Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Cs2PdI6”

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 Cs2PdI6 by Materials Project

Cs2PdI6 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Cs1+ is bonded in a distorted body-centered cubic geometry to eight equivalent I1- atoms. All Cs–I bond lengths are 4.06 Å. Pd4+ is bonded in an octahedral geometry to six I1- atoms. There are four shorter (2.66 Å) and two longer (3.23 Å) Pd–I bond lengths. There are two inequivalent I1- sites. In the first I1- site, I1- is bonded in a 1-coordinate geometry to four equivalent Cs1+ and one Pd4+ atom. In the second I1- site, I1- is bonded in a distorted linear geometry to one Pd4+ and one I1- atom. The I–I bond length is 2.88 Å.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Cs2PdI6 by Materials Project

Cs2PdI6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent I1- atoms to form CsI12 cuboctahedra that share corners with twelve equivalent CsI12 cuboctahedra, faces with six equivalent CsI12 cuboctahedra, and faces with four equivalent PdI6 octahedra. All Cs–I bond lengths are 4.16 Å. Pd4+ is bonded to six equivalent I1- atoms to form PdI6 octahedra that share faces with eight equivalent CsI12 cuboctahedra. All Pd–I bond lengths are 2.72 Å. I1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Pd4+ atom.

36 MATERIALS SCIENCE↗