 trigonal pyramids, edges with three OPr3Mo tetrahedra, and edges with two OPr2Mo2 trigonal pyramids. In the eleventh O site, O is bonded to three Pr and one Mo atom to form distorted OPr3Mo tetrahedra that share corners with four OPr4 tetrahedra, corners with four OPr2Mo2 trigonal pyramids, edges with two OPr3Mo tetrahedra, and an edgeedge with one OPr2Mo3 trigonal bipyramid. In the twelfth O site, O is bonded to three Pr and one Mo atom to form OPr3Mo tetrahedra that share corners with five OPr4 tetrahedra, a cornercorner with one OPr2Mo2 trigonal pyramid, an edgeedge with one OPr3Mo tetrahedra, an edgeedge with one OPr2Mo3 trigonal bipyramid, and an edgeedge with one OPr2Mo2 trigonal pyramid. In the thirteenth O site, O is bonded to four Pr atoms to form distorted OPr4 tetrahedra that share corners with eight OPr3Mo tetrahedra, corners with five OPr2Mo2 trigonal pyramids, and an edgeedge with one OPr2Mo3 trigonal bipyramid. In the fourteenth O site, O is bonded to four Pr atoms to form OPr4 tetrahedra that share corners with nine OPr3Mo tetrahedra and corners with three OPr2Mo2 trigonal pyramids. In the fifteenth O site, O is bonded in a distorted L-shaped geometry to one Pr and two Mo atoms. In the sixteenth O site, O is bonded to two Pr and two Mo atoms to form distorted OPr2Mo2 tetrahedra that share corners with four OPr4 tetrahedra, a cornercorner with one OPr2Mo2 trigonal pyramid, and edges with two OPr2Mo2 tetrahedra. In the seventeenth O site, O is bonded to two Pr and two Mo atoms to form distorted OPr2Mo2 tetrahedra that share corners with four OPr4 tetrahedra, a cornercorner with one OPr2Mo3 trigonal bipyramid, corners with two OPr2Mo2 trigonal pyramids, and an edgeedge with one OPr2Mo2 tetrahedra. In the eighteenth O site, O is bonded in a distorted T-shaped geometry to one Pr and two Mo atoms. In the nineteenth O site, O is bonded in a 4-coordinate geometry to two Pr and two Mo atoms. In the twentieth O site, O is bonded to two Pr and two Mo atoms to form distorted corner-sharing OPr2Mo2 tetrahedra. In the twenty-first O site, O is bonded in a distorted T-shaped geometry to two Pr and two Mo atoms. In the twenty-second O site, O is bonded in a distorted trigonal non-coplanar geometry to one Pr and two Mo atoms. In the twenty-third O site, O is bonded in a 3-coordinate geometry to one Pr and two Mo atoms. In the twenty-fourth O site, O is bonded in a 5-coordinate geometry to two Pr and three Mo atoms. In the twenty-fifth O site, O is bonded in a rectangular see-saw-like geometry to one Pr and three Mo atoms. In the twenty-sixth O site, O is bonded to three Pr and one Mo atom to form OPr3Mo tetrahedra that share corners with seven OPr3Mo tetrahedra, a cornercorner with one OPr2Mo3 trigonal bipyramid, corners with two OPr2Mo2 trigonal pyramids, and an edgeedge with one OPr3Mo tetrahedra. In the twenty-seventh O site, O is bonded in a 4-coordinate geometry to three Pr and one Mo atom. In the twenty-eighth O site, O is bonded in a 4-coordinate geometry to two Pr and two Mo atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on La16(Mo3O8)7 by Materials Project

La16(Mo3O8)7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are eight inequivalent La sites. In the first La site, La is bonded in a 10-coordinate geometry to ten O atoms. There are a spread of La–O bond distances ranging from 2.37–3.22 Å. In the second La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.36–3.02 Å. In the third La site, La is bonded in a 2-coordinate geometry to six O atoms. There are a spread of La–O bond distances ranging from 2.34–2.87 Å. In the fourth La site, La is bonded in a 5-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.39–3.01 Å. In the fifth La site, La is bonded in a 4-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.35–3.03 Å. In the sixth La site, La is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of La–O bond distances ranging from 2.29–2.90 Å. In the seventh La site, La is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of La–O bond distances ranging from 2.37–3.31 Å. In the eighth La site, La is bonded in a 5-coordinate geometry to seven O atoms. There are a spread of La–O bond distances ranging from 2.37–2.93 Å. There are eleven inequivalent Mo sites. In the first Mo site, Mo is bonded to five O atoms to form MoO5 square pyramids that share a cornercorner with one MoO6 octahedra and corners with three MoO5 square pyramids. The corner-sharing octahedral tilt angles are 39°. There are a spread of Mo–O bond distances ranging from 2.01–2.16 Å. In the second Mo site, Mo is bonded to five O atoms to form MoO5 square pyramids that share a cornercorner with one MoO6 octahedra and corners with three MoO5 square pyramids. The corner-sharing octahedral tilt angles are 35°. There are a spread of Mo–O bond distances ranging from 2.01–2.11 Å. In the third Mo site, Mo is bonded to five O atoms to form a mixture of edge and corner-sharing MoO5 square pyramids. There are a spread of Mo–O bond distances ranging from 2.08–2.17 Å. In the fourth Mo site, Mo is bonded to five O atoms to form a mixture of edge and corner-sharing MoO5 square pyramids. There are a spread of Mo–O bond distances ranging from 2.01–2.12 Å. In the fifth Mo site, Mo is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Mo–O bond