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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 K3BeF5 by Materials Project

K3BeF5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.66–2.89 Å. In the second K1+ site, K1+ is bonded in a 2-coordinate geometry to ten F1- atoms. There are two shorter (2.73 Å) and eight longer (3.03 Å) K–F bond lengths. Be2+ is bonded in a tetrahedral geometry to four equivalent F1- atoms. All Be–F bond lengths are 1.57 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Be2+ atom. In the second F1- site, F1- is bonded to six K1+ atoms to form corner-sharing FK6 octahedra. The corner-sharing octahedra tilt angles range from 0–31°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2BeF4 by Materials Project

K2BeF4 crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.70–3.12 Å. In the second K1+ site, K1+ is bonded in a 1-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.68–3.11 Å. Be2+ is bonded in a tetrahedral geometry to four F1- atoms. There are a spread of Be–F bond distances ranging from 1.55–1.58 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a distorted single-bond geometry to four K1+ and one Be2+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to five K1+ and one Be2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on KBeF3 by Materials Project

KBeF3 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to eight F1- atoms. There are a spread of K–F bond distances ranging from 2.64–3.23 Å. Be2+ is bonded to four F1- atoms to form corner-sharing BeF4 tetrahedra. There are a spread of Be–F bond distances ranging from 1.52–1.61 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Be2+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to three equivalent K1+ and one Be2+ atom. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to two equivalent K1+ and two equivalent Be2+ atoms.

36 MATERIALS SCIENCE↗