Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Ag-Al-Se”

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.

2 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on AlAgSe2 by Materials Project

AgAlSe2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra and corners with eight equivalent AlSe4 tetrahedra. All Ag–Se bond lengths are 2.68 Å. Al3+ is bonded to four equivalent Se2- atoms to form AlSe4 tetrahedra that share corners with four equivalent AlSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. All Al–Se bond lengths are 2.43 Å. Se2- is bonded to two equivalent Ag1+ and two equivalent Al3+ atoms to form corner-sharing SeAl2Ag2 tetrahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Al(Ag3Se2)3 by Materials Project

Al(Ag3Se2)3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.74–3.18 Å. In the second Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to three Se2- atoms. There are two shorter (2.62 Å) and one longer (2.77 Å) Ag–Se bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.67–3.37 Å. Al3+ is bonded in a tetrahedral geometry to four Se2- atoms. There are one shorter (2.38 Å) and three longer (2.41 Å) Al–Se bond lengths. There are four inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to three equivalent Ag1+ and one Al3+ atom. In the second Se2- site, Se2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. In the third Se2- site, Se2- is bonded in a 9-coordinate geometry to nine Ag1+ atoms. In the fourth Se2- site, Se2- is bonded in a 1-coordinate geometry to five Ag1+ and one Al3+ atom.

36 MATERIALS SCIENCE↗