Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cu3As”

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 Cu3As by Materials Project

Cu3As crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.42 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.49 Å. In the third Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three equivalent As3- atoms. There are a spread of Cu–As bond distances ranging from 2.47–2.64 Å. As3- is bonded in a 9-coordinate geometry to nine Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu3As by Materials Project

Cu3As crystallizes in the trigonal P-3c1 space group. The structure is three-dimensional. there are three inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded to six equivalent As3- atoms to form distorted face-sharing CuAs6 octahedra. All Cu–As bond lengths are 2.85 Å. In the second Cu1+ site, Cu1+ is bonded in a trigonal non-coplanar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.55 Å. In the third Cu1+ site, Cu1+ is bonded in a 5-coordinate geometry to one Cu1+ and four equivalent As3- atoms. The Cu–Cu bond length is 2.46 Å. There are a spread of Cu–As bond distances ranging from 2.42–2.96 Å. As3- is bonded in a 12-coordinate geometry to twelve Cu1+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cu3As by Materials Project

Cu3As is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Cu1+ is bonded in a square co-planar geometry to four equivalent As3- atoms. All Cu–As bond lengths are 2.64 Å. As3- is bonded to twelve equivalent Cu1+ atoms to form a mixture of corner and face-sharing AsCu12 cuboctahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ba(Cu3As)2 by Materials Project

BaCu6As2 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ba is bonded in a 8-coordinate geometry to eight equivalent Cu and eight equivalent As atoms. All Ba–Cu bond lengths are 3.61 Å. All Ba–As bond lengths are 3.43 Å. There are three inequivalent Cu sites. In the first Cu site, Cu is bonded in a distorted bent 120 degrees geometry to two equivalent Ba, four Cu, and two equivalent As atoms. All Cu–Cu bond lengths are 2.54 Å. Both Cu–As bond lengths are 2.44 Å. In the second Cu site, Cu is bonded in a 10-coordinate geometry to eight equivalent Cu and two equivalent As atoms. Both Cu–As bond lengths are 2.65 Å. In the third Cu site, Cu is bonded in a body-centered cubic geometry to eight equivalent Cu atoms. As is bonded in a 9-coordinate geometry to four equivalent Ba and five Cu atoms.

36 MATERIALS SCIENCE↗