distances ranging from 2.08–2.10 Å. In the sixth Mo site, Mo is bonded to five O atoms to form corner-sharing MoO5 square pyramids. There are a spread of Mo–O bond distances ranging from 1.99–2.19 Å. In the seventh Mo site, Mo is bonded to five O atoms to form MoO5 square pyramids that share a cornercorner with one MoO6 octahedra and corners with three MoO5 square pyramids. The corner-sharing octahedral tilt angles are 35°. There are a spread of Mo–O bond distances ranging from 2.03–2.14 Å. In the eighth Mo site, Mo is bonded to five O atoms to form a mixture of edge and corner-sharing MoO5 square pyramids. There are a spread of Mo–O bond distances ranging from 2.05–2.15 Å. In the ninth Mo site, Mo is bonded to five O atoms to form a mixture of edge and corner-sharing MoO5 square pyramids. There are a spread of Mo–O bond distances ranging from 2.01–2.17 Å. In the tenth Mo site, Mo is bonded in a rectangular see-saw-like geometry to four O atoms. There are a spread of Mo–O bond distances ranging from 2.08–2.14 Å. In the eleventh Mo site, Mo is bonded to six O atoms to form corner-sharing MoO6 octahedra. There are a spread of Mo–O bond distances ranging from 2.14–2.17 Å. There are twenty-eight inequivalent O sites. In the first O site, O is bonded to two La and two Mo atoms to form OLa2Mo2 trigonal pyramids that share corners with four OLa4 tetrahedra, an edgeedge with one OLa3Mo tetrahedra, and an edgeedge with one OLa2Mo2 trigonal pyramid. In the second O site, O is bonded to two La and two Mo atoms to form OLa2Mo2 trigonal pyramids that share corners with four OLa3Mo tetrahedra, a cornercorner with one OLa2Mo2 trigonal pyramid, an edgeedge with one OLa3Mo tetrahedra, and an edgeedge with one OLa2Mo2 trigonal pyramid. In the third O site, O is bonded in a distorted L-shaped geometry to two La and two Mo atoms. In the fourth O site, O is bonded in a 5-coordinate geometry to four La and one Mo atom. In the fifth O site, O is bonded in a 2-coordinate geometry to three La and two Mo atoms. In the sixth O site, O is bonded in a 4-coordinate geometry to two La and two Mo atoms. In the seventh O site, O is bonded to two La and two Mo atoms to form distorted OLa2Mo2 trigonal pyramids that share corners with five OLa4 tetrahedra and a cornercorner with one OLa2Mo2 trigonal pyramid. In the eighth O site, O is bonded in a 4-coordinate geometry to two La and two Mo atoms. In the ninth O site, O is bonded in a 4-coordinate geometry to one La and three Mo atoms. In the tenth O site, O is bonded in a 5-coordinate geometry to two La and three Mo atoms. In the eleventh O site, O is bonded in a 4-coordinate geometry to three La and one Mo atom. In the twelfth O site, O is bonded to three La and one Mo atom to form OLa3Mo tetrahedra that share corners with five OLa4 tetrahedra, a cornercorner with one OLa2Mo2 trigonal pyramid, an edgeedge with one OLa3Mo tetrahedra, and an edgeedge with one OLa2Mo2 trigonal pyramid. In the thirteenth O site, O is bonded to four La atoms to form OLa4 tetrahedra that share corners with seven OLa3Mo tetrahedra and corners with three OLa2Mo2 trigonal pyramids. In the fourteenth O site, O is bonded to four La atoms to form OLa4 tetrahedra that share corners with ten OLa3Mo tetrahedra and corners with three OLa2Mo2 trigonal pyramids. In the fifteenth O site, O is bonded in a distorted L-shaped geometry to one La and two Mo atoms. In the sixteenth O site, O is bonded to two La and two Mo atoms to form distorted OLa2Mo2 tetrahedra that share corners with four OLa4 tetrahedra and edges with two OLa2Mo2 tetrahedra. In the seventeenth O site, O is bonded to two La and two Mo atoms to form distorted OLa2Mo2 tetrahedra that share corners with four OLa4 tetrahedra, a cornercorner with one OLa2Mo2 trigonal pyramid, and an edgeedge with one OLa2Mo2 tetrahedra. In the eighteenth O site, O is bonded in a 2-coordinate geometry to one La and two Mo atoms. In the nineteenth O site, O is bonded to two La and two Mo atoms to form a mixture of distorted edge and corner-sharing OLa2Mo2 tetrahedra. In the twentieth O site, O is bonded to two La and two Mo atoms to form distorted corner-sharing OLa2Mo2 tetrahedra. In the twenty-first O site, O is bonded in a distorted T-shaped geometry to two La and two Mo atoms. In the twenty-second O site, O is bonded in a 4-coordinate geometry to two La and two Mo atoms. In the twenty-third O site, O is bonded in a 5-coordinate geometry to three La and two Mo atoms. In the twenty-fourth O site, O is bonded in a 3-coordinate geometry to one La and three Mo atoms. In the twenty-fifth O site, O is bonded in a rectangular see-saw-like geometry to one La and three Mo atoms. In the twenty-sixth O site, O is bonded to three La and one Mo atom to form OLa3Mo tetrahedra that share corners with six OLa3Mo tetrahedra, corners with two OLa2Mo2 trigonal pyramids, and an edgeedge with one OLa3Mo tetrahedra. In the twenty-seventh O site, O is bonded to three La and one Mo atom to form distorted OLa3Mo tetrahedra that share corners with four OLa4 tetrahedra, a cornercorner with one OLa2Mo2 trigonal pyramid, edges with two OLa3Mo tetrahedra, and an edgeedge with one OLa2Mo2 trigonal pyramid. In the twenty-eighth O site, O is bonded in a 4-coordinate geometry to two La and two Mo atoms.

36 MATERIALS SCIENCE↗