Search NASA⌕ Search

SEARCH · Search NASA

Results for “K2LiAlF6”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

4 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on K2LiAlF6 by Materials Project

K2LiAlF6 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve F1- atoms to form distorted KF12 cuboctahedra that share corners with nine KF12 cuboctahedra, corners with three equivalent AlF6 octahedra, faces with seven KF12 cuboctahedra, faces with three equivalent AlF6 octahedra, and faces with four equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 12°. There are a spread of K–F bond distances ranging from 2.78–3.10 Å. In the second K1+ site, K1+ is bonded to twelve F1- atoms to form KF12 cuboctahedra that share corners with nine KF12 cuboctahedra, corners with three equivalent LiF6 octahedra, faces with seven KF12 cuboctahedra, faces with three equivalent LiF6 octahedra, and faces with four AlF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of K–F bond distances ranging from 2.85–2.95 Å. Li1+ is bonded to six F1- atoms to form distorted LiF6 octahedra that share corners with three equivalent KF12 cuboctahedra, corners with three equivalent AlF6 octahedra, faces with seven KF12 cuboctahedra, and a faceface with one AlF6 octahedra. The corner-sharing octahedral tilt angles are 8°. There are three shorter (2.00 Å) and three longer (2.19 Å) Li–F bond lengths. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, and faces with two equivalent LiF6 octahedra. All Al–F bond lengths are 1.83 Å. In the second Al3+ site, Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 8°. All Al–F bond lengths are 1.84 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four K1+, one Li1+, and one Al3+ atom. In the second F1- site, F1- is bonded in a 6-coordinate geometry to four K1+, one Li1+, and one Al3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2LiAlF6 by Materials Project

K2LiAlF6 is (Cubic) Perovskite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded to twelve F1- atoms to form KF12 cuboctahedra that share corners with nine KF12 cuboctahedra, corners with three equivalent LiF6 octahedra, faces with seven KF12 cuboctahedra, faces with three equivalent LiF6 octahedra, and faces with four equivalent AlF6 octahedra. The corner-sharing octahedral tilt angles are 2°. There are a spread of K–F bond distances ranging from 2.81–2.88 Å. In the second K1+ site, K1+ is bonded to twelve F1- atoms to form KF12 cuboctahedra that share corners with twelve KF12 cuboctahedra, faces with six KF12 cuboctahedra, faces with four LiF6 octahedra, and faces with four AlF6 octahedra. There are nine shorter (2.85 Å) and three longer (2.89 Å) K–F bond lengths. In the third K1+ site, K1+ is bonded to twelve F1- atoms to form distorted KF12 cuboctahedra that share corners with nine KF12 cuboctahedra, corners with three equivalent AlF6 octahedra, faces with seven KF12 cuboctahedra, faces with three equivalent AlF6 octahedra, and faces with four equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 11°. There are a spread of K–F bond distances ranging from 2.79–3.10 Å. There are two inequivalent Li1+ sites. In the first Li1+ site, Li1+ is bonded to six F1- atoms to form distorted LiF6 octahedra that share corners with three equivalent KF12 cuboctahedra, corners with three equivalent AlF6 octahedra, faces with seven KF12 cuboctahedra, and a faceface with one AlF6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are three shorter (2.01 Å) and three longer (2.16 Å) Li–F bond lengths. In the second Li1+ site, Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.15 Å. There are two inequivalent Al3+ sites. In the first Al3+ site, Al3+ is bonded to six F1- atoms to form AlF6 octahedra that share corners with three equivalent KF12 cuboctahedra, corners with three equivalent LiF6 octahedra, faces with seven KF12 cuboctahedra, and a faceface with one LiF6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.84 Å. In the second Al3+ site, Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 7°. All Al–F bond lengths are 1.84 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted linear geometry to four K1+, one Li1+, and one Al3+ atom. In the second F1- site, F1- is bonded in a 2-coordinate geometry to four K1+, one Li1+, and one Al3+ atom. In the third F1- site, F1- is bonded in a distorted linear geometry to four K1+, one Li1+, and one Al3+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2LiAlF6 by Materials Project

K2LiAlF6 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. K1+ is bonded in a 8-coordinate geometry to one Li1+, one Al3+, and six equivalent F1- atoms. The K–Li bond length is 2.56 Å. The K–Al bond length is 2.91 Å. All K–F bond lengths are 2.57 Å. Li1+ is bonded in a linear geometry to two equivalent K1+ atoms. Al3+ is bonded in a linear geometry to two equivalent K1+ atoms. F1- is bonded in a linear geometry to two equivalent K1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on K2LiAlF6 by Materials Project

K2LiAlF6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. K1+ is bonded to twelve equivalent F1- atoms to form KF12 cuboctahedra that share corners with twelve equivalent KF12 cuboctahedra, faces with six equivalent KF12 cuboctahedra, faces with four equivalent LiF6 octahedra, and faces with four equivalent AlF6 octahedra. All K–F bond lengths are 2.82 Å. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent AlF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Li–F bond lengths are 2.14 Å. Al3+ is bonded to six equivalent F1- atoms to form AlF6 octahedra that share corners with six equivalent LiF6 octahedra and faces with eight equivalent KF12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Al–F bond lengths are 1.84 Å. F1- is bonded in a distorted linear geometry to four equivalent K1+, one Li1+, and one Al3+ atom.

36 MATERIALS SCIENCE↗