Search NASA⌕ Search

SEARCH · Search NASA

Results for “U3(HO5)2”

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.

3 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on U3(HO5)2 by Materials Project

U3(HO5)2 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing UO6 octahedra. There are a spread of U–O bond distances ranging from 1.89–2.33 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–35°. There are a spread of U–O bond distances ranging from 1.95–2.47 Å. In the third U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–36°. There are a spread of U–O bond distances ranging from 1.80–2.47 Å. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to two O2- atoms. There is one shorter (1.01 Å) and one longer (1.76 Å) H–O bond length. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two U6+ atoms. In the second O2- site, O2- is bonded in a distorted water-like geometry to two U6+ atoms. In the third O2- site, O2- is bonded in a distorted single-bond geometry to two U6+ and one H1+ atom. In the fourth O2- site, O2- is bonded in a 2-coordinate geometry to two U6+ and one H1+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to three U6+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three U6+ atoms. In the seventh O2- site, O2- is bonded in a linear geometry to two U6+ atoms. In the eighth O2- site, O2- is bonded in a linear geometry to two U6+ atoms. In the ninth O2- site, O2- is bonded in a bent 150 degrees geometry to one U6+ and one H1+ atom. In the tenth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U3(HO5)2 by Materials Project

U3(HO5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing UO6 octahedra. There are a spread of U–O bond distances ranging from 1.88–2.34 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 3–34°. There are a spread of U–O bond distances ranging from 1.83–2.45 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.99 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two U6+ atoms. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent U6+ and one H1+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three U6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two U6+ atoms. In the fifth O2- site, O2- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U3(HO5)2 by Materials Project

U3(HO5)2 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent U6+ sites. In the first U6+ site, U6+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing UO6 octahedra. There are a spread of U–O bond distances ranging from 1.89–2.28 Å. In the second U6+ site, U6+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 4–36°. There are a spread of U–O bond distances ranging from 1.96–2.52 Å. H1+ is bonded in a single-bond geometry to one O2- atom. The H–O bond length is 0.98 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to two U6+ atoms. In the second O2- site, O2- is bonded in a water-like geometry to two equivalent U6+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three U6+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two U6+ atoms. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one H1+ atom.

36 MATERIALS SCIENCE↗