Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “As-Br-Cd”

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 Cd2As3Br by Materials Project

Cd2As3Br crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cd2+ is bonded in a 4-coordinate geometry to three As1- and one Br1- atom. There are a spread of Cd–As bond distances ranging from 2.68–2.79 Å. The Cd–Br bond length is 2.83 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded to two equivalent Cd2+ and two As1- atoms to form distorted corner-sharing AsCd2As2 trigonal pyramids. There are one shorter (2.46 Å) and one longer (2.48 Å) As–As bond lengths. In the second As1- site, As1- is bonded to two equivalent Cd2+ and two equivalent As1- atoms to form distorted corner-sharing AsCd2As2 tetrahedra. Br1- is bonded in an L-shaped geometry to two equivalent Cd2+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cd4As2Br3 by Materials Project

Cd4As2Br3 crystallizes in the cubic Pa-3 space group. The structure is three-dimensional. there are two inequivalent Cd2+ sites. In the first Cd2+ site, Cd2+ is bonded in a rectangular see-saw-like geometry to two As+2.50- and two equivalent Br1- atoms. There are one shorter (2.60 Å) and one longer (2.62 Å) Cd–As bond lengths. There are one shorter (2.85 Å) and one longer (3.04 Å) Cd–Br bond lengths. In the second Cd2+ site, Cd2+ is bonded in a rectangular see-saw-like geometry to one As+2.50- and three equivalent Br1- atoms. The Cd–As bond length is 2.60 Å. All Cd–Br bond lengths are 2.81 Å. There are two inequivalent As+2.50- sites. In the first As+2.50- site, As+2.50- is bonded to three equivalent Cd2+ and one As+2.50- atom to form corner-sharing AsCd3As tetrahedra. The As–As bond length is 2.44 Å. In the second As+2.50- site, As+2.50- is bonded to four Cd2+ atoms to form corner-sharing AsCd4 trigonal pyramids. Br1- is bonded in a trigonal non-coplanar geometry to three Cd2+ atoms.

36 MATERIALS SCIENCE↗