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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on UOF4 by Materials Project

UOF4 crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. U6+ is bonded to one O2- and six F1- atoms to form distorted corner-sharing UOF6 pentagonal bipyramids. The U–O bond length is 1.82 Å. There are a spread of U–F bond distances ranging from 2.03–2.51 Å. O2- is bonded in a single-bond geometry to one U6+ atom. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent U6+ atoms. In the second F1- site, F1- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(OF)2 by Materials Project

UO2F2 crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three UO2F2 sheets oriented in the (0, 0, 1) direction. U6+ is bonded to two equivalent O2- and six equivalent F1- atoms to form distorted edge-sharing UO2F6 hexagonal bipyramids. Both U–O bond lengths are 1.78 Å. All U–F bond lengths are 2.45 Å. O2- is bonded in a single-bond geometry to one U6+ atom. F1- is bonded in a trigonal planar geometry to three equivalent U6+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UOF4 by Materials Project

UOF4 crystallizes in the trigonal R3m space group. The structure is three-dimensional. U6+ is bonded to one O2- and six F1- atoms to form corner-sharing UOF6 pentagonal bipyramids. The U–O bond length is 1.80 Å. There are a spread of U–F bond distances ranging from 1.97–2.32 Å. O2- is bonded in a single-bond geometry to one U6+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U6+ atoms. 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.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U(OF)2 by Materials Project

UO2F2 crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two UO2F2 ribbons oriented in the (0, 1, 0) direction. U6+ is bonded to four equivalent O2- and two equivalent F1- atoms to form distorted edge-sharing UO4F2 octahedra. All U–O bond lengths are 2.08 Å. Both U–F bond lengths are 2.09 Å. O2- is bonded in a distorted water-like geometry to two equivalent U6+ atoms. F1- is bonded in a single-bond geometry to one U6+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on U2O5F8 by Materials Project

(UOF4)4(O2)3 crystallizes in the orthorhombic Pnma space group. The structure is one-dimensional and consists of four trioxidane molecules and two UOF4 ribbons oriented in the (0, 0, 1) direction. In each UOF4 ribbon, there are two inequivalent U sites. In the first U site, U is bonded in a 5-coordinate geometry to two equivalent O and three F atoms. Both U–O bond lengths are 1.79 Å. There are a spread of U–F bond distances ranging from 2.08–2.35 Å. In the second U site, U is bonded in a distorted pentagonal bipyramidal geometry to seven F atoms. There are a spread of U–F bond distances ranging from 2.01–2.31 Å. O is bonded in a single-bond geometry to one U atom. There are six inequivalent F sites. In the first F site, F is bonded in a bent 150 degrees geometry to two U atoms. In the second F site, F is bonded in a bent 150 degrees geometry to two U atoms. In the third F site, F is bonded in a single-bond geometry to one U atom. In the fourth F site, F is bonded in a single-bond geometry to one U atom. In the fifth F site, F is bonded in a single-bond geometry to one U atom. In the sixth F site, F is bonded in a single-bond geometry to one U atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on UOF3 by Materials Project

UOF3 crystallizes in the trigonal P3m1 space group. The structure is three-dimensional. U5+ is bonded in a 7-coordinate geometry to three equivalent O2- and seven F1- atoms. All U–O bond lengths are 2.30 Å. There are a spread of U–F bond distances ranging from 2.04–2.74 Å. O2- is bonded in a 3-coordinate geometry to three equivalent U5+ and eight F1- atoms. There are a spread of O–F bond distances ranging from 2.31–2.81 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a 1-coordinate geometry to three equivalent U5+, two equivalent O2-, and six F1- atoms. There are three shorter (2.43 Å) and three longer (2.64 Å) F–F bond lengths. In the second F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent U5+, three equivalent O2-, and three equivalent F1- atoms. In the third F1- site, F1- is bonded in a single-bond geometry to one U5+, three equivalent O2-, and three equivalent F1- atoms.

36 MATERIALS SCIENCE↗