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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↗

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↗

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↗

Materials Data on UF3 by Materials Project

UF3 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. U3+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are two shorter (2.32 Å) and six longer (2.47 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to three equivalent U3+ atoms. In the second F1- site, F1- is bonded in a linear geometry to two equivalent U3+ atoms.

36 MATERIALS SCIENCE↗