Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “CuAg3S2”

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 CuAg3S2 by Materials Project

Ag3CuS2 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four equivalent S2- atoms. There are two shorter (2.58 Å) and two longer (2.99 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six equivalent S2- atoms. There are two shorter (2.53 Å) and four longer (3.13 Å) Ag–S bond lengths. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.18 Å. S2- is bonded in a 4-coordinate geometry to seven Ag1+ and one Cu1+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CuAg3S2 by Materials Project

Ag3CuS2 crystallizes in the tetragonal I4_1/a space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.59–3.21 Å. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six equivalent S2- atoms. There are a spread of Ag–S bond distances ranging from 2.53–3.21 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.19 Å. S2- is bonded in a 1-coordinate geometry to seven Ag1+ and one Cu1+ atom.

36 MATERIALS SCIENCE↗