Search NASA⌕ Search

SEARCH · Search NASA

Results for “AlTlFe2F2”

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 OSTI2019

Materials Data on AlTlFe2F2 by Materials Project

TlFe2AlF2 crystallizes in the tetragonal P4/mmm space group. The structure is two-dimensional and consists of one thallium molecule and one Fe2AlF2 sheet oriented in the (0, 0, 1) direction. In the Fe2AlF2 sheet, Fe is bonded in a linear geometry to two equivalent Al atoms. Both Fe–Al bond lengths are 2.47 Å. Al is bonded in a linear geometry to four equivalent Fe and two equivalent F atoms. Both Al–F bond lengths are 1.78 Å. F is bonded in a single-bond geometry to one Al atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlTlFe2F2 by Materials Project

Fe2TlAlF2 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Fe is bonded in a 5-coordinate geometry to one Fe, two equivalent Tl, and two equivalent Al atoms. The Fe–Fe bond length is 2.64 Å. Both Fe–Tl bond lengths are 3.32 Å. Both Fe–Al bond lengths are 2.52 Å. Tl is bonded in a 4-coordinate geometry to four equivalent Fe atoms. Al is bonded in a linear geometry to four equivalent Fe and two equivalent F atoms. Both Al–F bond lengths are 1.76 Å. F is bonded in a single-bond geometry to one Al atom.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Materials Data on AlTlFe2F2 by Materials Project

Fe2TlAlF2 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Fe is bonded to three equivalent Fe, one Tl, and three equivalent Al atoms to form a mixture of distorted corner and edge-sharing FeAl3TlFe3 hexagonal pyramids. There are one shorter (2.73 Å) and two longer (2.78 Å) Fe–Fe bond lengths. The Fe–Tl bond length is 3.06 Å. There are a spread of Fe–Al bond distances ranging from 2.71–2.80 Å. Tl is bonded in a 2-coordinate geometry to two equivalent Fe atoms. Al is bonded in a linear geometry to six equivalent Fe and two equivalent F atoms. Both Al–F bond lengths are 1.82 Å. F is bonded in a single-bond geometry to one Al atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on AlTlFe2F2 by Materials Project

Computed materials data using density functional theory calculations. These calculations determine the electronic structure of bulk materials by solving approximations to the Schrodinger equation. For more information, see https://materialsproject.org/docs/calculations

36 MATERIALS SCIENCE↗