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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.

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10 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on UF5 by Materials Project

UF5 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.02–2.36 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent U5+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to two equivalent U5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF5 by Materials Project

UF5 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U5+ is bonded to seven F1- atoms to form corner-sharing UF7 pentagonal bipyramids. There are a spread of U–F bond distances ranging from 2.01–2.34 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent U5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF3 by Materials Project

UF3 crystallizes in the hexagonal P6_3cm space group. The structure is three-dimensional. U3+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of U–F bond distances ranging from 2.41–2.83 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a 2-coordinate geometry to four equivalent U3+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent U3+ atoms. In the third F1- site, F1- is bonded in a trigonal planar geometry to three equivalent U3+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent U3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF5 by Materials Project

UF5 crystallizes in the tetragonal I4/m space group. The structure is one-dimensional and consists of two UF5 ribbons oriented in the (0, 0, 1) direction. U5+ is bonded to six F1- atoms to form corner-sharing UF6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.03 Å) and two longer (2.27 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U5+ atom. In the second F1- site, F1- is bonded in a linear geometry to two equivalent U5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2F9 by Materials Project

U2F9 crystallizes in the cubic I-43m space group. The structure is three-dimensional. U+4.50+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.16–2.48 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to two equivalent U+4.50+ atoms. In the second F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent U+4.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF6 by Materials Project

UF6 is beta Np structured and crystallizes in the orthorhombic Pnma space group. The structure is zero-dimensional and consists of four uranium hexafluoride molecules. U6+ is bonded in an octahedral geometry to six F1- atoms. There are five shorter (2.02 Å) and one longer (2.03 Å) U–F bond lengths. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF4 by Materials Project

UF4 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. there are two inequivalent U4+ sites. In the first U4+ site, U4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.23–2.33 Å. In the second U4+ site, U4+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of U–F bond distances ranging from 2.25–2.38 Å. There are seven inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two U4+ atoms. In the second F1- site, F1- is bonded in a distorted linear geometry to two U4+ atoms. In the third F1- site, F1- is bonded in a linear geometry to two equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a distorted linear geometry to two equivalent U4+ atoms. In the fifth F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two U4+ atoms. In the sixth F1- site, F1- is bonded in a distorted linear geometry to two U4+ atoms. In the seventh F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent U4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF6 by Materials Project

UF6 crystallizes in the triclinic P-1 space group. The structure is zero-dimensional and consists of four uranium hexafluoride molecules. U6+ is bonded in an octahedral geometry to six F1- atoms. There are five shorter (2.02 Å) and one longer (2.03 Å) U–F bond lengths. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the fourth F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the fifth F1- site, F1- is bonded in a single-bond geometry to one U6+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF3 by Materials Project

UF3 is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. U3+ is bonded to twelve F1- atoms to form a mixture of corner, edge, and face-sharing UF12 cuboctahedra. There are eight shorter (2.55 Å) and four longer (2.63 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 4-coordinate geometry to four equivalent U3+ atoms. In the second F1- site, F1- is bonded in a distorted square co-planar geometry to four equivalent U3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UF3 by Materials Project

UF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. U3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.52 Å) and six longer (2.91 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent U3+ and four equivalent F1- atoms to form a mixture of corner, edge, and face-sharing FU4F4 tetrahedra. All F–F bond lengths are 2.52 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent U3+ and eight equivalent F1- atoms.

36 MATERIALS SCIENCE↗