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5 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2UF6 by Materials Project

K2UF6 crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.65 Å) and six longer (2.89 Å) K–F bond lengths. U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are three shorter (2.27 Å) and six longer (2.40 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to two equivalent K1+ and two equivalent U4+ atoms to form a mixture of corner and edge-sharing FK2U2 tetrahedra. In the second F1- site, F1- is bonded in a 1-coordinate geometry to four equivalent K1+ and one U4+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KU2F9 by Materials Project

KU2F9 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six F1- atoms. There are a spread of K–F bond distances ranging from 2.64–2.77 Å. U4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of U–F bond distances ranging from 2.29–2.44 Å. There are five inequivalent F1- sites. In the first F1- site, F1- is bonded in a linear geometry to two equivalent U4+ atoms. In the second F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent U4+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one K1+ and two equivalent U4+ atoms. In the fourth F1- site, F1- is bonded in a trigonal planar geometry to one K1+ and two equivalent U4+ atoms. In the fifth F1- site, F1- is bonded in a 3-coordinate geometry to one K1+ and two equivalent U4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3UF3 by Materials Project

K3UF3 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent K sites. In the first K site, K is bonded in a bent 120 degrees geometry to two F atoms. Both K–F bond lengths are 2.78 Å. In the second K site, K is bonded in a distorted T-shaped geometry to three F atoms. There are a spread of K–F bond distances ranging from 2.69–2.79 Å. In the third K site, K is bonded in a distorted T-shaped geometry to three F atoms. There are two shorter (2.72 Å) and one longer (2.77 Å) K–F bond lengths. U is bonded in a distorted T-shaped geometry to three F atoms. There are a spread of U–F bond distances ranging from 2.21–2.25 Å. There are three inequivalent F sites. In the first F site, F is bonded to three K and one U atom to form corner-sharing FK3U tetrahedra. In the second F site, F is bonded in a distorted T-shaped geometry to two K and one U atom. In the third F site, F is bonded to three K and one U atom to form corner-sharing FK3U tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2UF6 by Materials Project

K2UF6 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. K1+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.71–2.81 Å. U4+ is bonded in a body-centered cubic geometry to eight F1- atoms. There are four shorter (2.22 Å) and four longer (2.41 Å) U–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to three equivalent K1+ and one U4+ atom to form a mixture of distorted edge and corner-sharing FK3U tetrahedra. In the second F1- site, F1- is bonded to two equivalent K1+ and two equivalent U4+ atoms to form a mixture of distorted edge and corner-sharing FK2U2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K3UF6 by Materials Project

K3UF6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent F1- atoms. All K–F bond lengths are 2.74 Å. In the second K1+ site, K1+ is bonded in a linear geometry to two equivalent F1- atoms. Both K–F bond lengths are 2.45 Å. U3+ is bonded in an octahedral geometry to six F1- atoms. There are two shorter (2.24 Å) and four longer (2.26 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 two equivalent K1+ and one U3+ atom. In the second F1- site, F1- is bonded in a linear geometry to one K1+ and one U3+ atom.

36 MATERIALS SCIENCE↗